C1=C=C=[C-]1	PC-id_164670822	49.008	MSNYOMBSCRPVOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000001
C1=[C+]C#C1	PC-id_86141878	49.0507	XICLTLGCAYITKO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000002
C1=[C-]C=[C-]1	PC-id_164670657	50.017	OVDZRWALMAJJDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000003
C=C1C=C=C1	PC-id_135082441	64.0853	WMFAMSVSJIFHEI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000045
C=C1CC#C1	PC-id_91807852	64.0853	DZKZGZDFNFXNJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000046
C1(CC=C1)C	PC-id_13395681	68.117	NFTHULPHIBKNNM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000078
C1CC=C1C	PC-id_137031	68.117	AVPHQXWAMGTQPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000079
C[C@H]1CC=C1	PC-id_102120831	68.117	NFTHULPHIBKNNM-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000080
[C@H]1(CC=C1)C	PC-id_57549773	68.117	NFTHULPHIBKNNM-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000081
[Si]1CC=C1	PC-id_10796698	68.1494	VXALNJQPKBUHPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000082
O=C1CN=C1	PC-id_57307431	69.062	CURKBNNCNURGPX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000083
OC1=CN=C1	PC-id_70409780	69.062	GOBMSSSHWLUUEA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000084
O=C1N=CC1	PC-id_12853312	69.062	CKLSOJRSXNQGDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000085
O=C1NC=C1	PC-id_18331069	69.062	FADJIMDKDQYNCG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000086
[O-][N+]1=CC=C1	PC-id_85749912	69.062	GDYZNGYDFQJSEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000087
C1C=CC1[NH3+]	PC-id_101362064	70.113	DWFCCOZUSUFWKW-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000119
C1SC#C1	PC-id_140411561	70.113	SATXZCKSBXFKIS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000120
C(C1=CC#C1)C	PC-id_86017169	78.1118	KECROPYGFILKCB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000183
C=C1OC=C1C	PC-id_140363680	82.1005	UWKYYKZJBJGEQR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000275
C/C=C
/OC=C1	PC-id_140363678	82.1005	NAVDWYITOGULMA-GORDUTHDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000276
C=CC1OC=C1	PC-id_143434631	82.1005	KCHYFDZUSUVMAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000277
C1=[C+]C=[C+]1	PC-id_20505707	50.0587	DWCZJVLRMOQFSZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000004
C1=CC#C1	PC-id_22408694	50.0587	AQXQCRKNTOEWBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000005
C1[C+]=C=[C-]1	PC-id_53627811	50.0587	GVAURUDYFPWJNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000006
C1C=C[B]1	PC-id_68238905	50.8749	QXBHWVMOTAVKBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000007
C1C=C=[C]1	PC-id_53627800	51.0666	JGDBTZOORZWFMG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000008
C1C=C=[C+]1	PC-id_53627812	51.0666	ISQRJSMJYHQWTQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000009
C1=C[C]=C1	PC-id_57449085	51.0666	OLBKMTKEGCNXKS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000010
C1=C[C+]=C1	PC-id_86019435	51.0666	HNEWWRFXSBQSFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000011
C1=[C-]C=N1	PC-id_154074020	52.019	UDCQEYWBVXZZPU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000012
C1=[C-]N=C1	PC-id_154092474	52.019	FBIITNCWHQBGMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000013
C1=CC=C1	CHEBI:33657,PC-id_136879	52.0746	HWEQKSVYKBUIIK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000014
C1C=C=C1	PC-id_15652289	52.0746	JIKYCIMJXFEQPG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000015
C1CC#C1	PC-id_20072734	52.0746	DRFGMUMDUXDALH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000016
[C-]1=C[CH+]C1	PC-id_100973820	52.0746	WWDHTWDJKDCXBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000017
[CH]1C=C[CH+]1	PC-id_101017407	52.0746	ZKVHJXOYTBTTDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000018
N1=CC=C1	PC-id_20185374	53.0626	LKSPYOVNNMPMIZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000019
[13CH]1=CC=C1	PC-id_100958617	53.0672	HWEQKSVYKBUIIK-OUBTZVSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000020
[2H]C1=CC=C1	PC-id_100958616	53.0807	HWEQKSVYKBUIIK-MICDWDOJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000021
[C-]1=CCC1	PC-id_100985203	53.0825	XUZNJNLJHBFSNT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000022
C1C[C+]=C1	PC-id_20517157	53.0825	FJENHLKDNJIZJE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000023
C1C[C]=C1	PC-id_57417113	53.0825	BDEQYEGJAYAKID-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000024
C1[CH]C=C1	PC-id_57419185	53.0825	BKYGJFIVXHTOPC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000025
C1[CH+]C=C1	PC-id_85881093	53.0825	IERSMNGTVULBPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000026
[CH-]1CC=C1	PC-id_100985204	53.0825	KRUGSCOOZPPXAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000027
[13CH]1=[13CH]C=C1	PC-id_100958618	54.0599	HWEQKSVYKBUIIK-ZDOIIHCHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000028
C1C[C]=N1	PC-id_102010973	54.0706	OSBWJJUHWFUJMY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000029
[N-]1CC=C1	PC-id_19351597	54.0706	MAPHPMMQFZADRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000030
[NH+]1=CC=C1	PC-id_57466076	54.0706	LKSPYOVNNMPMIZ-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000031
C1(=C(C=C1)[2H])[2H]	PC-id_57459296	54.0869	HWEQKSVYKBUIIK-QDNHWIQGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000032
C1CC=C1	PC-id_69972,ZINC22_256080694,CHEBI:51206	54.0904	CFBGXYDUODCMNS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000033
[C-]1=CCO1	PC-id_100985201	55.0553	KIDODPNUVBBTAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000034
[cH-]1cco1	PC-id_100985202	55.0553	NXVGUBDARQCUFH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000035
[O+]1=CC=C1	PC-id_14150588	55.0553	NGBIVHSSTHBRRB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000036
N1=CCC1	PC-id_138831	55.0785	PTLWKRLAWHBMLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000037
N1CC=C1	PC-id_19351598	55.0785	QABCDCRBWNTCGD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000038
C1OC=C1	CHEBI:51195,PC-id_11970569	56.0633	CRYATLIDHPPXDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000039
[NH+]1=CCC1	PC-id_23175337	56.0864	PTLWKRLAWHBMLM-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000040
[O+]1=CCC1	PC-id_71444201	57.0712	KDOXCDMSPZTGGM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000041
C1C(=C[B]1)[B]	PC-id_86032517	60.6779	JZWQJQFBSVKEBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000042
C1C(=[CH+])[C+]=C1	PC-id_85536719	64.0853	FRVCORPXLAMSOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000043
CC1=C=C=C1	PC-id_101397739	64.0853	ZKTIZWDONSBFMK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000044
C1(=C[C+]=C1)C	PC-id_85592584	65.0932	PUEBCJVABQJFCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000047
C1C(=C)[C+]=C1	PC-id_85536720	65.0932	HUNKKUWULWEYES-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000048
C1(=C)[CH+]C=C1	PC-id_85592587	65.0932	OPCMKZNEYBDJND-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000049
C=C1[CH]C=C1	PC-id_101068244	65.0932	SRTBKAGEZNLWHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000050
OC1=BC=C1	PC-id_139891650	65.8663	FXCUFUYIEFPGKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000051
CC1=CN=[C-]1	PC-id_154192660	66.035	JDFMZBBNPGFDQG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000052
C1CC=C1[CH]	PC-id_59265071	66.1011	PXCHVOURUDXAAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000053
C1(=CC=C1)C	PC-id_12724581	66.1011	UBCRMVQTWAMTCQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000054
C1(CC#C1)C	PC-id_22395534	66.1011	VIFGMWVKOYGUHK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000055
C1C(=C)C=C1	PC-id_12732007	66.1011	AQSOFHKMDGNCDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000056
CC1=C=CC1	PC-id_143553840	66.1011	LDANQHLSWFCIPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000057
C1=C(C=N1)[NH-]	PC-id_154460769	67.03	WUXUKAMOJGXUNF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000058
C1=C([C-]=N1)N	PC-id_153926180	67.03	OOFVYGKKBJIZQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000059
N1C#CC1=O	PC-id_142662798	67.0461	DMBUVVBIZISQAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000060
O=C1C=C=N1	PC-id_141046382	67.0461	PFEICPXZEMQFEZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000061
C1[C]=CC1=O	PC-id_101678019	67.066	XVHVVVBZWLKEIP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000062
N1=C(C=C1)C	PC-id_57494212	67.0892	WQTPSLUCSMVCGF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000063
N1=CC(=C1)C	PC-id_58230855	67.0892	IZTNGBMQWNQFNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000064
NC1=CC=C1	PC-id_55289916	67.0892	CASROTSQANASDO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000065
[CH2]C1CC=C1	PC-id_101937939	67.1091	QDMILTAUQGYBJZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000066
[Si]1=CC=C1	PC-id_21863102	67.1414	HDECGXIOVZYHON-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000067
C1=C(C=N1)[O-]	PC-id_152756594	68.014	GOBMSSSHWLUUEA-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000068
C1=C([C-]=N1)O	PC-id_154443529	68.014	RMQNWTGLHHBOCM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000069
C1C#CC1O	PC-id_154002424	68.026	ODVVPIPNHSORIR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000070
CN1[CH-]C=C1	PC-id_149152231	68.051	IMJVKEFOIOVDBI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000071
C1C=CC1=O	PC-id_141691,EMOLS-id_53846231	68.074	DFLRGCFWSRELEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000072
O1C(C)C#C1	PC-id_21270654	68.074	FWGCQRZAKVTJSV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000073
O1C(=C)C=C1	PC-id_85956890	68.074	WAIMKWXUZUCNDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000074
[O-]C1=CC[CH+]1	PC-id_101987931	68.074	SVJLWELXXURSAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000075
N1=CC(=C1)N	PC-id_21624017	68.0773	FLOBMSSNZFSWCC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000076
N1=C(N)C=C1	PC-id_55288848	68.0773	BNPWVSPXWBKGBG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000077
C1C=C([CH+]1)O	PC-id_136865523	69.0819	SVJLWELXXURSAN-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000088
[O-]C1=CCC1	PC-id_102245939	69.0819	FOTDHUVOUZZTTB-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000089
[O]C1=CCC1	PC-id_53630438	69.0819	AALBAFHYFNQXNT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000090
C1=CC(C1)N	MCULE-8609381018,EMOLS-id_106524742,PC-id_90805566	69.1051	DWFCCOZUSUFWKW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000091
CC1=CNC1	PC-id_142827553	69.1051	WKSXYWBWHUVJHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000092
N1=CCC1C	PC-id_20662576	69.1051	KGBQCZDKFCHTFA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000093
N1=CC(C1)C	PC-id_20662581	69.1051	AILIBMITKMXLIS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000094
N1(CC=C1)C	PC-id_21134129	69.1051	KOSVCVWOZJOYNY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000095
N1=C(CC1)C	PC-id_22973242	69.1051	ZJJXXEQBALTNFN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000096
N1CC=C1C	PC-id_70670749	69.1051	FQCIFGDERGRIQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000097
N1=CC[C@H]1C	PC-id_69257357	69.1051	KGBQCZDKFCHTFA-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000098
NC1=CCC1	PC-id_22024724	69.1051	LOGBFBDSTMGOTF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000099
[Si]1=CCC1	PC-id_22123662	69.1573	GPYSWSYPQIBYAX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000100
C1=C([C-]=N1)F	PC-id_154466776	70.01	FCZYMZAZEXNYAA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000101
[2H]C1=CNC1=O	PC-id_153762052	70.028	FADJIMDKDQYNCG-MICDWDOJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000102
P1=CC=C1	PC-id_53948524	70.0297	JCSLIZXZXSGYEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000103
O1C(=O)C=C1	PC-id_17796899	70.0468	ODEIUYRZRJLYGF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000104
OC1OC#C1	PC-id_145730394	70.0468	LEOGQCMDIWSFQF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000105
FC1=CC=C1	PC-id_14795066	70.065	QRQFNCYADNJFAA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000106
C1C=[NH+]C1=O	PC-id_102173236	70.07	CKLSOJRSXNQGDN-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000107
O=[N+]1CC=C1	PC-id_66872941	70.07	GWKCHDXBCAPQJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000108
C[C@H]1OC=C1	PC-id_122402048	70.0898	MIGSSYNIJNJIEV-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000109
O1CC(=C1)C	PC-id_20526066	70.0898	WZXJVSMLELGKTQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000110
O1CC=C1C	PC-id_22498080	70.0898	RYLMMWCJNLTVEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000111
O1C(C=C1)C	PC-id_69599682	70.0898	MIGSSYNIJNJIEV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000112
OC1=CCC1	PC-id_14118362	70.0898	FOTDHUVOUZZTTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000113
OC1CC=C1	PC-id_14420645	70.0898	VFOIXRFJKNUPPD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000114
O[C@H]1CC=C1	PC-id_57549756	70.0898	VFOIXRFJKNUPPD-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000115
O[C@@H]1CC=C1	PC-id_57549762	70.0898	VFOIXRFJKNUPPD-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000116
N1=C(N)CC1	PC-id_70103982	70.0931	IQHOJENGXUFRAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000117
NN1CC=C1	PC-id_145845239	70.0931	DKEZWHHXBMFODN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000118
[N+]1(=CCC1)C	PC-id_53851271	70.113	RSKDXGXYKAGACB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000121
C1[SiH2]C=C1	PC-id_101909859	70.1652	WGDQHWCEDNDOFG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000122
[SiH]1=CCC1	PC-id_71336002	70.1652	IIXDIWQJYPZHDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000123
C1=CC=[PH+]1	PC-id_102305039	71.0376	JCSLIZXZXSGYEL-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000124
FC1=CN=C1	PC-id_141523324	71.0531	BZSPNESJSITQBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000125
C1C(=O)C=[O+]1	PC-id_134850102	71.0547	HYAXWTBXAFPFGU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000126
[O-]C1=CCO1	PC-id_101182010	71.0547	OJCCLOSTDYMGOA-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000127
C1C[NH+]=C1N	PC-id_153753398	71.06	IQHOJENGXUFRAG-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000128
C1C=[C+]C1F	PC-id_85872385	71.073	TVHPMDSEDWBKOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000129
NC1OC=C1	PC-id_140316883	71.0779	ZKKJSXNOGORJRM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000130
O1CC(=C1)N	PC-id_68223783	71.0779	DOTAOUQNDCCEMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000131
OC1=CNC1	PC-id_67973486	71.0779	YLCYAEZWWAPDCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000132
OC1CN=C1	PC-id_68505089	71.0779	LKZMIRBJQPIUNL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000133
[O+]1=C(CC1)C	PC-id_85562314	71.0978	HYWXJKNNVKKAOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000134
[S+]1=CC=C1	PC-id_60209197	71.1209	KICHFLVETGUBMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000135
S1C[C+]=C1	PC-id_86212087	71.1209	SBCZWOFLJPQKGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000136
P1=CCC1	PC-id_14973798	72.0456	ZMVNDSAMUMOMJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000137
P1CC=C1	PC-id_16706833	72.0456	UJPZNVXMZCSJLL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000138
O1CC(=C1)O	PC-id_21185054	72.0627	GQUZEDUYLUNDJI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000139
O1CC=C1O	PC-id_67025051	72.0627	OJCCLOSTDYMGOA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000140
FC1CC=C1	PC-id_11018801	72.0809	XYJLZSYYXVMYRV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000141
FC1=CCC1	PC-id_19376077	72.0809	RLMMCBZQTSRCHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000142
F[C@H]1CC=C1	PC-id_100918453	72.0809	XYJLZSYYXVMYRV-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000143
S1CC=C1	PC-id_3415867	72.1289	HPINPCFOKNNWNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000144
FC1=CNC1	PC-id_141557845	73.069	IZELSFBIAPKPEE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000145
FC1CN=C1	PC-id_69416044	73.069	QZZGPNBFSWUJCO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000146
FC1=CCO1	PC-id_54564557	74.0537	ZSXDGVXEQVUMLV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000147
FC1=COC1	PC-id_141330894	74.0537	WVUABAURPKJVKK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000148
C#CC1=CC=C1	PC-id_102253243	76.096	XFHXCHFBSJDBGT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000149
C1=C([C-]=N1)C#N	PC-id_154461461	77.015	LVNPWIUZNVPLTN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000150
[CH]1C(=C[CH+]1)C#N	PC-id_101017406	77.084	MTPRAHLQZCMBIO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000151
N1=C(C=C1)C#C	PC-id_17803847	77.084	MBOWJSMXUIAKFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000152
N#CC1=CC=C1	PC-id_101482689	77.084	VGZONCRDMHXKID-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000153
[CH]1C=CC1C#C	PC-id_101505723	77.1039	FFTNDMLLFVGBCT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000154
[CH]=C1C=CC1=C	PC-id_101505725	77.1039	SLAWQJSYOZLKMY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000155
BC1=C(CC1)B	PC-id_101007346	77.7283	DXPVKWLUXSGNKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000156
O=CC1=BC=C1	PC-id_140982578	77.877	MEGONNQURPZOST-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000157
C#[N+]C1CC#C1	PC-id_148835988	78.034	DFCPZNXWOPRAOL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000158
O=C1[C-]=NC1=[C+]	PC-id_101204505	78.0489	OIHIHFHXOCQLDG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000159
N1=C(C=C1)C#N	PC-id_19049909	78.0721	KPMQAAGZEHZCQN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000160
N1=CC(=C1)C#N	PC-id_67534820	78.0721	VHBOMAJHMCGGIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000161
C123C(C1)C2=CC3	PC-id_86017173	78.1118	OAWMDCSKOBHPKF-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000162
C123C(C1)(C2)C=C3	PC-id_86250184	78.1118	FUVYUALQNJEZHS-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000163
C123C(C1)C(=C2)C3	PC-id_86017152	78.1118	MVQRZMIBUOCXPK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000164
C123C(C1C=C2)C3	PC-id_86017164	78.1118	FCOOWYQLYYNTSM-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000165
C123C(C1)C=C2C3	PC-id_86017177	78.1118	ZHWVSVPBSRSYHO-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000166
C123C(=C(C1)C2)C3	PC-id_86017160	78.1118	JMZXDERVARCAST-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000167
C12C3C(C1=C3)C2	PC-id_86017133	78.1118	KDEIUNRLONAJRC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000168
C12C3C(=C1C3)C2	PC-id_86017136	78.1118	QKXUROCDFKTPMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000169
C1C=C2C31C[C@@H]23	PC-id_141929055	78.1118	OAWMDCSKOBHPKF-ZBHICJROSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000170
C1(=CC=C1)C=C	PC-id_71380677	78.1118	KZDURZABPHPZHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000171
C1C(=C=C1)C=C	PC-id_86017148	78.1118	FSHZYEAYDCOLDA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000172
C1CC=C1C#C	PC-id_86017151	78.1118	IOLBCXKHPWXHEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000173
C1(CC#C1)C=C	PC-id_86017156	78.1118	QXKIJYDBGOBWCG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000174
C1(C=C=C1)C=C	PC-id_86017163	78.1118	KGNBWSZYIQAJFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000175
C1(=C=CC1=C)C	PC-id_86017172	78.1118	BLFQSDIZIROLBY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000176
C1(=C(C)C#C1)C	PC-id_58307841	78.1118	FJLREOLTRMUCLH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000177
C1(=C)C(=C)C=C1	PC-id_138446	78.1118	WHCRVRGGFVUMOK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000178
C1C(=C=C)C=C1	PC-id_86017145	78.1118	FLPDORWCAUCCTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000179
C1(=CC)C=C=C1	PC-id_86017159	78.1118	ZJKWYXCNFPBXDG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000180
C1(=CC)CC#C1	PC-id_86017166	78.1118	LHTOXWFCAFWBAC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000181
C1(=C)[CH+]C(=C)[CH+]1	PC-id_85532890	78.1118	LIHKNZHJAQUGEU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000182
C1C2C13C2C=N3	PC-id_163659383	79.042	ITBNWRARAOBIIY-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000184
C1C2=CN3C12C3	PC-id_163992147	79.042	UBOKFLALUGCZCC-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000185
C1=CC(=C1)C=N	PC-id_147130035	79.042	BQAMZGBRZYCYRC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000186
CC1=C=C=C1N	PC-id_148057116	79.042	JHMRECISQFZUKQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000187
C=CC1C#CN1	PC-id_164068573	79.042	WNCNIBWSDFWJIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000188
O=C1C=NC1=[C+]	PC-id_101204506	79.0568	BDPJNPZCFDVIBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000189
C1C=CC1C#N	PC-id_86152548	79.0999	ZLKJLNOVTHAYPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000190
C1C(C=N1)C#C	PC-id_140261872	79.0999	OHIZYXABNIOWGH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000191
C=CC1=NC=C1	PC-id_142761554	79.0999	OTRNRDXZHOXZFB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000192
N#CC1=CCC1	PC-id_13999396	79.0999	XKONTJWLWIJHHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000193
CC1=C([C-]=C1)C	PC-id_90785359	79.1198	YZQAJCDRQBMRAD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000194
CCC1=C[C-]=C1	PC-id_90694445	79.1198	FWOUCBWTPYGRFL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000195
C=C[C+]1CC=C1	PC-id_91237416	79.1198	WWNDZAVOZKARIP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000196
[CH2+]CC1CC#C1	PC-id_91294462	79.1198	IYNSXLVSJHOIBK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000197
C1=C([C-]=N1)C=O	PC-id_153719674	80.014	OTLQLKSGVGFKAY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000198
C1C#CC1C=O	PC-id_154179494	80.026	KHSAJKCENTWJHI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000199
C1C=CC1=[N+]=[N-]	PC-id_162147225	80.037	ZKSIZCJQUKSPOW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000200
C1=CC(=N)C1=N	PC-id_163942313	80.037	RSBJPJWYEOCQNR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000201
O=C1C(=O)C#C1	PC-id_53630811	80.0416	VTWCFHDJTOUGSY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000202
C1C2[N+]13C2C=C3	PC-id_148029641	80.049	HSXVZFGYRJCOKK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000203
C1C=CC1C#[NH+]	PC-id_164159131	80.049	ZLKJLNOVTHAYPM-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000204
C=C[C@@H]1CC#[N+]1	PC-id_163885349	80.049	FPRIEHMZULPWIB-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000205
CC1=C(N=[C-]1)C	PC-id_153826401	80.051	JIWYSCOYTHANKO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000206
CCC1=CN=[C-]1	PC-id_154212309	80.051	JEGIUAKBBFAWOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000207
CCC1=NC=[C-]1	PC-id_153804647	80.051	SMGAFLKFAUWFMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000208
O=C1C#CC1[NH]	PC-id_101204503	80.0648	PSMGSCKXDFNKTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000209
C=C1C=CC1=O	PC-id_319101,LI_220094,CoCoCo_5562073,NSC260621	80.0847	PHGJRTYYDHBDDD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000210
[O-]C1=CC(=C)[CH+]1	PC-id_102172452	80.0847	NQGUIIRKWPAJTL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000211
O=C=C1CC=C1	PC-id_85640069	80.0847	FEWQWVKYZVOEAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000212
C1NC=C1C#N	PC-id_145525538	80.088	UAPUQJLYCXPEDE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000213
C1(=C(C(=C)C1=C)[2H])[2H]	PC-id_134981974	80.1242	WHCRVRGGFVUMOK-NMQOAUCRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000214
C1(CC=C1)C[CH]	PC-id_59269749	80.1277	NSVZLFWBWIIOOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000215
C1CC=C1C=C	PC-id_12250945	80.1277	IFXGRVXPSNHLNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000216
C1(=CC(=C1)C)C	PC-id_12750005	80.1277	ADQGKIKNUMJFSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000217
C1C(=CC1=C)C	PC-id_139881	80.1277	ZYLHKEUGNNCNTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000218
C1C(=C=C1C)C	PC-id_20708982	80.1277	OVWCCRUQBGWXKC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000219
C1(CC=C1)C=C	PC-id_556371	80.1277	WYQCWZUUCJVDGE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000220
C1(=CC=C1C)C	SPECS-id_AS-970/QB07723,PC-id_54238081	80.1277	QNZUSULCBOVZRK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000221
C1(C(C)C#C1)C	PC-id_57815528	80.1277	CSXUFFZNNIVUEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000222
C=C1CC=C1C	PC-id_119097767	80.1277	OYVCGFYKIDYMBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000223
CC1(CC#C1)C	PC-id_90859744	80.1277	ALGVYHGXYUBEJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000224
C/C=C
/CC=C1	PC-id_144028251	80.1277	CKDGYICMQAWNME-QHHAFSJGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000225
CCC1=CC=C1	PC-id_90694446	80.1277	CYBQYWFTZZSKLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000226
CCC1CC#C1	PC-id_91180568	80.1277	HDCKTFSGLOLLTR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000227
C1=C(C=N1)C=O	PC-id_148672317	81.021	NPYSAQKCSSYXNP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000228
CNC1=CN=[C-]1	PC-id_154443527	81.046	VIKFHCFUVDQASM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000229
C
C=C/C1=C/N	PC-id_147295105	81.058	CUYSFGYBTMMTSL-PLNGDYQASA-N	00001100000000000000000000000000000000000000000000000000	06-01-000230
C1=CC(=C1)CN	PC-id_148856062	81.058	OYJOMXFAXGIVHX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000231
CC1C#CC1N	PC-id_148049284	81.058	JGACCLKYBOFXRQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000232
CC1C#CN1C	PC-id_153197665	81.058	WJHHWCWGLFCQHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000233
C=CC1=CCN1	PC-id_148165184	81.058	KBLQZPZNLNGTDR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000234
CCC1=C=NC1	PC-id_146751140	81.058	RNIGHVUQCNTORF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000235
C=CC1CN=C1	PC-id_163819654	81.058	NUHIDHIXJWOFFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000236
C[C@@H]1C#CN1C	PC-id_164063917	81.058	WJHHWCWGLFCQHV-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000237
C=CN1CC=C1	PC-id_164028274	81.058	VFPJDOFQFRAFOD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000238
C=NC1CC=C1	PC-id_149051071	81.058	QJVJRCDUNXFIBU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000239
CNC1CC#C1	PC-id_149183069	81.058	XBILWEUEZOGHAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000240
C=NC1=CCC1	PC-id_154535056	81.058	HGIPWFMDDPBXFX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000241
C1=CC(=O)C1=N	PC-id_91528071	81.0727	ZWDWVUMVGCLTJD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000242
O=CC1=NC=C1	PC-id_21623160	81.0727	IWSAUCAGOGYSGA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000243
O=C1C(=C)C=C1[2H]	PC-id_56648349	81.0908	PHGJRTYYDHBDDD-WFVSFCRTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000244
C=C1C=C([CH+]1)O	PC-id_136802365	81.0926	NQGUIIRKWPAJTL-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000245
C=C1C=CN1C	PC-id_144437197	81.1158	ZKHZDQFEGANVBX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000246
CCC1=CN=C1	PC-id_142357125	81.1158	BFVPKSJVEJDJQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000247
CNC1=CC=C1	PC-id_144517865	81.1158	OAGXUAMXVPFLMH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000248
N1=C(C=C1C)C	PC-id_59593609	81.1158	CFKSMORLXDDNRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000249
N1=C(C(=C1)C)C	PC-id_70100175	81.1158	GBEFOHWEAHSSTC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000250
N1=C(CC)C=C1	PC-id_67261484	81.1158	BXMYKIRTJVVXSN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000251
NC1=C(C=C1)C	PC-id_53952823	81.1158	JFPTXGNKFSMOFJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000252
C1C(=CC1)C[CH2]	PC-id_57422505	81.1357	FMHIWZXWEOQMND-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000253
CC1=CC[C]1C	PC-id_143325741	81.1357	QEARNPPQBQPNJN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000254
CC1C=C[C+]1C	PC-id_91248553	81.1357	OPMJJYOBCRGFRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000255
CC1=CC[C+]1C	PC-id_91424564	81.1357	SDSAIYKTUBDNAL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000256
[Si]C1CC=C1	PC-id_85783512	81.168	RDBOJMGRYGJUSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000257
C1=C([C-]=N1)CO	PC-id_152756596	82.03	BPJKYKMGWOFKCJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000258
CC1=C(C=N1)[O-]	PC-id_153779611	82.03	DUDLXCWXWYERBM-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000259
CC1=C([C-]=N1)O	PC-id_153878173	82.03	OYUYLGNSSVYPTN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000260
COC1=CN=[C-]1	PC-id_154483456	82.03	ZSVJESMGUPPBHB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000261
C1CC(=C1)N=N	PC-id_163730378	82.053	KZBPPXSNKXDAQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000262
CN1C=CC1=N	PC-id_164053349	82.053	WALXMOLOHUWWAK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000263
CNC1=CN=C1	PC-id_154443528	82.053	SXJGOCSPBSGBJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000264
CNN1CC#C1	PC-id_163690070	82.053	JSFOKLWDJSSHRF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000265
C1(=O)C=CC1=O	PC-id_141753,MCULE-1634037404	82.0575	RGBVWCQARBEPPW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000266
[O-]C1=CC(=O)[CH+]1	PC-id_102172451	82.0575	RWXDMNZOSJNSFT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000267
[O-]C1=C([O-])C=C1	PC-id_20726434	82.0575	RRZFQUVXBAOKCF-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-000268
C[N+]1(CC#C1)C	PC-id_147824855	82.065	HPXZOFZKBDFJRR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000269
CC1([CH-]N=C1)C	PC-id_163644824	82.066	IHIVNPDVZJEGCB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000270
CCN1[CH-]C=C1	PC-id_153765162	82.066	ZSVPLJMWONBAMJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000271
C1C=[C+]C1N=O	PC-id_85539524	82.0807	OSGGLTSLXHLPQC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000272
C1C#CC1CO	PC-id_91429422	82.1005	JZBIACLKPGKHIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000273
C1C=C[C@H]1C=O	PC-id_100918458	82.1005	ZPOUJLCFWTUNTQ-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000274
O1C(=CC1=C)C	PC-id_85956894	82.1005	YBAKFINPHJWVEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000278
O1C(CC)C#C1	PC-id_21270659	82.1005	JTTDHQIQMGGBFD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000279
O=C1CC(=C1)C	PC-id_13040709	82.1005	GGBRZAUSFUAYIP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000280
O=C1CC=C1C	PC-id_15875703	82.1005	GMBGQPLVYWWLSG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000281
O(C1=CC=C1)C	PC-id_85774661	82.1005	VDCJFYBVPIYDMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000282
O=CC1CC=C1	PC-id_13815417	82.1005	ZPOUJLCFWTUNTQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000283
O=CC1=CCC1	PC-id_21917482	82.1005	JKSNROQTUQPFQT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000284
C1CN=C1C=N	PC-id_91006974	82.1038	KOBFYYOGICJIKP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000285
CC1=CN=C1N	PC-id_91108234	82.1038	NHTWQYFAKMFUKO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000286
NC1=CC=C1N	PC-id_54195301	82.1038	PLJKOBSHZCQTKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000287
NC1=CC(=C1)N	PC-id_55290476	82.1038	JSFWDPKOKTUQEG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000288
C1(C(C=C1)C)C	PC-id_13395683	82.1436	SUGCEFZIYJHZAA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000289
C1CC(=C1C)C	PC-id_137043	82.1436	PUAKTHBSHFXVAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000290
C1(CC(=C1)C)C	PC-id_14141626	82.1436	NMEAQEWKOFLHNI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000291
C1C(=CC1)CC	PC-id_15587831	82.1436	RLCLUEAQYRHNDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000292
C1(CC=C1)CC	PC-id_22507468	82.1436	LDPRWJVPCXEVEY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000293
C1(CC=C1)(C)C	PC-id_548850	82.1436	ZLUNIANKFULIMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000294
C1(CC=C1C)C	PC-id_59729631	82.1436	PLUQNMROKPQSCZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000295
C[C@H]1C=C[C@@H]1C	PC-id_101542715	82.1436	SUGCEFZIYJHZAA-WDSKDSINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000296
[C@@H]1(CC(=C1)C)C	PC-id_58737300	82.1436	NMEAQEWKOFLHNI-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000297
[C@H]1(CC(=C1)C)C	PC-id_58737310	82.1436	NMEAQEWKOFLHNI-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000298
[C@@H]1([C@@H](C=C1)C)C	PC-id_13395682	82.1436	SUGCEFZIYJHZAA-PHDIDXHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000299
[C@@H]1([C@H](C=C1)C)C	PC-id_13395684	82.1436	SUGCEFZIYJHZAA-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000300
[Si]1(=CC=C1)C	PC-id_67426150	82.1759	XERYTZVEHBLRLG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000301
C1=[C+]C(=O)C1O	PC-id_154277728	83.013	KSDBGTNNVBZCEO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000302
C1=C(C=N1)CO	PC-id_152756597	83.037	IZMIRCZTMXWHKM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000303
C1=CN=C1CO	PC-id_154558062	83.037	HBBOOKXZJPIGCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000304
CC1=NC=C1O	PC-id_153779612	83.037	DUDLXCWXWYERBM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000305
COC1=CN=C1	PC-id_154483457	83.037	MLMQWJXEPOCESH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000306
P1=C[CH+]C1=C	PC-id_85993999	83.0483	AXQXFBHNZMEKIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000307
C1=C([CH+]C1=O)O	PC-id_136802364	83.0654	RWXDMNZOSJNSFT-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-000308
OC1=[C+]C(=O)C1	PC-id_140346438	83.0654	FXUCTNRUHCVQSG-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000309
[O-]C1=CC(=O)C1	PC-id_18981547	83.0654	IHXWECHPYNPJRR-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000310
CC1(CC=C1)N	PC-id_148178508	83.073	KDXTVOHTJKLAOU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000311
CC1CC(=C1)N	PC-id_148386708	83.073	LPEMIUQXBSUWBL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000312
CC1=CCC1N	PC-id_148895150	83.073	PFSGAYBOQHGKJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000313
CC1CC=C1N	PC-id_154530089	83.073	HQNBOJANRVRVAH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000314
CC1=CC(C1)N	PC-id_154554347	83.073	FKNFZGGXKYQXFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000315
CC1=CCN1C	PC-id_148749022	83.073	OEIAWLSFHGJRST-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000316
CC1(CN=C1)C	PC-id_153651066	83.073	DEUOLMGRUDFTKV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000317
CCC1=CCN1	PC-id_147262082	83.073	VVCKJKHGVOBPOX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000318
CCC1CN=C1	PC-id_154545162	83.073	XJQBTATUFQXFAF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000319
CCC1=NCC1	PC-id_153679734	83.073	VWSHORDBCNRQOE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000320
C[C@H]1CC=C1N	PC-id_164996658	83.073	HQNBOJANRVRVAH-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000321
C[C@@H]1C(C=N1)C	PC-id_163664333	83.073	IXCGUZJLDKGIMB-BRJRFNKRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000322
C[C@@H]1CN=C1C	PC-id_163800525	83.073	NEOGNDSSEPGLOY-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000323
C1CC(=C1)N=O	PC-id_91512406	83.0886	VHECDJXCYIRYRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000324
O1C(=CC1=C)N	PC-id_85781666	83.0886	CWQUODDOJYPNKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000325
O=C1CC(=C1)N	PC-id_85956888	83.0886	IPIULSXFLWNPOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000326
O=C1NC=C1C	PC-id_22937509	83.0886	SFAUCYMCCYHMSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000327
O(C1=NC=C1)C	PC-id_67920368	83.0886	IHLDRCXZWBYZJP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000328
ON=C1CC=C1	PC-id_141542753	83.0886	DSHVEASYASDNPZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000329
C1C(=N)C(=N1)N	PC-id_91175402	83.0919	GJRSYCOBPLHBAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000330
N1=C(N)C=C1N	PC-id_55291165	83.0919	WTUAFBFWSZMQOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000331
C1CC(=C1)CN	PC-id_91306921	83.1317	KDYCEANSZSUKAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000332
CC1CN=C1C	PC-id_90877898	83.1317	NEOGNDSSEPGLOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000333
CC1(C)NC=C1	PC-id_142930421	83.1317	XAORZYJAYBYHSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000334
CCC1=CNC1	PC-id_141303983	83.1317	GPTKOWSADQYTDA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000335
N1=C(CC1C)C	PC-id_23597593	83.1317	LBKQKYIEZWHZNQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000336
N1(C(C=C1)C)C	PC-id_58375745	83.1317	MDKDQQALXYOTJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000337
N1=CC(C1C)C	PC-id_58473102	83.1317	IXCGUZJLDKGIMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000338
N1(CC(=C1)C)C	PC-id_68070123	83.1317	ILMAJCXRLQZSPS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000339
N1(CC=C1)CC	PC-id_70150335	83.1317	VVBMDAFAELDLHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000340
N1C(CC)C=C1	PC-id_68258215	83.1317	SMFDMBSTNDUOLE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000341
NCC1CC=C1	MCULE-9758990518,EMOLS-id_106524739	83.1317	VPHKGCJQKBCQHF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000342
C1=CN(C1=O)[O-]	PC-id_163549828	84.009	FYUZKOGYDBWNPH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000343
C1C(=[C+]C1=[OH+])O	PC-id_154449805	84.02	FXUCTNRUHCVQSG-UHFFFAOYSA-P	00001100000000000000000000000000000000000000000000000000	06-01-000344
C1=[C+]C(=[OH+])C1O	PC-id_154277727	84.02	KSDBGTNNVBZCEO-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000345
C
C=C/C1=C/F	PC-id_148506340	84.038	MLQPDRXJFIPQCE-PLNGDYQASA-N	00001100000000000000000000000000000000000000000000000000	06-01-000346
C
C=C/C1=CF	PC-id_163777401	84.038	MLQPDRXJFIPQCE-SNAWJCMRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000347
C1C=C=C1CF	PC-id_164063226	84.038	WITFKRHTSWXKCT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000348
CC1([CH-]N=C1)O	PC-id_153930311	84.045	AICMWOCPWCVBAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000349
[O-]C1=NC(=O)C1	PC-id_58931941	84.0535	WBTCPVUCKKBWBS-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000350
P1=CCC1=C	PC-id_85994000	84.0563	JGWQROFUJMZIKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000351
CNC1CN=C1	PC-id_161060637	84.069	UDIPPTUWKGRAMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000352
C1C(=CC1=O)O	HMDB0245898,PC-id_11829353	84.0734	IHXWECHPYNPJRR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000353
C1#CC(C1O)O	PC-id_88197923	84.0734	RLIWAIQMHXYOHB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000354
O1CC(=C1)C=O	PC-id_54461894	84.0734	KOGJQTZLBWXZBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000355
O1CC=C1C=O	PC-id_57005571	84.0734	XEVCOGLJFRANTM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000356
O1C(=CC1=O)C	PC-id_12199890	84.0734	HDGGSULDULCOII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000357
O1C(=C)C=C1O	PC-id_85956896	84.0734	WGZWXDSRWQLSHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000358
O1C(=O)C(=C1)C	PC-id_17810359	84.0734	HHMLHPKUZYZZPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000359
OC1C(=O)C=C1	PC-id_20142063	84.0734	KWXBITOMTXWUGG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000360
OC1=C(O)C=C1	PC-id_68114107	84.0734	RRZFQUVXBAOKCF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000361
O=C1NC=C1N	PC-id_67763453	84.0767	DXRHOMJBURPNGA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000362
O=C1NC(=C1)N	PC-id_70091031	84.0767	SVHUEIXQHISXNA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000363
O=NC1N=CC1	PC-id_57316087	84.0767	PUPXXHSQBGCJPZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000364
C[NH2+]C1=CCC1	PC-id_149171776	84.081	WZEVDMOPMKYJBM-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000365
CC1=CC(C1)O	PC-id_91357068	84.1164	XILHUPOOIGSHDC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000366
CC1=C(CO1)C	PC-id_140351267	84.1164	DJNQORSBOQMRCN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000367
CC1(C)OC=C1	PC-id_122402049	84.1164	ASGWVWRPIPJIRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000368
CCC1=COC1	PC-id_140756837	84.1164	VXMUNGNSISPSOJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000369
CCC1OC=C1	PC-id_140343326	84.1164	GZSHFIZYFQWWSM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000370
O1C(C(=C1)C)C	PC-id_18374036	84.1164	BXYYUPVWEOANLJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000371
OC1CC=C1C	PC-id_13621955	84.1164	UCCSPODOPOTAJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000372
O(C1=CCC1)C	PC-id_14546685	84.1164	QUOWJBWZSDXDJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000373
O(C1CC=C1)C	PC-id_57262637	84.1164	GPVZIMIJJJWQKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000374
OC1(CC=C1)C	PC-id_86006122	84.1164	FNWVDKDUWOXRED-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000375
OCC1=CCC1	EMOLS-id_194662156,PC-id_543996	84.1164	QKWQJULHSYOWGC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000376
OCC1C=CC1	PC-id_13815416,MCULE-1648596291,CNP0202846,EMOLS-id_106524736	84.1164	DIKTXMYNZIOFEM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000377
C1CC(=C1N)N	PC-id_90151641	84.1197	VMBJHSKZDJWGLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000378
C1C(C=N1)CN	PC-id_90790047	84.1197	PIKIXSFQSDXLEN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000379
N1(CC(=C1)N)C	PC-id_68991998	84.1197	QRVSTQYOFATTSA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000380
N1=C(C(N)C1)C	PC-id_68867597	84.1197	AFWXHGGISPHPEM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000381
NC1=CCC1N	PC-id_139669454	84.1197	HBMAQLPPCFMTFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000382
NC1C(N)C=C1	PC-id_71328469	84.1197	JBDPYKWIXWFWLD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000383
NC1(N)CC=C1	PC-id_140376242	84.1197	BHXRHLDYBIWJEJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000384
N[C@H]1[C@H](N)C=C1	PC-id_71422819	84.1197	JBDPYKWIXWFWLD-QWWZWVQMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000385
[N+]1(=C(CC1)C)C	PC-id_18339210	84.1396	SPPJJFHELXZANT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000386
[N+]1(CC=C1)(C)C	PC-id_69822524	84.1396	JEANJIYOEJEYGJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000387
[SiH3]C1CC=C1	PC-id_101136635	84.1918	CIWYSZMXXZDFDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000388
C1=C[NH+](C1=O)[O-]	PC-id_163549827	85.016	FIDHZKPFCZLCGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000389
C1C=C([C@@H]1N)O	PC-id_163954658	85.053	SCHNJYYGZSEFSP-GSVOUGTGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000390
C1C=NC1CO	PC-id_163771238	85.053	MGPTZHPGFWCRIZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000391
CC1=C(OC1)N	PC-id_148817043	85.053	ORAQGLSOJWUYLE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000392
CC1=COC1N	PC-id_150227182	85.053	FUSBXEXWZAGIFS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000393
COC1CC=N1	PC-id_163726578	85.053	KWCGNWLGUWKLQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000394
O1C(=O)C(=C1)N	PC-id_70065753	85.0614	VLDPTULLPOUSNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000395
OC1=CC(=O)N1	PC-id_70233832	85.0614	GGJMQMVJKOEXDH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000396
OC1=CNC1=O	PC-id_67941933	85.0614	FSEFMYABSOKLIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000397
ON1C(=O)C=C1	PC-id_68633200	85.0614	YJWALTSZPYGFLF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000398
FCC1=NC=C1	PC-id_145329709	85.0797	IPFQMCXRWNQHEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000399
C1C=CN1CO	PC-id_91295952	85.1045	ZSEJWAADJIXXCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000400
CC1=CCN1O	PC-id_91163798	85.1045	CWGPCJSLPQPOQU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000401
CNC1OC=C1	PC-id_142754834	85.1045	SSVZUTKARPFFOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000402
OC1=C(CN1)C	PC-id_72538415	85.1045	LHAQBHCAIUTSKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000403
OC1(CN=C1)C	PC-id_68593165	85.1045	KJQIGNYICCFQDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000404
OC1=C(N)CC1	PC-id_20063161	85.1045	BCIYVQRWBCYJCC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000405
OCC1CN=C1	PC-id_140815205	85.1045	VCYPBWKGHNHIPX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000406
N1C=CC1=S	PC-id_142765874	85.1276	ZUGBIVSKNBDEJN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000407
S1C(=N)C=C1	PC-id_57417348	85.1276	OAWVUNLQFRTWPD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000408
C1=C([C-]=N1)Cl	PC-id_153946071	85.98	HRPPSFRFOUYMTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000409
C1C(=CN1O)[O-]	PC-id_154424508	86.025	MRWKSPFZGZWEAR-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000410
P1=CCC1=O	PC-id_54561109	86.0291	ZQPLGDCEPWHQPN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000411
C1C(C=C1O)O	PC-id_153803888	86.037	XTXJUXQVFBCALC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000412
O1C(=CC1=O)O	PC-id_72276392	86.0462	MPADWINQEOYPKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000413
O1C(=O)C(=C1)O	PC-id_70614745	86.0462	UGXLLHVJSUHAAP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000414
FC1=CCC1=O	PC-id_85787144	86.0644	LSOPCYPNBWFFRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000415
FC1=CC(=C)O1	PC-id_85956892	86.0644	SNXHBWDEVJALDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000416
FC1=CC(=O)C1	PC-id_85787147	86.0644	KOAORKLPWRVFHB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000417
PC1CC=C1	PC-id_85832398	86.0721	MLAWJMGFZKSWNQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000418
CC1=C(OC1)O	PC-id_141248182	86.0892	XCYAJSPNGPUOER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000419
CC1OC(=C1)O	PC-id_145575810	86.0892	YSOYNZLWTLZIRG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000420
O1CC(=C1)CO	PC-id_23181607	86.0892	YBUALMVACGHCDS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000421
O1C(=CC1)CO	PC-id_69047781	86.0892	RDXAISGFMDXFDR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000422
O1CC=C1OC	PC-id_19817234	86.0892	CGXNDEQYHZMHCC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000423
OC1=CCC1O	PC-id_141455259	86.0892	RLDBJEYXKRFNDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000424
OC1C(O)C=C1	PC-id_12513563	86.0892	QCHAHMKQNICNLC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000425
OC1=C(O)CC1	PC-id_21709344	86.0892	WVHYFUMRIFQFNH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000426
O[C@H]1[C@@H](O)C=C1	PC-id_12513564	86.0892	QCHAHMKQNICNLC-ZXZARUISSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000427
O[C@H]1[C@H](O)C=C1	PC-id_12513565	86.0892	QCHAHMKQNICNLC-QWWZWVQMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000428
NNC1OC=C1	PC-id_140166683	86.0925	HJEVACOHFXVYDR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000429
ONC1CN=C1	PC-id_57262968	86.0925	BQCFBXPIXMJHKB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000430
ONC1=NCC1	PC-id_53855982	86.0925	HADMEZXGOCAINR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000431
CC1CC(=C1)F	PC-id_90893323	86.1075	DHRXLZKECZAQGU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000432
CC1=CC(C1)F	PC-id_91413895	86.1075	PTJKNWOPCUOHJT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000433
FCC1=CCC1	PC-id_141177043	86.1075	XEKXCRSHPPQSAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000434
FCC1CC=C1	PC-id_85832388	86.1075	IEJJGQAQNNBXOF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000435
O1C=CC1=S	PC-id_101164644	86.1124	IYDBPIYQVUFWFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000436
S1C(=O)C=C1	PC-id_54425188	86.1124	WDPCXBANYHXQMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000437
CC1=CSC1	PC-id_141381709	86.1554	LCHXDUKEKUKFQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000438
S1C(C=C1)C	PC-id_67687806	86.1554	LOHOARWZNXGWQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000439
S1CC=C1C	PC-id_68209636	86.1554	NJVQTAFRLTXIPD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000440
SC1=CCC1	PC-id_57454026	86.1554	NDDPMBOSBGIWBB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000441
O[Si]1=CCC1	PC-id_140262329	86.1646	DQEFBLJLLJDPSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000442
C1=CC(=C1)Cl	PC-id_91479926	86.5196	PKAHYRQILHSJCW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000443
C1=C(C=N1)Cl	PC-id_153946072	86.988	JUBXRZHHYXGTDU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000444
C1[C-]=CS1=O	PC-id_152193661	86.991	VTUISJUECFUVNO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000445
C1C(=CN1O)O	PC-id_154424509	87.032	MRWKSPFZGZWEAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000446
C1=C(C(O1)N)O	PC-id_151006369	87.032	LVECEHHVCZYPQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000447
FC1=CNC1=O	PC-id_67817851	87.0525	CJEOZWDIPHLRDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000448
OC1(O)CN=C1	PC-id_54317748	87.0773	SPLALUVSYNMGJL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000449
[O+]1=C(CC1)CO	PC-id_86212985	87.0972	XZBPQHDLVMPDKP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000450
SC1CN=C1	PC-id_141103359	87.1435	BYUQHENFPPYLRK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000451
ClC1=NC=C1	PC-id_19049881	87.5077	LKBFWKXOUVTIDF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000452
[C-]1=NC(=C1F)F	PC-id_153931108	88	JHKKYPHIJLCBIH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000453
P1=C(F)C=C1	PC-id_19602125	88.0201	BNZYAPJQVKCWKB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000454
C1C(C=C1F)O	PC-id_154645255	88.032	GUWMEPNCCAUVDG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000455
C1C(=CO1)CF	PC-id_154077616	88.032	GZWXOHFDONZVNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000456
C1C#CC1(F)F	PC-id_91309010	88.0555	DJCWZKVUAQYUFM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000457
FC1=C(C=C1)F	PC-id_101916874	88.0555	AHGVDUCOGSLPJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000458
FC1=CC(=C1)F	PC-id_101916875	88.0555	JEMRVJLNZYRUJZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000459
FC1(F)[C]C=C1	PC-id_139242806	88.0555	APRGUVWHPJBRKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000460
FC1=C(CO1)C	PC-id_59816199	88.0803	OGCNENIHUDPXIH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000461
FC1=C(O)CC1	PC-id_86045682	88.0803	XVSRBVUNMGKQPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000462
FCC1OC=C1	PC-id_57731041	88.0803	CELSPMVLHSOLPZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000463
OC1=CC(C1)F	MCULE-2646089601,EMOLS-id_233170494,PC-id_71337941	88.0803	DWVKCVZKUUCPSP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000464
C1C=CS1=O	PC-id_102067657	88.1283	XJQPMWZHFMEWSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000465
ClC1=CCC1	PC-id_10909486	88.5355	KFDYVJZZXORXMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000466
ClC1CC=C1	PC-id_11815283	88.5355	NGDXTAVUVLANKC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000467
Cl[C@H]1CC=C1	PC-id_100918454	88.5355	NGDXTAVUVLANKC-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000468
C1C2[C@@]13C4=C2C4=N3	PC-id_163556818	89.027	FNTZLFMCDDLNEZ-YUOBNBKFSA-N	00111100000000000000000000000000000000000000000000000000	06-01-000469
FC1=CN=C1F	PC-id_70270690	89.0435	DZFCKPXYJLIPLH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000470
FC1(F)C=C[CH+]1	PC-id_139242801	89.0634	ZSQHORSPKFQNMD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000471
C1=COC1(N)F	PC-id_137332359	89.0684	HGSVVJHOQOYTPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000472
[CH-]1C(C=N1)(F)F	PC-id_154485373	90.016	ZGXLHHSJQGCGSN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000473
C1CC(=C1F)F	PC-id_85718292	90.0714	MQRVASCABSTUJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000474
C1=CC(C1F)F	PC-id_91026708	90.0714	FMZQAHWLKIRBNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000475
FC1CC=C1F	PC-id_85718290	90.0714	HWRCZPOITLFWKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000476
FC1(F)CC=C1	PC-id_13759149	90.0714	KCPCLQOVOPHVPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000477
F[C@H]1C=C[C@@H]1F	PC-id_102373957	90.0714	FMZQAHWLKIRBNV-IMJSIDKUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000478
F[C@@H]1C=C[C@H]1F	PC-id_102373958	90.0714	FMZQAHWLKIRBNV-QWWZWVQMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000479
F[C@@H]1C=C[C@@H]1F	PC-id_102511517	90.0714	FMZQAHWLKIRBNV-ZXZARUISSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000480
C123C(C=C1C2)C=C3	PC-id_86119606	90.1225	UQYRYGUGIZVEMA-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000481
C=CCC1=CC#C1	PC-id_91445872	90.1225	AVRSYNLAVWDIDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000482
C1C(C=N1)(F)F	PC-id_154465467	91.023	FNYHFEKPIFKMGC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000483
CC1=CC=C1C#N	PC-id_164090854	91.042	XFYJJODTLLBLII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000484
C=C=CC1=NC=C1	PC-id_142760607	91.1106	XJWGWRPDTAYIFY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000485
N#CC1=CC(=C1)C	PC-id_144839935	91.1106	VUSSFUSCNNPZJJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000486
C1=C(C(O1)F)F	PC-id_153733090	92.007	IIBWVRXBOYLWFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000487
C1C(=C(O1)F)F	PC-id_154311350	92.007	YTTFVENJLWHGRM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000488
C#CC1(CC#C1)O	PC-id_152132641	92.026	VHOBMGYKIQACET-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000489
FC1(F)OC=C1	PC-id_69046436	92.0442	NLOLGTOBRDWHHK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000490
C(C1=NC=C1)C#N	PC-id_141433492	92.0987	OMYJYMALPZONHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000491
[N+](=[N-])=C=C1CC=C1	PC-id_85640071	92.0987	JUUMZEOBWHMHBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000492
C1CC=C1CC#C	PC-id_53894453	92.1384	YLZNOLJKBHVYLL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000493
C1(=CC(=C)C1=C)C	PC-id_12542039	92.1384	AFYWEBJYSMJHPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000494
C1C(=C)C(=C1[CH])C	PC-id_58922239	92.1384	CZARASHEGMYVTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000495
C1C(=CC=C)C=C1	PC-id_103591	92.1384	USDJJNZZCBONHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000496
C1/C(=C/C=C)/C=C1	PC-id_21160251	92.1384	USDJJNZZCBONHN-QPJJXVBHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000497
CC(=C)C1=CC=C1	PC-id_143604691	92.1384	UGCFQESXYMYOHK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000498
C[C@@]1(CC=C1)C#N	PC-id_163688012	93.058	JQNYFPONSCQMOV-ZCFIWIBFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000499
CC1CC=C1C#N	PC-id_164063147	93.058	WIRPTBHVFLTJOF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000500
CC(=N)C1CC#C1	PC-id_163609404	93.058	HEPNAIGUIKJGNF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000501
CN=CC1CC#C1	PC-id_164146749	93.058	ZBBOVORXXWROPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000502
C1C=C(C1=O)C#N	PC-id_134854839	93.0834	ZJHFYBXWECRPCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000503
O=C1CC(=C1)C#N	PC-id_85623491	93.0834	ORXICMPWOPTVGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000504
CC1(CC=C1)C#N	PC-id_101698820	93.1265	JQNYFPONSCQMOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000505
N1=C(CC=C)C=C1	PC-id_57056719	93.1265	NWICHWJNORJHSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000506
N#CC1=C(CC1)C	PC-id_15178999	93.1265	FUYQLAUVXWDRAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000507
N#CC1=CC(C1)C	PC-id_53686246	93.1265	BKBMAWRXOUDTND-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000508
C[C-](C)C1=CC=C1	PC-id_91396534	93.1464	JGXKKBZPNUDABU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000509
O=C1NC=C1C#N	PC-id_70355727	94.0715	FYSAQNLYOHHWLW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000510
CC1(C=CC1=C)C	PC-id_154340548	94.078	KLHASRKLHTYRCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000511
[2H]C1=C([2H])[C@@]([C@]1([2H])F)([2H])F	PC-id_102511518	94.096	FMZQAHWLKIRBNV-KWWVIHPISA-N	00001100000000000000000000000000000000000000000000000000	06-01-000512
C1C=CC1C=C=O	PC-id_91086620	94.1112	IHNZJDJEPVBDTL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000513
C=C1C=CC1C=O	PC-id_135800015	94.1112	ZZNSMDWAXOSEOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000514
CC1=C(C=C1)C=O	PC-id_144479080	94.1112	MWMKKASRUSFIPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000515
CC=C1C=CC1=O	PC-id_88611521	94.1112	RIXUWKGSYHEWAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000516
O=C1C(=CC1=C)C	PC-id_56648347	94.1112	GAGSCOYTMNQPLA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000517
C1C=C(C1N)C#N	PC-id_91373290	94.1145	XVBYEUOLNYRNHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000518
CC1=CN(C1)C#N	PC-id_140880408	94.1145	MXTJANRPOMXODI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000519
C(C#N)N1CC=C1	PC-id_140313263	94.1145	NTMTWGVYFKUJSO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000520
NC1=C(C=C1)C=N	PC-id_101439663	94.1145	GSMWCMOLTUMYNH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000521
NC1=C(CC1)C#N	PC-id_59872318	94.1145	TZYXFWIRDYBMPK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000522
CC=NC1=C[CH+]C1	PC-id_136601481	94.1344	APEXCDPMZYOLEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000523
C1(CC=C1)CC[CH]	PC-id_59269790	94.1543	XWCAUZASIDVLIF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000524
C1(CC=C1)C(C)[CH]	PC-id_59269801	94.1543	NJQNEMYKLYCYBC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000525
C1(CC(=C1)C)C=C	PC-id_13864461	94.1543	KWDQGFMCBZOEBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000526
C1C(=C(C1=C)C)C	PC-id_20600458	94.1543	PQVYKXWXBBYUJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000527
C1C(=CC1)CC=C	PC-id_54148067	94.1543	CCYJREWSADTAGC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000528
C1(C(=CC1=C)C)C	PC-id_54297938	94.1543	SCCFXMHTZLDJCS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000529
C1(CC)C(=C)C=C1	PC-id_23528912	94.1543	UVQYEDPTGRYOPJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000530
C1(=CCC)CC=C1	PC-id_85631702	94.1543	ISYTUMVCLOTOTR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000531
C(C1=CC=C1)(C)C	PC-id_12724583	94.1543	QKXXQWNZLUNJFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000532
CC1=CCC1C=C	PC-id_143331375	94.1543	VEGJQEZDBZINAL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000533
CC1CC(=C1)C=C	PC-id_90736049	94.1543	KFTNUOOSXFGZHP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000534
CC1C(=C=C1C)C	PC-id_91019041	94.1543	PKPCMYXWSMOCMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000535
CC(=C1CC=C1)C	PC-id_136654280	94.1543	RKUCTQMEWJCCAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000536
CCC1(CC#C1)C	PC-id_90882610	94.1543	SXYJQENCOVKCHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000537
CCC1C#CC1C	PC-id_91425838	94.1543	JUWMXMITHPISEP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000538
CCCC1=C=CC1	PC-id_143325803	94.1543	QQSCEDASNCOVFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000539
CC(C)C1C=C=C1	PC-id_90686962	94.1543	QZRQEIKXEIMUMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000540
CC(=C)C1=CCC1	PC-id_90817544	94.1543	VLDXGJJXZRTOAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000541
[B]1C=CC1C(=O)O	PC-id_90747087	94.8844	MUOACKSXDRLRSP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000542
C1=C([C-]=N1)C(=O)[O-]	PC-id_150291412	95.002	GHQYZJOPADJXQT-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000543
C1=CC(=C1)CN=O	PC-id_163995841	95.037	UEPZPQXJRJNCSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000544
C1CC(=C1)N=C=O	PC-id_154064715	95.037	ZJYXMRCJAKUXTF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000545
C1C#C[C@H]1CN=O	PC-id_163829214	95.037	OCFKMIKWCBPLFE-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000546
C=CC1C=C=[N+]1[O-]	PC-id_164009843	95.037	UQFOUTGOTHBUAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000547
CN(C)C1=CN=[C-]1	PC-id_153924765	95.061	WGRWDTBDDYTSFV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000548
CNCC1=CN=[C-]1	PC-id_153945196	95.061	BATCMRUJNBGKEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000549
C1C=CC1/C=C/N	PC-id_163622868	95.073	HPQBEXJQNDZJCU-SNAWJCMRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000550
C1C#CC1CCN	PC-id_164128765	95.073	YLWFFLOSEHIWIE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000551
CC1=CC=C1CN	PC-id_147705550	95.073	GTRWVQAXAHAHKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000552
C=C1C=CC1CN	PC-id_163953951	95.073	SBSKDBHBVJHTII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000553
CC1CC=C1N=C	PC-id_146979512	95.073	WYERCOAAPCPTHG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000554
CC1=C(C=C1)NC	PC-id_153025067	95.073	VCRNJNGOPXFULJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000555
CC1=CN(C1)C=C	PC-id_163937237	95.073	RNWFIDZPRNSMJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000556
CCC1C#CN1C	PC-id_160719490	95.073	RSXIKUPNNDCTRS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000557
CCC1=CC(=N)C1	PC-id_163837973	95.073	BGOCPLGQTQKAQF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000558
CCCC1C=C=N1	PC-id_163552492	95.073	FKFKCWSKLBPGOS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000559
CCCC1C#CN1	PC-id_164101995	95.073	XPLHGTXGCSXOTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000560
CCCN1CC#C1	PC-id_146787500	95.073	RVDXLRBRSZFDAZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000561
CCN1C=CC1=C	PC-id_163957244	95.073	SELDMWIZXWZHPK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000562
CCNC1=CC=C1	PC-id_163889634	95.073	QALDEBURAJORFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000563
C=NCC1CC=C1	PC-id_147404153	95.073	DPIKIPSGFADGOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000564
CC1=CC(=N)C1=O	PC-id_143342342	95.0993	YRQZOSQOCQHDNS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000565
CC1=C(N=C1)C=O	PC-id_142527718	95.0993	WDRXYPRJETWTOJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000566
C=C1C=NC1C=O	PC-id_142770263	95.0993	YYMAHUUGJRUGSW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000567
CC(=O)C1=CC=N1	ZINC22_1857777595	95.0993	OKZVTLZEBIRPCZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000568
NC1=C(C=C1)C=O	PC-id_101439660	95.0993	JTXUPTBEURRYEP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000569
NC1=CC(=C)C1=O	PC-id_143280302	95.0993	OABBLRNQDFTPQN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000570
N/C=C
/C=CC1=O	PC-id_101439662	95.0993	NCKVUABYXAMORJ-ARJAWSKDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000571
OC1CC=C1C#N	PC-id_102012978	95.0993	INBPUGPUZAHKRM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000572
OC1=C(CC1)C#N	PC-id_86045678	95.0993	ANRDEPKUWDAOCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000573
O=C1NC=C1C=C	PC-id_67763434	95.0993	IQTMGKLZWMFKLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000574
C1=CN=C1C(=N)N	PC-id_90721892	95.1026	WTGRRABRCRTFCO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000575
N(=[N+]=[N-])C1=CCC1	PC-id_21283381	95.1026	DRRDXFFIIYWVSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000576
CC1=C(C(=C)C1)N	PC-id_143344296	95.1424	BREPOWVSVAJLNS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000577
CC(C1=NC=C1)C	PC-id_142774792	95.1424	FXABKAHJOPJTNJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000578
CCC1=NC(=C1)C	PC-id_143682708	95.1424	MWHGLZLLNMGGTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000579
CCCC1=NC=C1	PC-id_142780387	95.1424	XBZSTKHKXNPJDR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000580
CC=[NH+]C1=C[CH+]C1	PC-id_136601480	95.1424	APEXCDPMZYOLEU-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000581
[Si]C1=CCC1=O	PC-id_85787142	95.1515	OXSVWBCPYLHRSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000582
[Si]C1=CC(=O)C1	PC-id_85787146	95.1515	VZKOYXAZYZVOKV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000583
C1(=CCC1)CC[CH2]	PC-id_57422506	95.1622	JPHWFIBWDZZLOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000584
CC1C=[C+]C1(C)C	PC-id_91539673	95.1622	MOBXLSKMZKVUGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000585
CCC1=CCC1[CH2-]	PC-id_91005354	95.1622	WMJWLRAJOOMJMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000586
CC[C-]1CC=C1C	PC-id_90948706	95.1622	DAVYURWJZLQDKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000587
CCCC1[CH]C=C1	PC-id_142258839	95.1622	GQFCKLLRRBZGGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000588
C1=C([C-]=N1)C(=O)O	PC-id_154495579	96.009	GHQYZJOPADJXQT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000589
C1=CN=C1C(=O)[O-]	PC-id_154065862	96.009	CYKXSVXXQPXNCO-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000590
C=CC1=PC=C1	PC-id_163876977	96.013	PPSVIQZPJQQFRK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000591
CCC1=C(N=C1)[O-]	PC-id_154298397	96.045	LUFRVXVMKFTGOW-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000592
C[C@H](C1=CN=[C-]1)O	PC-id_153811379	96.045	RNNVMVCJXBSPSC-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000593
CCOC1=CN=[C-]1	PC-id_154484730	96.045	FNPNSMPAWSCRSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000594
CC(=O)N1[CH-]C=C1	PC-id_153836499	96.045	AQSYIHHMAPZQGD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000595
[O]C1=CC(=N)C1=O	PC-id_90790624	96.0642	BNOXKESHAWKGSO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000596
C
C=C/C1=CNN	PC-id_163608452	96.069	HDVNXTYYGRFYTK-SNAWJCMRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000597
CN(C)C1=CN=C1	PC-id_153924766	96.069	WTJMVNUJRUTVJT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000598
CNCC1=CN=C1	PC-id_153945197	96.069	DFYIEYLDRGWDEP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000599
CC(C)N1C[C-]=C1	PC-id_153724171	96.082	JOLRXULDYANKBN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000600
CC(C)N1[CH-]C=C1	PC-id_153732274	96.082	RAYPMFCKJUMJPM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000601
CCCn1[cH-]cc1	PC-id_163878974	96.082	PRKOMKMNPZOYTL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000602
C1=CC(=C1)C(=O)O	PC-id_91239230	96.0841	FLOZEJLRMHLESX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000603
C1C#CC1OC=O	PC-id_91199322	96.0841	QCKLXBNDNZORRR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000604
O1C(=O)C(=C1)C=C	PC-id_70530349	96.0841	LECCXIPRQFIPOA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000605
O=C1C(=CC1=O)C	PC-id_14140297	96.0841	LHHURKSQZDOCMK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000606
OC1=CC(=O)C1=C	PC-id_59449448	96.0841	RTIAFGGPKDTXAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000607
O/C=C
/C=CC1=O	PC-id_101439661	96.0841	FADLODXHYMAXMD-ARJAWSKDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000608
O=C(N)C1=NC=C1	PC-id_54406142	96.0874	VQUUZIGLUMWMSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000609
ON=CC1=NC=C1	PC-id_142770928	96.0874	YFMFEHKVWGMHHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000610
N1=C(N)C(=[N+]=[N-])C1	PC-id_56620008	96.0907	AGZXEKRGTNPJJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000611
C1CC(=C1)CC=O	PC-id_90901865	96.1271	RKLUGYSMXWRBFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000612
C1C=CC1CC=O	PC-id_91320258	96.1271	YXRWLZJPDZLRMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000613
C1(=CCC1)C(=O)C	ZINC22_166797204,PC-id_13264941,MCULE-8695975727,EMOLS-id_50378670	96.1271	WNJUOMULPQONCZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000614
CC1=C([C+](C1)C)[O-]	PC-id_101987932	96.1271	DMLPLASFPHIDRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000615
CC1=C(CC1)C=O	PC-id_54574299	96.1271	NRHIIQYHZQVXTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000616
CC1(CC=C1)C=O	PC-id_90947305	96.1271	DXSKLJDKDMQJHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000617
CC1=CCC1C=O	PC-id_91358496	96.1271	NJWRPSUHXVINQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000618
CC1C=CC1C=O	PC-id_91396249	96.1271	XBKNIFNUEMUOOM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000619
CC1=CC(C1)C=O	PC-id_91598659	96.1271	CRZBUSPKGBXYDH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000620
C/C=C/1OC=C1C	PC-id_140363679	96.1271	LFUDIHIARFHSEM-UTCJRWHESA-N	00001100000000000000000000000000000000000000000000000000	06-01-000621
C[C@H](C1=CC=C1)O	PC-id_102472271	96.1271	JOHMMTWGUDZHBH-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000622
O=C1CC(=C1C)C	PC-id_13040710	96.1271	UPTNGXUTWVBDOA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000623
O=C1C(C=C1)(C)C	PC-id_13125309	96.1271	OLOHMEZNPBZMKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000624
O=C1C(C(=C1)C)C	PC-id_13776975	96.1271	LBRZOABHVRERIO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000625
O=C1C(=CC1)CC	PC-id_15875705	96.1271	DJVPOYWVSOFOIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000626
O=C1CC(=C1)CC	PC-id_57753817	96.1271	XTCOPVQUHBOHAH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000627
O=C1C(C=C1C)C	PC-id_85918652	96.1271	UQZGXRHPRPJZFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000628
O(CC1=CC=C1)C	PC-id_11064391	96.1271	UACXOYFNFOJJLI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000629
O=C(C1CC=C1)C	PC-id_15783839	96.1271	CRYDNUMCLZAQEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000630
CC1=C(C(=N1)N)C	PC-id_142771798	96.1304	GTKJMVNEHSNMIB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000631
CN(C1=NC=C1)C	PC-id_142779882	96.1304	QRIOMDRECDXBFV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000632
[Si]OC1=NC=C1	PC-id_70423818	96.1396	SKDAXIHKVKRLKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000633
[N+]1(CC=C1)(C)C=C	PC-id_70366936	96.1503	RPWCBRXNFHUIKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000634
O=C[Si]1=CC=C1	PC-id_142713015	96.1595	OXIRNZYGSZTKLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000635
C1(=CCC1)C(C)C	PC-id_14593258	96.1702	HXHIATTUBFNQHT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000636
C1(C(C=C1C)C)C	PC-id_15050867	96.1702	WGQKACCPFBKOTN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000637
C1(CC(=C1)C)(C)C	PC-id_20322316	96.1702	TUJODTKRRIKQDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000638
C1(CC(=C1C)C)C	PC-id_20534579	96.1702	UIOCKNZLNKSXGM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000639
C1(=CCC1)CCC	PC-id_53967556	96.1702	MKAFPHLSQKONSH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000640
C1(C(C)C)CC=C1	PC-id_20800786	96.1702	MVUIDYODAQLMEF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000641
C1(CCC)CC=C1	PC-id_22507472	96.1702	NVGKHZXNALSGDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000642
C[C@]1(CC)CC=C1	PC-id_100918455	96.1702	ZVQFEUDITXJLPX-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000643
CCC1=CC(C1)C	PC-id_53847901	96.1702	JRBGTZBCWPIEDA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000644
CCC1CC(=C1)C	PC-id_90730177	96.1702	ACFPJTBSUVJQQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000645
CCC1C=CC1C	PC-id_90787403	96.1702	QRGOLXCUKYEUDL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000646
CCC1CC=C1C	PC-id_90948707	96.1702	ILXMGHUHHNSEMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000647
CCC1=CCC1C	PC-id_91005355	96.1702	AFQDWUKAWCEAEJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000648
C[C@@H]1CC(=C1C)C	PC-id_101916604	96.1702	UIOCKNZLNKSXGM-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000649
C[C@H]1C=C(C1C)C	PC-id_143332213	96.1702	WGQKACCPFBKOTN-DSEUIKHZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000650
C1=C(C=N1)C(=O)O	PC-id_150291413	97.016	ABCSZZOROAQGBU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000651
C1C=CC1C(=O)[O-]	PC-id_153746367	97.03	OJYGZHVJCDPOLI-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000652
O=C1C(=CC1=O)[O-]	UNPD127956,PC-id_24848352	97.0489	KGPQKNJSZNXOPV-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-000653
C1CC(=C1)CN=O	PC-id_164949200	97.053	AHGXHVKFULBYFX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000654
CC1CC=C1N=O	PC-id_164055790	97.053	WCNQJMNEQAAUJN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000655
CC1(CN=C1)C=O	PC-id_164010269	97.053	UQOIMYCOQBKULM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000656
CC1(C=NC1=O)C	PC-id_153871737	97.053	GGSJPLNVHSLNHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000657
CCC1=CNC1=O	PC-id_154298398	97.053	LUFRVXVMKFTGOW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000658
C[C@H](C1=CN=C1)O	PC-id_153811380	97.053	GJMRHJJMUJXJDO-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000659
CC(=O)C1=CNC1	PC-id_152941949	97.053	UMZCFAKFWDQPRI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000660
CCOC1=CN=C1	PC-id_154484731	97.053	UHCKRBXBOBEQGI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000661
O=C1C(=CC1=O)N	PC-id_1714298	97.0721	DTCQVCMXPVEYCT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000662
O=CC1N=CC1=O	PC-id_142797349	97.0721	RZJCHCWGZKTFOC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000663
O=CN1C=CC1=O	PC-id_101169494	97.0721	WLKWNOHTEWVSHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000664
OC(=O)C1=NC=C1	PC-id_17800518	97.0721	CYKXSVXXQPXNCO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000665
[O-]C1=C([N+]#N)CN1	PC-id_22908020	97.0754	PNIHVLIAVDBGIP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000666
C1C=CC1CCN	PC-id_147194295	97.089	CCAYBHYXGIYUHM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000667
CC1CC=C1CN	PC-id_147972061	97.089	IRNNDBGFVDSRMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000668
CC1=C(CC1)NC	PC-id_147348016	97.089	DEVBZNLWGATURA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000669
CC1=CC(N1)(C)C	PC-id_153822243	97.089	MULNAPINNRXTDL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000670
CC(C1=CCC1)N	PC-id_149544084	97.089	ZPAZHTNPXSVTPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000671
CC(C1CC=C1)N	PC-id_154527917	97.089	MBQSKJCPBIICRW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000672
CCC1(CN=C1)C	PC-id_160175759	97.089	PDPVVXNNXUTEAY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000673
CCCC1C=CN1	PC-id_148005706	97.089	IXVBADPRFNIRTN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000674
CCCC1=CCN1	PC-id_149155529	97.089	ROFGTNRFJAPATB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000675
CCCC1CC=N1	PC-id_153730040	97.089	BTZZJJFDDABCIE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000676
CC(C)C1CN=C1	PC-id_147257077	97.089	CNVGPOJXDFBEIT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000677
CCCC1CN=C1	PC-id_154548661	97.089	WZWRNZIFXHBIAX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000678
CCC[C@H]1C=CN1	PC-id_163665209	97.089	IXVBADPRFNIRTN-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-000679
CCCN1CC=C1	PC-id_154553356	97.089	GZXQBDFDWLGFOU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000680
C[C@H]1C(C=C1N)C	PC-id_163654335	97.089	IOWJKGHXURZDRK-AKGZTFGVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000681
C[C@H]1C(=C(N1)C)C	PC-id_163754123	97.089	LSNQJHATLJJMOE-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000682
CCN1CC=C1C	PC-id_153119540	97.089	VUOOUGDUBVVOEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000683
CCN1CC(=C1)C	PC-id_154527459	97.089	YGEYKOPGAHPGTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000684
CCNC1=CCC1	PC-id_148291557	97.089	KXJPQFHZIWXDIV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000685
CNCC1CC=C1	PC-id_149522170	97.089	ZKYTXPLDHDMAKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000686
CN(C)[C@@H]1CC=C1	PC-id_163977204	97.089	SVFINKZMTWCNBK-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-000687
C1C=CC1NC=O	PC-id_144290124	97.1152	VYQBVIXPFYNHQF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000688
C1CC(=C1)NC=O	PC-id_90761497	97.1152	ZFVQZUJSSWMNEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000689
CC(=O)C1CC=N1	PC-id_91065571	97.1152	UDKPKNDUNROHNK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000690
CC(=O)N1CC=C1	PC-id_10909492,MCULE-4207230175,EMOLS-id_36759675,SPECS-id_AT-556/MD12580	97.1152	VCZMEQQJDCHGQF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000691
NC1=C(CC1)C=O	PC-id_100993961	97.1152	MKWARWOYMVUQTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000692
N[C@H]1C=C[C@@H]1C=O	PC-id_100993957	97.1152	UVEWNWXETFFIMT-UHNVWZDZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000693
N[C@@H]1C=C[C@H]1C=O	PC-id_100993958	97.1152	UVEWNWXETFFIMT-CRCLSJGQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000694
N[C@@H]1C=C[C@@H]1C=O	PC-id_100993959	97.1152	UVEWNWXETFFIMT-RFZPGFLSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000695
N[C@H]1C=C[C@H]1C=O	PC-id_100993960	97.1152	UVEWNWXETFFIMT-WHFBIAKZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000696
NC(=O)C1=CCC1	EMOLS-id_96292924,PC-id_22074965	97.1152	IELJCNUTQGDVKZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000697
O=C1CC(=C1C)N	PC-id_55291233	97.1152	GTOUDKUSZGHXBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000698
O(CC)C1=NC=C1	PC-id_70596920	97.1152	IPCNKWGUAFMASE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000699
O=C(N)C1CC=C1	PC-id_543065	97.1152	HNDTUXUFPDSHJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000700
CC1=C([C+](C1)C)O	PC-id_101987933	97.1351	DMLPLASFPHIDRD-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000701
CC1=CCC1CN	PC-id_90953223	97.1582	FFDLOSAWAUPKSU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000702
CC1(CC=C1)NC	PC-id_142865279	97.1582	JCLVBMLBPQXDFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000703
CC(N1CC=C1)C	PC-id_141051534	97.1582	CFGLXHMAUYHUDT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000704
CNC1CC(=C1)C	PC-id_144523080	97.1582	HVUFDHFJQSXULJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000705
CNC1CC=C1C	PC-id_144531486	97.1582	BRBWLABKZYZNLA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000706
N1=C(CC1CC)C	PC-id_57558424	97.1582	RTMHQPCBDZIHFZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000707
N1=C(CC1(C)C)C	PC-id_57710684	97.1582	FQHAXPDEIQAZGE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000708
N=C1C=CC1[SiH3]	PC-id_101136629	97.1906	QWOYCUUXNOVETF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000709
OB(C1CC=C1)O	PC-id_141065883	97.9082	KQTMTBOLDMUEOR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000710
OB(C1=CCC1)O	PC-id_141481623	97.9082	YQINLBZBGBRJTM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000711
C1C=CN1C(=O)[O-]	PC-id_153743372	98.025	JYVBWUOTAXLRRU-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000712
C1=CP=C1C=O	PC-id_91031677	98.0398	RSPVOXHLBXUVAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000713
C=CC1=C(CC1)F	PC-id_163884267	98.053	PVZJVSUDOAJEAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000714
C1=C(C(=O)C1=O)O	CoCoCo_5580694,EMOLS-id_30264965,UNPD71591,LI_220494,NSC292896,PC-id_40452,HMDB0254845,ZINC22_1566076,CNP0313124,MCULE-3440355716	98.0569	KGPQKNJSZNXOPV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000715
O=C1NC(=O)C1=N	PC-id_22564183	98.0602	LFKIMMPLXQYNOP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000716
CC1C(=CN1C)[O-]	PC-id_163782114	98.061	VIHMFQICRZKUGR-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000717
CN(C1CC=C1)[O-]	PC-id_163730598	98.061	TXLPYKKXGWATHB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000718
CC1=C(NC1=O)[O-]	PC-id_91229309	98.0801	IDQFGBPOMWAVGI-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000719
P1(CC=C1)C=C	PC-id_86057303	98.0828	WRRGMVRDYYKLKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000720
P1=CCC1C=C	PC-id_86057304	98.0828	JURCTNWSMQVEJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000721
OC1=C([N+]#N)CN1	PC-id_22908021	98.0834	PNIHVLIAVDBGIP-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000722
C1C=C(C1N)CN	PC-id_163671029	98.084	JCNNIEJJLGKYTQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000723
CNC1=C(CC1)N	PC-id_164111475	98.084	XXIRRAWUTOZZSA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000724
C(=O)(O)C1=CCC1	ZINC22_62715001,EMOLS-id_45773355,MCULE-4244912351,PC-id_11434914	98.0999	CXUKMALSQXRODE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000725
O1C(=CC1=C)OC	PC-id_86184700	98.0999	SYRTXVJYIVMUHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000726
O1C(=C(C1=O)C)C	PC-id_22461809	98.0999	MBAZPDZMAGQOGP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000727
O1C(=CC1=O)CC	PC-id_69992432	98.0999	FYCRVRKCYFHMMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000728
O1C(=O)C(=C1)CC	PC-id_22164840	98.0999	FWWDTYAMWNPNCT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000729
O(C1=CCC1)C=O	PC-id_22642331	98.0999	BYEMTWUMBFCICR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000730
O(C1CC=C1)C=O	PC-id_54132483	98.0999	VCTXGIVWUJCIFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000731
OC1=C(CC1=O)C	PC-id_58489247	98.0999	HUGFTIGZGFGYAB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000732
O(C1=CC(=O)C1)C	PC-id_14643777	98.0999	KYZBMBUQVKOUQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000733
OC1=C(C(=O)C1)C	PC-id_57975953	98.0999	JYDJHMDCSHKEGA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000734
OC(=O)C1CC=C1	PC-id_20387379	98.0999	OJYGZHVJCDPOLI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000735
O=C(N1CC=C1)N	PC-id_70403291	98.1032	CBTPUZNOYHTSER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000736
N1=C(N)C(=C1N)N	PC-id_55290402	98.1065	SGSFIBOVOBTCLW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000737
CC1C=CC1CO	PC-id_119098288	98.143	HRRSFAQSOLDELF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000738
CC(C1=CCC1)O	PC-id_91999462	98.143	IPPIMUGTHBJLDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000739
CCCC1=COC1	PC-id_141121708	98.143	ANNZQRIRNWPHFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000740
CCOC1=CCC1	PC-id_91492877	98.143	CYGLHNIHUVOJBG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000741
COC1=C(CC1)C	PC-id_145725443	98.143	QBLNAZHAVPMLHB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000742
COCC1=CCC1	PC-id_90892871	98.143	XIUDYUHJPWPACN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000743
O(C1CC=C1)CC	PC-id_13395687	98.143	KKHHKQINIJHNKL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000744
O(C1C(C=C1)C)C	PC-id_13395694	98.143	SJRLSGAVBWFQOX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000745
OC1=C(CC1C)C	PC-id_60107905	98.143	VQYDYKPSVOIPNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000746
OCC1=C(CC1)C	PC-id_15178996	98.143	BEDCNSXHBSLFOU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000747
O(CC1CC=C1)C	PC-id_57068935	98.143	HHZXGIVNDOPQGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000748
OCCC1=CCC1	PC-id_317541,CoCoCo_5557378,NSC249804,LI_219989,ZINC22_1767928	98.143	HAMMEPSPRBLFLR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000749
CN(N1CC=C1)C	PC-id_142784797	98.1463	HGNIVMTYOYDZNR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000750
N1=C(N)C(C1)CC	PC-id_68073067	98.1463	ZOAWEEACTBBXQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000751
N(C1CN=C1)CC	PC-id_22566365	98.1463	CFDRRDMJAAVAQN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000752
[Si]OC1=NCC1	PC-id_86087829	98.1555	LXOMVTYKHQEVNL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000753
C1CC=[Si]1C=O	PC-id_139824484	98.1753	BPISCCOJOKYZJM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000754
O=C1C=CC1[SiH3]	PC-id_101136631	98.1753	WZQBPJIZZSYCQF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000755
[Si]1(CC=C1)(C)C	PC-id_12842274	98.2184	IDNDQZDRGMMBQC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000756
C1=C(C(=[OH+])C1=O)O	PC-id_154406454	99.008	KGPQKNJSZNXOPV-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-000757
C1C(=CO1)C(=O)[O-]	PC-id_160356262	99.009	PZVUWGYUQVSQKZ-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-000758
C=S=C1CN=C1	PC-id_164009168	99.014	UPQBNYUUZNDSBN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000759
C1=C(C(=C1O)N)O	PC-id_164989155	99.032	GPLGABVHEUMCQR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000760
C1C(C(=N1)C=O)O	PC-id_154111987	99.032	RTTMAPATADDZRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000761
C1C[N+](=C1C=O)[O-]	PC-id_153999478	99.032	WSWOOSGARCIKEY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000762
O=C1C(=O)NC1=O	PC-id_21657599	99.0449	LJOZPMUVYUEOBG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000763
OC1=C([2H])C(=O)C1=O	PC-id_140673640	99.063	KGPQKNJSZNXOPV-MICDWDOJSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000764
C1CN=C1CCO	PC-id_163676673	99.068	JHGZVYJMCCVZES-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000765
CC1=CNC1(C)O	PC-id_163905445	99.068	QNMONEABMVCQCQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000766
CC1(CN=C1)OC	PC-id_154485675	99.068	MIYDZXJYMRKDNJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000767
CC1=C(NC1)OC	PC-id_164057487	99.068	WDYKEBDZUWMAFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000768
CC1=NC(C1)(C)O	PC-id_163827126	99.068	OALHWAPWORWGRC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000769
C[C@H]1C=C(N1)OC	PC-id_146844393	99.068	SGTWNJRLQZMHIS-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000770
C[C@H]1CN=C1OC	PC-id_163701446	99.068	KBIUXSDOTHTGNX-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000771
C[NH+](C1CC=C1)[O-]	PC-id_163730597	99.068	KZFGRARJNINNLG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000772
COC1=C(CC1)N	PC-id_154177814	99.068	YILOUCDMHGGACV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000773
C1C=CC1[N+](=O)[O-]	PC-id_85696738	99.088	GAAKKUDCPBVFJS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000774
CC1=C(NC1=O)O	PC-id_91229310	99.088	IDQFGBPOMWAVGI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000775
NC(=O)C1OC=C1	PC-id_139928536	99.088	JDOXEMXGCNCUFY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000776
O1CC(=C1)C(=O)N	PC-id_69978002	99.088	CESZHSJSZFWKNP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000777
OC1=CC(=O)N1C	PC-id_72505081	99.088	RUBFLCSUFUUSNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000778
O(C1=CNC1=O)C	PC-id_23198743	99.088	ZJARPWQXODCMMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000779
OC(=O)C1=CCN1	PC-id_140368094	99.088	HBFBWCSHGOUARO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000780
OC(=O)C1=NCC1	PC-id_22101703	99.088	WJQLZCLSXZKHMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000781
OC(=O)[C@H]1NC=C1	PC-id_140633596	99.088	OPJMHCZGUITIPV-VKHMYHEASA-N	00001100000000000000000000000000000000000000000000000000	06-01-000782
OC(=O)N1CC=C1	PC-id_19033210	99.088	JYVBWUOTAXLRRU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000783
C1C=C(C1[NH3+])CN	PC-id_163671028	99.092	JCNNIEJJLGKYTQ-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000784
[C-]#CC1=C[C+](C1)C#[C-]	PC-id_102185840	99.1094	YMCLOARPDBHEKT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000785
CC1=CC([C+]1C)F	PC-id_85872380	99.1261	BHHUFTWUSZBELE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000786
C1=CC(C1CN)O	PC-id_91067050	99.1311	RLTFOYBHUMCCGF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000787
CC1(C)CC=[N+]1[O-]	PC-id_140905898	99.1311	VYLNCHJQXHMPMO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000788
CC(C1=NCC1)O	PC-id_140997291	99.1311	UGCFDQPWZVMRPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000789
CCN1C=CC1O	PC-id_140980362	99.1311	UGRFHPBKIIGXPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000790
O(C1=NC(C1)C)C	PC-id_567281	99.1311	MTFXQVCCKCNPSR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000791
OCC1C(N)C=C1	PC-id_15333810	99.1311	JOLSQHPRZNOZOL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000792
OC[C@H]1[C@@H](N)C=C1	PC-id_10558573	99.1311	JOLSQHPRZNOZOL-WHFBIAKZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000793
OCCN1CC=C1	PC-id_69352371	99.1311	HZPHTQGLJNGLKB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000794
O(NC1=CCC1)C	PC-id_57223952	99.1311	MCBWZFXVBMYNRM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000795
C1CN=C1C(N)N	BindingDB_PC-id_91932264,PC-id_91932264	99.1344	SAVBRKWRKJJGCT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000796
S(C1=CC=N1)C	PC-id_68138170	99.1542	FKEYHRJDXFAJKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000797
CC1=CC(=C1)Cl	PC-id_149532855	100.008	ZMYOTCSWPUKFES-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000798
O1C(=O)C(=O)C1=O	PC-id_53897060	100.03	HUKKQNRRISBGTL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000799
C1CC(=C1)[SiH2]O	PC-id_153979071	100.034	XWSSFODILMPTIM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000800
CC1C=C(S1)C	PC-id_153804015	100.035	GKUUVLYMEMDZLG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000801
O[13C]1=CC(=O)[13C]1=O	EMOLS-id_30264965	100.042	KGPQKNJSZNXOPV-NDLBAUGKSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000802
CPC1=CCC1	PC-id_153846759	100.044	WWAYPYKDAPVVAC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000803
O=C1C=CP1C	PC-id_102041861	100.056	SPMXIFFDOPMDTM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000804
CC(C1=CCC1)F	PC-id_163756091	100.069	LUDZQDCRHRLWMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000805
O1CC(=C1)C(=O)O	SCHEMBL36839,PC-id_23047069	100.073	PZVUWGYUQVSQKZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000806
OC1=C(C(=O)C1)O	SCHEMBL5072819,PC-id_13827649	100.073	CADXCLRTSDVODD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000807
OC1(O)C(=O)C=C1	PC-id_54040666	100.073	LMBZFVZIYPTOEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000808
FC1=C(CN1)N=C	PC-id_138620628,SCHEMBL20985440	100.094	DEFVYAMRNAQDSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000809
OC1=[N+](C(=O)C1)C	PC-id_58669102	100.096	FFRUPWBMVNXTRM-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000810
CPC1CC=C1	PC-id_89213496	100.099	BXLPUDODANGEJK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000811
CP[C@H]1CC=C1	SCHEMBL13969954	100.099	BXLPUDODANGEJK-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000812
CC1CC(=C1O)O	SCHEMBL11694262,PC-id_88819177	100.116	CBDSAGVDMCDFGC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000813
CC1C=C(O1)CO	PC-id_89419052	100.116	DBFGNQMQJXHXIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000814
C[C@@H]1OC(=C1)CO	SCHEMBL14731961	100.116	DBFGNQMQJXHXIW-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000815
COCC1=COC1	SCHEMBL13622905,PC-id_89130970	100.116	YEJRYAARWHTARU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000816
COOC1CC=C1	SCHEMBL19441366	100.116	YMQXVDYDUQADDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000817
OC1CC(=C1C)O	PC-id_53765771	100.116	DLDSAQWLCSRXIE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000818
OC1C(O)C=C1C	PC-id_85649403	100.116	ZMBYHNDXXOGGSY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000819
OC1(CO)CC=C1	PC-id_141612123	100.116	ZWKZKLLYCKWSCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000820
O(O)C1CC=C1C	PC-id_85840676	100.116	PVSJORGEZBIVHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000821
C#CC1=C(C=C1)C#C	PC-id_101567977	100.117	YSSBCMLQKUIAEP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000822
C#CC1=CC(=C1)C#C	PC-id_90925138	100.117	IRAQOGPKMAXTQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000823
N[C@]1(CO)NC=C1	PC-id_67765927,SCHEMBL9072334	100.119	RTXKOGPUAJKDDU-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000824
OCC1(NC=C1)N	PC-id_77350639	100.119	RTXKOGPUAJKDDU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000825
O(NC1CN=C1)C	PC-id_57267398	100.119	LLNVCLYOAJQFOR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000826
FCCC1=CCC1	PC-id_141177044	100.134	QEWOXLOVUFXXOW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000827
OCC1C([NH3+])C=C1	PC-id_73814077	100.139	JOLSQHPRZNOZOL-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000828
O=CC1SC=C1	PC-id_140983610	100.139	UUMRWNJPCMQDIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000829
OC[C@H]1[C@@H]([NH3+])C=C1	PC-id_21628559	100.139	JOLSQHPRZNOZOL-WHFBIAKZSA-O	00001100000000000000000000000000000000000000000000000000	06-01-000830
SC1=CC(=C)O1	PC-id_85956895	100.139	KOPMZUKOSXPBNL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000831
SC1=CC(=O)C1	PC-id_85956886	100.139	NHMUIUCFVOLESO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000832
[Si](F)C1CC=C1	PC-id_85832392	100.166	VWRGHCJGESXTJP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000833
C1CC(=C1)CS	SCHEMBL1144550,PC-id_87205279	100.182	MXBDJARFNILZBY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000834
CC1=CC(C1)S	PC-id_88884143	100.182	PVYLJEFFVZFSSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000835
CC1=C[C@@H](C1)S	SCHEMBL12146515	100.182	PVYLJEFFVZFSSK-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000836
CC1(C)SC=C1	PC-id_69503840,SCHEMBL5607062	100.182	VNMMPQUNPUZPMK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000837
CSC1=CCC1	SCHEMBL1145986,PC-id_87205349	100.182	XYPDJOSMABXJLU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000838
C=C1C=CC1Cl	PC-id_101081065	100.546	FDFPDASAVBJUDT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000839
ClCC1=CC=C1	PC-id_101081064	100.546	HLLGTYADBAPBQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000840
CN=S1CC=C1	PC-id_164118251	101.03	YDDMKKSHCFXFLW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000841
OC1=C(C(=O)N1)O	SCHEMBL5155357,PC-id_21690964	101.061	MRRDZSZXUQWAEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000842
C1C=CN1CCF	PC-id_153944781	101.064	NJLYUYMGNGIGHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000843
C#CC1=C[C+](C1)C#C	PC-id_102185841	101.125	ZVTFYONXXPKTQO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000844
[S](=O)C1=CCC1	PC-id_57440973	101.147	CXYIVFIPYUMBHG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000845
C1C=C(S1)CN	SCHEMBL14887914,PC-id_89520742	101.17	IPFFJRKNRUQHBY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000846
CC1(N)SC=C1	SCHEMBL4436485,PC-id_69043610	101.17	NLIGUZPOMIUPTJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000847
NC1=C(SC1)C	SCHEMBL18489645	101.17	OIOJGDWSPWTLEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000848
ClCC1=NC=C1	SCHEMBL17355142,PC-id_118592329	101.534	XSPNSLVEWUXXFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000849
C1=C([C-]=N1)C(F)F	PC-id_152167572	102.016	VONSVKXRLLOWLS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000850
CC1=CC[C@H]1Cl	PC-id_147364766	102.024	DHYKRKFATXNNHR-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000851
O1C(=C(O)C1=O)O	SCHEMBL5073276,PC-id_69302085	102.046	XHZHSKRONPIZTG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000852
FC1=C(O)CC1=O	PC-id_85909032	102.064	ZWXYMANFVJEUSQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000853
C1C(=CC1(O)O)O	PC-id_90185703,SCHEMBL15752196	102.089	HUAKJTSDSWDNDI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000854
N#CC1C=C([C+]1)C#N	PC-id_101003607	102.093	GXZSXDUWPULSGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000855
N#CC1=CC(=C1)C#N	PC-id_101482688	102.093	BKMBXNOVQPKJFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000856
N#CC1=C(C=C1)C#N	PC-id_101511434	102.093	WGPJYIYJSFACMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000857
N#CC1=C=C(C1)C#N	SCHEMBL8630346	102.093	DTBTVTZMUVKFTD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000858
N#C[C]1C=C([CH+]1)C#N	PC-id_101017408	102.093	PBLRLHDOOCPJSC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000859
N#CC1=C([CH][CH+]1)C#N	PC-id_101003606	102.093	WHPALNRCUCTBTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000860
C1=CC(=C1)C=C1C=C1	PC-id_101063579	102.133	IHVNNFSVKKQLGX-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-000861
C1(CC=C1C#C)C#C	PC-id_86124526	102.133	YZVYXGPTSHCVPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000862
C#CC1=C(CC1)C#C	PC-id_101105518	102.133	ABTPCLUIABMOML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000863
C=C=C1CC(=C1)C#C	PC-id_101115837	102.133	PJUKRENWJYQOIY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000864
C#C[C@@H]1C=C[C@@H]1C#C	PC-id_101389158	102.133	PEOVKUAQJYDMST-OCAPTIKFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000865
C#C[C@@H]1C=C[C@H]1C#C	PC-id_101389159	102.133	PEOVKUAQJYDMST-HTQZYQBOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000866
SOC1=CCC1	PC-id_21720633	102.155	LIPAVQKZFAONNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000867
ClC1=CCC1=O	PC-id_21558792	102.519	DICHVGMVHVJMHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000868
ClC1=CC(=C)O1	PC-id_85956893	102.519	SUHHPNCJWGDTCV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000869
ClC1=CC(=O)C1	PC-id_85787065	102.519	LFMNUCZFWHMVEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000870
N=C1NC=C1Cl	PC-id_142770800	102.522	IXFLCOLNUBWXPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000871
CC1CC=C1Cl	PC-id_88067849,SCHEMBL6953538	102.562	JXHQQMFUCZTNLR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000872
CC1CC(=C1)Cl	SCHEMBL233341	102.562	BSQJSHGJSYMPSJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000873
ClC1C(C=C1)C	PC-id_13395685	102.562	JXJZWZVJZVUYSI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000874
ClCC1=CCC1	SCHEMBL4612524,PC-id_12914390	102.562	KODVKVCKJFXBIK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000875
C1=C(C=N1)C(F)F	PC-id_152167573	103.023	PLZOLCLLVWOGBK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000876
COC1CC(=N1)F	SCHEMBL21251310,PC-id_139395059	103.095	IGCOBWIWKXGHGE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000877
C#C[CH]CC1=CC=C1	PC-id_143482974	103.141	MZVITQIDNUOZBP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000878
C1C=[N+](C1S)[O-]	SCHEMBL10968369,PC-id_88700040	103.143	KEWMAHUTDRZNFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000879
C1=C[N+](=C1Cl)[O-]	PC-id_88498037,SCHEMBL9675754	103.507	JJQOUGFMYNOEEY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000880
C1=CN(C1=O)Cl	SCHEMBL8723029,PC-id_88354357	103.507	BKMATGXFPOMRHP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000881
ClC1=CNC1=O	PC-id_53740975,SCHEMBL8723031	103.507	CUNQBPQSRSNXOT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000882
ClC1N=CC1=O	PC-id_70372527,SCHEMBL10455255	103.507	HWESGHOPKNVVFN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000883
ClC1=NCC1=O	SCHEMBL10455254,PC-id_70372526	103.507	HYEYVQACAJQVNI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000884
ClC1=CCN1C	SCHEMBL7476353,PC-id_70103782	103.55	JVAKBSOZVWQATO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000885
Cl[Si]1CC=C1	PC-id_54499360	103.602	AIASHAZJWDXXGS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000886
C1C(=C(C1=C)C)C[B]	PC-id_58969695	103.957	ADBYVEGONVBCJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000887
C1=COC1CCl	PC-id_153824204	104.003	VAVYJBRACMPKRS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000888
C1=C([C@H](N1)N)Cl	PC-id_163877121	104.014	PPVWRVGLBHWJDA-VKHMYHEASA-N	00001100000000000000000000000000000000000000000000000000	06-01-000889
C1C=CC1(C#N)C#N	PC-id_154126009	104.037	WWWPFPUVZDMTFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000890
C1C(C=S1N)N	PC-id_163712032	104.041	KKBRSXRTFOBFBC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000891
FC1C#CC1(O)F	SCHEMBL21351592,PC-id_139484432	104.055	FRNURABKXIXZGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000892
O=C1C=CC1(F)F	PC-id_119095521	104.055	SEUDHCBWBANYGM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000893
OC1C#CC1(F)F	PC-id_139484431,SCHEMBL21351591	104.055	AZVYENOZXUCBDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000894
FC(F)C1CC=C1	PC-id_85832389	104.098	BYOLPUAZARUCJV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000895
C1CC(=C1C#N)C#N	MCULE-1030795127,TIMTEC504273,PC-id_19474,SCHEMBL9423413	104.109	VMFXYPBFHHRGKQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000896
N#CC1=CCC1C#N	SCHEMBL961996	104.109	LWKVKUNGXZJKRY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000897
N#C[C@@H]1C=C[C@H]1C#N	PC-id_101389157	104.109	XZTAAPPEQBXISB-WDSKDSINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000898
N#C[C@@H]1C=C[C@@H]1C#N	PC-id_101389160	104.109	XZTAAPPEQBXISB-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000899
O=S1(=O)CC=C1	CoCoCo_5421281,LI_215977,MCULE-7285340589,PC-id_138974,EMOLS-id_32278315,ZINC22_1674465,NSC101857,SCHEMBL11136711,SPECS-id_AS-970/QB07113	104.128	SYHFISYHXDUGDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000900
S1([O-])([O-])CC=C1	PC-id_53422679	104.128	XIZQMAWCCYUREL-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-000901
C123C(CC1C=C2)C=C3	PC-id_58239419	104.149	WQECLNKUDQIUCS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000902
C123C(C=C1CC2)C=C3	PC-id_86119613	104.149	WBWUSFUYUCRGLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000903
C1CC23C1(C=C2)C=C3	PC-id_134979605	104.149	KGPLNAJMTCSYNQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000904
C1(=C(C=C1)C=C)C=C	PC-id_17985985	104.149	WWPVETQIHFFNSI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000905
C1(=CC=C1)C=CC=C	PC-id_71339428	104.149	MHWCNKZSFJMXCS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000906
C1(CC=C1C=C)C#C	PC-id_86013823	104.149	BQGLKLGUBFLWJK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000907
C1(=CC(=C)C1=C)C=C	PC-id_59449425	104.149	LPMBRTVWDNRBJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000908
C1(=CC=C)C(=C)C=C1	PC-id_85809681	104.149	CTRPDSNCPURDRL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000909
C=C=C1C=C(C1=C)C	PC-id_143345786	104.149	MILWURCPEWTEBM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000910
C1C=CS1=S	PC-id_145864652	104.194	UTHMOSSEQZCJQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000911
C1=CP=C1Cl	PC-id_89617663,SCHEMBL15015972	104.475	IPYMNUVDYSBSDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000912
ClC1=CC[N+]1=O	SCHEMBL9675745,PC-id_67903984	104.515	CSWCOCAOXJZSLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000913
C1C=C([C@@H]1Cl)O	PC-id_134555139,SCHEMBL20203402	104.535	QNRLJETTWVOKAT-GSVOUGTGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000914
Cl[Si]1=CCC1	SCHEMBL8083436,PC-id_22123667	104.61	MDFVCQZLIKNRFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000915
C1C(=CC1(F)F)N	PC-id_163778363	105.039	MMLJWQKBNVENBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000916
CC1=NCC1(F)F	PC-id_89294454,SCHEMBL14292343	105.086	GGTDGJHQJCHRRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000917
C=CC=C[C-]1CC=C1	PC-id_91374027	105.157	RDGHSIQWSHXVCD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000918
ClC1=CN=C1F	PC-id_141173185	105.498	NYQJZEXLTUPMJT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000919
[B]C1=C(C(=C)C1=O)O	PC-id_89909985	105.887	YDOVHBRVZKVBEJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000920
C1#CC(C1F)(F)F	PC-id_91225911	106.046	OOHFTJPAXWRXHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000921
FC1=C(F)C=C1F	PC-id_101916876	106.046	HGOASVQBHQQGQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000922
C1CC1C=C2CC=C2	PC-id_152357813	106.078	XATPZHXZPANJNK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000923
C1C2C31CC=C3C2=O	PC-id_102001624	106.122	NYDSJALDZKXYBQ-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000924
C(C1=NC=C1)CC#N	PC-id_142777194	106.125	ZMDOXYMRFXJTEZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000925
S1(O)(O)CC=C1	PC-id_53422680	106.144	XIZQMAWCCYUREL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000926
C1(=CCC1)CC1=CC1	PC-id_57454065	106.165	RIAPKUHBZURBGJ-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-000927
C1CC(=C1C=C)C=C	PC-id_142586	106.165	JFGIMFIUFRAQNR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000928
C1C(=CC1)CC=C=C	PC-id_57285205	106.165	UBSUXERBPCMVQN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000929
C1C(=C(C1=C)C=C)C	PC-id_59449438	106.165	BOJPAWUACADKQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000930
C1(C(=CC1=C)C)C=C	PC-id_72302072	106.165	FBGPTVABJLQQIN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000931
C1(=C(C(=C)C1=C)C)C	PC-id_11137114	106.165	SGBBSINDWMTKGW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000932
C1(=CC)C(=CC)C=C1	PC-id_86014869	106.165	LKJDSXZPGHQIFV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000933
C(C1=CC=C1)CC=C	PC-id_10999328	106.165	FPVRHAZIDAGSTF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000934
C/C=C/1C=CC1=CC	PC-id_134982470	106.165	LKJDSXZPGHQIFV-KYPMKJFLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000935
C=CC1C=CC1C=C	PC-id_90793887	106.165	GNCIRARVXMPIAA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000936
CCC1=CC(=C)C1=C	PC-id_134981975	106.165	XKGFEBQQOBWVIY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000937
CC(=CC1=CC=C1)C	PC-id_91385587	106.165	CFWNVIFUKJCQIX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000938
C=CCC=C1CC=C1	PC-id_136647210	106.165	CRHHBHDSXJJGCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000939
C=CC=CC1CC=C1	PC-id_91374028	106.165	FMZUNJXGBOCTTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000940
C=C[C@@H]1C=C[C@@H]1C=C	PC-id_101340094	106.165	GNCIRARVXMPIAA-OCAPTIKFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000941
C1C=C(C1Cl)F	PC-id_90696131	106.526	YSHPNZFVSAXJFS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000942
ClC1=C(CC1)F	PC-id_53813838,SCHEMBL563097	106.526	FQXXHYGLWIBBOA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000943
C1=C([C@H](N1)F)Cl	PC-id_163636701	106.994	IASYAHFUOZFNPK-VKHMYHEASA-N	00001100000000000000000000000000000000000000000000000000	06-01-000944
[B]C1=CC(=N1)C(=O)O	PC-id_163725406	107.018	JZLCMURFBNDBNE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000945
FC1=C(F)N=C1F	PC-id_13899145,SCHEMBL2361479	107.034	QZBPTXDKJBEALP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000946
C1C=NC1CC1C=C1	PC-id_164047834	107.073	VVVQCJNBGKIIMU-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-000947
CC
C#C/C1=C(/C)N	PC-id_163646707	107.073	IIVHGFZTRMCVQU-VOTSOKGWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000948
CCC1CC(=C1)C#N	PC-id_154244134	107.073	NIGSJFORCRCEOI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000949
CC#CC1(CC=N1)C	PC-id_163619756	107.073	HNBSQIMNZHCPOM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000950
C=C(CN)C1=CC=C1	PC-id_163596740	107.073	GUBUBDSIRAHQGA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000951
[B]C1=C(CC1)N(C)C	PC-id_161878099	107.091	KOASPUMBMZCTSY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000952
C1CC1CC1=CC=N1	SCHEMBL9395979,PC-id_67841630	107.153	WWTPHIOXVHAPCK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-000953
C1(C)(C)CC(=C1)C#N	TIMTEC131697,EMOLS-id_43618948,PC-id_91962457,MCULE-8156356140,SPECS-id_AN-153/NB23852	107.153	DSOKOJMIZYQKRY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000954
CC1=C(N)C(=C)C1=C	PC-id_143337992	107.153	WEKALDJLZNFEQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000955
CC(=CC1=CC=N1)C	PC-id_117956858,SCHEMBL16572746	107.153	HJRBEMYUIKZNNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000956
N#CC1(CC(=C1)C)C	PC-id_23264401	107.153	QMGWDNJEAWVNOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000957
N#CC1=C(CC1)CC	PC-id_57066981	107.153	JGTNDMYYDOQFFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000958
N#CC1=C(CC1C)C	PC-id_60107900	107.153	JOUPOVPIIPGMRZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000959
C1(=C(C(=C)[C+]1C)C)C	PC-id_86242022	107.173	XUNWTMQIFAQCHD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000960
BC1=C(O)C(=C)C1=O	SCHEMBL15395188	107.903	GEINPOAZYLOSGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000961
FP1(=CC=C1)F	PC-id_102305038	108.026	XKMNJABZNRMXCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000962
C=CC(=O)N1[CH-]C=C1	PC-id_153990829	108.045	QFWDQMZZSXDHPB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000963
CC=CC1=CCC1=O	PC-id_154160121	108.058	IAGYDYBVGXWSSP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000964
FC1CC(=C1F)F	PC-id_20314492,SCHEMBL251093	108.062	JXHWJDXZDSIHMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000965
FC1C=CC1(F)F	PC-id_20405525,SCHEMBL10955578	108.062	QNEVCTFAKCTFAA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000966
FC1C=C(C1F)F	SCHEMBL251094	108.062	NZXNPGGKAUSVLP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000967
FC1=CCC1(F)F	SCHEMBL821464,PC-id_13351820	108.062	RWJZUKGDCZBROA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000968
C1CC1CN2[CH-]C=C2	PC-id_153721511	108.082	ORKADVIYVUWCBS-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-000969
CCC1=C(C=C1)CC	PC-id_154382000	108.094	WQOBCFOKWUDOPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000970
CC/C=CC1=CCC1	PC-id_153858500	108.094	VOZPIUPRMZQJGO-HYXAFXHYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000971
C=CCCC1CC=C1	PC-id_154138974	108.094	BNHANHSKMJFCIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000972
C(C#C)OC1OC#C1	SCHEMBL18917397	108.095	VKSHFCOZRNQIPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000973
CC(=O)OC1=CC#C1	SCHEMBL16872884,PC-id_118205939	108.095	RCKOTJDSYPYOTL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000974
O=C1C(=C)C(=O)C1=C	PC-id_12469685	108.095	FSCMUZCLAQHVAF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000975
COC1=C(N=C1)C#N	PC-id_141629296	108.098	GXNDZOKZQFUREX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000976
N#CC1=C(N)N=C1N	PC-id_101698349	108.101	XEZZWONXCNCWFL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000977
CC1=C(C=C1)C(=O)C	PC-id_90059384,SCHEMBL15592856	108.138	GEZVHRDEQODEPH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000978
CC1=C(C)C(=C)C1=O	SCHEMBL10155562,PC-id_22979386	108.138	IRFAQNDPYBLVDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000979
C=C(C1=CCC1)C=O	PC-id_87251503,SCHEMBL1498040	108.138	RUWOAGHLHWHZLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000980
C=CCC1=CC(=O)C1	PC-id_101678020	108.138	PIQFVJZWZJQWCV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000981
C=CC(=O)C1=CCC1	SCHEMBL9573779,PC-id_20159772	108.138	SOBIDVYQLJCVPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000982
O=C1CC(=C1)C(=C)C	PC-id_10396804	108.138	HUHNZIDYVJAIHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000983
O=C1C(=C(C)C)C=C1	PC-id_556549	108.138	DZHWQCGHRGIFPZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000984
CC1=C(C)C(=N)C1=N	PC-id_89256596,SCHEMBL14137762	108.141	HYFDJDUWMSHZGN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-000985
CC(=NC1=CC=N1)C	PC-id_117956866,SCHEMBL16572759	108.141	NFOYWZIRPUDVBX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000986
CNC(=C)C1=CN=C1	PC-id_142355914	108.141	DUEXMINYZISJJE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000987
C1(C(=C(C1=C)C)C)C	PC-id_13313800	108.181	UIUQMFWWACHPSG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000988
C1(CC(=C1)C)C(=C)C	PC-id_13584095	108.181	YTARYBUHXLSZFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000989
C1(=CCC1)CCC=C	PC-id_14783372	108.181	UIOPBTOXAFMUHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000990
C1CC(=C1C(=C)C)C	PC-id_15178997	108.181	MFSGQADRKFXYJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000991
C1(=CCC1)C(C)C=C	PC-id_15587834	108.181	BSSMUZRGEYHULW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000992
C1(=C(C(=C1C)C)C)C	PC-id_189856	108.181	CIWDWKYVVUPNTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000993
C1(=CC(=C1)CC)CC	PC-id_21364081	108.181	CJBLNICNVXGTTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000994
C1C(=CC1)CC=CC	PC-id_57222481	108.181	FYROTVQCCAKVQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000995
C1(C(=CC1)CC)C=C	PC-id_86113753	108.181	FGCDCHQGLXTFNI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000996
C1(C(C)(C)C#C1)(C)C	PC-id_59660467	108.181	VIBBIDYLRREORA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000997
CC1(CC=C1)/C=CC	PC-id_144809907	108.181	JCQJURXYNTWVAN-HYXAFXHYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000998
CC1=CC(=C(C)C)C1	PC-id_101166250	108.181	PHWLFFYZXGQHGE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-000999
C/C=C/1CC(=C1C)C	PC-id_134902468	108.181	SLPXDGRXYODLSV-XBXARRHUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001000
C(CC1=CC=C1)CC	PC-id_21904016	108.181	DGUMTHYOAXFLFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001001
CCC1(C#CC1C)C	PC-id_90896534	108.181	IXTYCPLFZHFBNA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001002
CCC1=C(C(=C1)C)C	PC-id_91322117	108.181	JCVHMCXVDWGLOA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001003
CCC1=C(C)C=C1C	PC-id_144523690	108.181	SSIUGFWAVJWQEA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001004
CC(/C=C
/CC=C1)C	PC-id_140611091	108.181	NUGWQBFNPZLNCP-SOFGYWHQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001005
CC(=C)C1CC=C1C	PC-id_143370184	108.181	JKLCLRMNVFFZHK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001006
CCCC1=CC=C1C	PC-id_91132485	108.181	KAGKTIBMAJHYPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001007
CC(C)(C)C1=CC=C1	PC-id_134977020	108.181	AJFGHJXTXMVZPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001008
CC(=C)CC1=CCC1	PC-id_91077134	108.181	WAXMGAOFHBTBNF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001009
C1=CC(C1[Si])[Si]	PC-id_91501722	108.246	VWBWZEPDAAWQGI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001010
C
C=C/C1=C/CN=O	PC-id_163797673	109.053	NCGDGRAJVVZGPC-XQRVVYSFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001011
C1=CC(=C1)CC(=O)N	PC-id_163626223	109.053	HSFXBDLEARMNEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001012
C1CC(=C1)CN=C=O	PC-id_154381037	109.053	YUHFZOHCUMRKJZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001013
C1C=CC1(CO)C#N	PC-id_164605445	109.053	DTNLNTYJUDEVEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001014
C=CC(=O)N1CC=C1	PC-id_153990830	109.053	VXULWVVIGSTUGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001015
C1CC1CN2CC=C2	PC-id_149383417	109.089	YMCIQHLJGXTLKN-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-001016
C1=CC(=C1)CCCN	PC-id_146777644	109.089	RTANLVHEDLYZLQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001017
C
C=C/C1=C/CCN	PC-id_164033859	109.089	VKHVXDUYRVTNTA-ALCCZGGFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001018
CC1=CC=C1C(C)N	PC-id_164127218	109.089	YKOJJBKPTDVLQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001019
CC1=CC(N1)C(=C)C	PC-id_163768159	109.089	MEDFEUCZTRETIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001020
CC1C(N=C1C=C)C	PC-id_163815982	109.089	NRJJFEWHFZJSNO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001021
C/C=CC1C=NC1C	PC-id_163565358	109.089	FUSNILZECRVWDJ-ARJAWSKDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001022
CCCC1=NC(=C1)C	PC-id_163940961	109.089	RQXNOINYNTXOEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001023
C/C=C(/C)C1CC=N1	PC-id_164072648	109.089	WQNJMEYYXNUDCR-UTCJRWHESA-N	00001100000000000000000000000000000000000000000000000000	06-01-001024
CN=CCC1=CCC1	PC-id_164105519	109.089	XSKGEEMUPOYLBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001025
[O-]C1=C(C(=O)C1=C)C	PC-id_23558481	109.103	ZEIYJLBLPXZNBA-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001026
CC1=C(N=C1C=O)C	PC-id_87704400	109.126	MTPPKGXNZFORKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001027
CC1=C(N)C(=C)C1=O	PC-id_143345695	109.126	FKWXRLWWSFXBEV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001028
C(C1=COC1)CC#N	PC-id_144686898	109.126	QVIREHXJCDPLJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001029
COC1=C(CC1)C#N	PC-id_119097627	109.126	BHJHWGLTWKVUAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001030
N=C[C@H]1C=CC1C=O	SCHEMBL16229919,PC-id_117691878	109.126	IMZIVUSNEWQTKM-LWOQYNTDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001031
O(C1=CC(C1)C#N)C	PC-id_13204887	109.126	LWULCULWNBGUDJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001032
O=CC1N=CC1=CC	PC-id_142770264	109.126	MBMMSIDFRUNPSP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001033
C1CC(=C1)CN=[N+]=[N-]	PC-id_134830640	109.129	LKURRAJNZBPWOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001034
CC1=C(N)C(=N)C1=N	PC-id_59755458,SCHEMBL12432552	109.129	ROVLXAAPOJKCJE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001035
CC1(CC=C1C)C=N	SCHEMBL18834549	109.169	IPJHSYBJGITFSA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001036
CC1=C(C(=C)C1C)N	PC-id_143341998	109.169	UMQMJLKXEWFVID-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001037
CC1=CC(=N1)C(C)C	PC-id_144513137	109.169	GRMBUORVKNIDLN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001038
CCC1=CC(=N1)CC	PC-id_142783238	109.169	HPRPJPQCEHPITJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001039
CCC1=NC=C1CC	SCHEMBL11809004,PC-id_68135013	109.169	FYBXXYPAOIZYPQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001040
C/C=C
/N=CC1(C)C	SCHEMBL17068044,PC-id_118358664	109.169	RTQCBVJJBVIVIW-GQCTYLIASA-N	00001100000000000000000000000000000000000000000000000000	06-01-001041
C/C=CC1=C[C@H](N1)C	SCHEMBL21215423	109.169	ULIVFMAYRNAGFY-KGJQDRRLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001042
CC(=C)C1(CC=N1)C	PC-id_134897856	109.169	LBJPGFFEQWBASE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001043
C/C=CC1=CC(N1)C	PC-id_139363665	109.169	ULIVFMAYRNAGFY-ARJAWSKDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001044
CC(CC1=NC=C1)C	PC-id_142777178	109.169	MJEZVZBPRIBWAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001045
CCC(=C)C1=CNC1	PC-id_143349268	109.169	FJQZRLKKKCFSNT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001046
C/C(=CC)/C1=CNC1	PC-id_143757124	109.169	JVTRAATUPIYCHF-ZZXKWVIFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001047
CCCCC1=NC=C1	PC-id_142766088	109.169	YHWPYTNGJSUPTM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001048
CC(=N)C1CC=C1C	PC-id_118457589,SCHEMBL17188899	109.169	DNNJVZYEOFNSQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001049
CN(C)CC1=CC=C1	PC-id_134977270	109.169	NTVFRBPNOQUOKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001050
N(=CCC)C1=CCC1	PC-id_59652080	109.169	OJOJSKQJDLGODE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001051
C1([C+](C(=C1)C)C)(C)C	PC-id_85801833	109.189	FITMNNAVPCMRQO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001052
C1([C+](C=C1C)C)(C)C	PC-id_85852871	109.189	TXWXAHBSFPUERT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001053
CCCC[C-]1CC=C1	PC-id_91582559	109.189	IDAFRAGUYHJVDK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001054
C1(C(=C(O1)F)F)F	PC-id_153733091	109.998	IASQZTDBVJBZCD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001055
C1=C(C(O1)(F)F)F	PC-id_153733092	109.998	BABFFVXXTNDCSH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001056
C1=C(OC1(F)F)F	PC-id_153733093	109.998	BMNNNSVALCDREP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001057
C1=C=[S-](=C1)CC#N	PC-id_164017880	110.007	NKATVJBAAWMCCS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001058
C1=C([C-]=N1)C(=O)CO	PC-id_153943517	110.025	VDZCUTIRFNDMCZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001059
C=C1CC(=C1)C(=O)O	PC-id_154029647	110.037	QDIGVWWRTYJGDO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001060
CC1=C(C(=C1[O-])C)[O-]	PC-id_149399874	110.038	YPEJLCYJDIDZDA-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-001061
C1C=CC1C=[N+]=CO	PC-id_163732993	110.06	FZQIZELAYKHIHM-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-001062
CCC(=O)N1[CH-]C=C1	PC-id_153914852	110.061	NKTBSBRIUXGVMK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001063
[O-]C1=C([N+]#N)C(=O)C1	PC-id_15004626	110.071	CXHLIMMNBMFSFM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001064
C1CC(=C1)OC2CC2	PC-id_152535542	110.073	YKLGYBRQDQWKRX-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-001065
CC(=N)C1C=CN1C	PC-id_164174206	110.084	ZYBRAKJJTDXVMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001066
CN(/C=C
/CC=C1)N	PC-id_160821489	110.084	SFPLOLXOUVYILF-AATRIKPKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001067
CC1=CC=C1C(=O)O	PC-id_91252808	110.111	PLQAETZJEQKLFK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001068
CC1=C(C)C(=O)C1=O	SCHEMBL6124929,PC-id_136886	110.111	XSPNWUVAVYEPBO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001069
CC1=C(O)C(=C)C1=O	PC-id_23377122,SCHEMBL10035859	110.111	ZEIYJLBLPXZNBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001070
CC1=C(O)C(=O)C1=C	PC-id_20614175,SCHEMBL12156967	110.111	VLOGFAKVNRAOBY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001071
C=CC1=C(C(=O)C1)O	SCHEMBL12156969,PC-id_58489239	110.111	JXXVROWHFAMMCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001072
O=C1C(=CC1=O)CC	PC-id_15001733	110.111	WZSTUCNMFDQIHS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001073
[O-]C1C(=C([O-])C1=C)C	PC-id_22983427	110.111	GOVIBHMVAKIOGH-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001074
[O-]C1=C(C(=O)[C+]1C)C	PC-id_60085871	110.111	YCDQCXYRXVJMRZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001075
O=CC1CC(=C1)C=O	PC-id_53980442	110.111	RQSPFNDDOCDXNI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001076
O=CC1C=CC1C=O	PC-id_54419332	110.111	VZRIRYXFOGVJHP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001077
O=C[C@@H]1C=C[C@@H]1C=O	PC-id_100937530	110.111	VZRIRYXFOGVJHP-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001078
O(C(=O)C1=CC=C1)C	PC-id_11345687	110.111	CDVSDRFKUBJVRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001079
OC(=O)CC1CC#C1	PC-id_145579436	110.111	LWBRGQNXQFKBHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001080
CC1=NC=C1C(=O)N	SCHEMBL4144188,PC-id_68930108	110.114	ANAQOMZYLLAGKS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001081
CNC(=O)C1=NC=C1	PC-id_23164916,SCHEMBL9803367	110.114	MCQDEQRPPWPVPH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001082
N1=C(C(=C1)N)C(=N)N	PC-id_20436371	110.117	SXGZURACIHRINA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001083
N1=C(C(=N)C1)C(=N)N	PC-id_57078863	110.117	IUESCSKATGLDFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001084
NC1=C(N)C(=N)C1=N	PC-id_59755511,SCHEMBL12432545	110.117	UDLQAUDXWHJWIT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001085
NC(=N)C1=CN=C1N	PC-id_145803449	110.117	GDMZONXYOVCAOR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001086
CC1CC(=C1)C(=O)C	PC-id_91350587	110.154	KKDZQFHPGPLVQJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001087
CC1C(=C(C1=O)C)C	PC-id_14643726,SCHEMBL13228008	110.154	BPLPQJRDQDUXLQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001088
CC1=C(C)C(=C1O)C	SCHEMBL17370961	110.154	FICPHQDDDIXIOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001089
CC(C1CC#C1)(O)C	SCHEMBL17996890,PC-id_122470983	110.154	DLYXUDCOGWXWHF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001090
CC(C1(O)CC#C1)C	SCHEMBL17996891,PC-id_122470984	110.154	NLVSLWQDFUJMPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001091
CCCC1C=CC1=O	PC-id_141729822	110.154	KGFBWJKRIPWBIK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001092
CC(CC1=C=CC1)O	PC-id_88970289	110.154	PBWNJHQNDQWGBQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001093
CC(C)(C1=CC=C1)O	PC-id_90759965	110.154	BIHGLBHCZSQNRH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001094
C=CC(C1=CCC1)O	PC-id_91213086	110.154	WNXSZVBRGZRKJP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001095
CCC(=O)C1=CCC1	SCHEMBL11949184,PC-id_88858265	110.154	VLZMCOCYRKJPKB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001096
C=CCOC1=CCC1	SCHEMBL8157783,PC-id_88256864	110.154	CKAAORBACGWVSN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001097
C[C@@H](CC1=C=CC1)O	SCHEMBL12847557	110.154	PBWNJHQNDQWGBQ-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-001098
CC(=O)CC1=CCC1	PC-id_54089985,SCHEMBL989411	110.154	MTDWHBGJLHMVSP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001099
O1C(CCCC)C#C1	PC-id_21270658	110.154	CPPFRLQRMFGTAB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001100
O=C1C(C=C1C)(C)C	PC-id_12221409	110.154	JMYOWHVVIGCERW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001101
OC1C(=C(C1=C)C)C	PC-id_143573738	110.154	HIPZSQOXGBHISO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001102
O(C1=C(CC1=C)C)C	PC-id_20600471	110.154	KBCFVLDKWRXHDX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001103
O=C1CC(=C1C)CC	PC-id_60130873	110.154	QTVJNQAYFSLFLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001104
O=C1CC(=C1)CCC	PC-id_71325773	110.154	LCXCTAJBYMLUMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001105
O=C(C1C(C=C1)C)C	PC-id_12465940	110.154	IHUHAYRJJLYQRZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001106
O=CC1=CC(C1)(C)C	PC-id_138617549,SCHEMBL20981827	110.154	CARAWRLMQBIBRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001107
O=C(C1=C(CC1)C)C	PC-id_15560815	110.154	OXRAKTPGEOKFIB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001108
O=C(C1CC=C1)CC	PC-id_20818636	110.154	GWJUWSRAOJLABL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001109
O=CC1(CC(=C1)C)C	PC-id_23264403	110.154	BKCNNPKSCPJYHY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001110
O=C(C1CC(=C1)C)C	PC-id_45084987	110.154	QROFDWZJGCVFLD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001111
O=CC1=C(CC1C)C	PC-id_60107901	110.154	WBYFZUGQVMUXFJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001112
O=C(CC1CC=C1)C	PC-id_21344977	110.154	YLBWUGSBPBZXCF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001113
CC1(C=NC1=CN)C	PC-id_90126969	110.157	PNUOAUSHFOTVFZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001114
CCNC1=C(N=C1)C	SCHEMBL18487880	110.157	VIJHWZOSQVNWCM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001115
CN=C1CC(=C1)CN	PC-id_137104031	110.157	YRQLFKGKULHJAK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001116
CNC1=C=C(C1)CN	SCHEMBL17780218	110.157	QAXAEPXTGRTNMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001117
N/C=C
/N=CC1(C)C	SCHEMBL15679932	110.157	PNUOAUSHFOTVFZ-HWKANZROSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001118
NC([C@@H]1C=C=C1C)N	PC-id_118641896,SCHEMBL17413344	110.157	OSWUSKBVIOGLTN-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001119
C1(CC=C1)(CCC)C	PC-id_12628176	110.197	IVXANIWUYHIZQC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001120
C1(C(C=C1C)C)(C)C	PC-id_14173185	110.197	GCXOGNHFCVILBX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001121
C1(C(C(=C1)C)C)(C)C	PC-id_14173186	110.197	JTJZXLFBDNOOOE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001122
C1(CC(=C1)C)CCC	PC-id_14434507	110.197	TWUTZLISWNBMHY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001123
C1(=CCC1)CCCC	PC-id_15257393	110.197	OGZARXHEFNMNFQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001124
C1(C(C=C1)(C)C)(C)C	PC-id_21040088	110.197	ULJWJSILGIRASN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001125
C1(C(C=C1CC)C)C	PC-id_21428499	110.197	XKNYJDGPOPMDKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001126
C1(CC=C1)(CC)CC	PC-id_21635982	110.197	PVUMNWVPJSAOTR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001127
C1(C(C=C1)CC)CC	PC-id_22507467	110.197	GYXFSHBBGUQBDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001128
C1(CC=C1C)CCC	PC-id_23398251	110.197	OSDZBTYPWFSXAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001129
C1(C(C(=C1C)C)C)C	PC-id_565395	110.197	YBYPDQPOSUFAHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001130
C1(=C(CC1)C)C(C)C	PC-id_59455273	110.197	PBRFJMASRJKTDT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001131
C1(C(C)C)(CC=C1)C	PC-id_12628175	110.197	RZOFPNBZQWSYDO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001132
C1(C(C)(C)C)CC=C1	PC-id_15367137	110.197	FZBNRBFHQXNXHG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001133
CC1=C(C(C1)(C)C)C	PC-id_54020330	110.197	KYLWWSSCPINBQF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001134
C(C1=CCC1)(C)(C)C	PC-id_58579562	110.197	ANAOWABBMUYDCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001135
CC1C=CC1C(C)C	PC-id_91321936	110.197	SKKVTZMFANHYMF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001136
CC1=CC(C1)C(C)C	PC-id_91422988	110.197	SFJXRHKKGBNFBD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001137
CCC1CC(=C1C)C	PC-id_56621762	110.197	BXLXCDVDICDXIV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001138
CCC1C=C(C1C)C	PC-id_91039625	110.197	IMSYJGLEFNAUQG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001139
CCC1=C(CC1)CC	PC-id_91124898	110.197	ZNHAXSHWILSFHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001140
CCC1(CC(=C1)C)C	PC-id_91487140	110.197	JRFVAHSGCKFLDY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001141
CC([C@@]1(C)CC=C1)C	PC-id_100918451	110.197	RZOFPNBZQWSYDO-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001142
CCCC1=CCC1C	PC-id_54228103	110.197	LNAOJNKMSMNRCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001143
CCCC1=C(CC1)C	PC-id_90732358	110.197	IWUNZZXMPQAFHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001144
CCCC1C=CC1C	PC-id_91313865	110.197	CPPOQYJWFNULRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001145
CCCCC1CC=C1	PC-id_88620035	110.197	RUSVGDYEFBMHEW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001146
CCC(C)C1=CCC1	PC-id_90998631	110.197	KHJKLDOWTLZWQS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001147
CC(C)CC1=CCC1	PC-id_91565877	110.197	STZVLDBQRYISDD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001148
CCC(C)C1CC=C1	PC-id_91571022	110.197	GAOHFJAJRDNDOW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001149
CC[C@H]1C=C[C@@H]1CC	PC-id_102289755	110.197	GYXFSHBBGUQBDP-YUMQZZPRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001150
C[C@@H]1[C@H](C)C(=C1C)C	PC-id_101281695	110.197	YBYPDQPOSUFAHC-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001151
C[C@H]1[C@H](C)C(=C1C)C	PC-id_101916527	110.197	YBYPDQPOSUFAHC-WDSKDSINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001152
[Si]1(=C(C(=C1)C)C)C	PC-id_69300071	110.229	CFFIVCPRQFUTKJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001153
C1=C([C-]=N1)NC(=O)O	PC-id_161070421	111.02	UEOSTTOTKSYLHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001154
C1=NC(=C1N)C(=O)[O-]	PC-id_164056107	111.02	WCUZNVOJXQKDNP-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001155
C1=C(C=N1)C(=O)CO	PC-id_153943518	111.032	XHZRCFXRBAMCFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001156
O=C1NC(=O)C1=[N+]=[N-]	PC-id_140357815	111.059	TWXYHDDQFSFNDK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001157
CC1CC(=C1C)N=O	PC-id_161329271	111.068	VLETZZPNUKSKNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001158
CCC(=O)N1CC=C1	PC-id_147164115	111.068	BWKNRASJMDHLNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001159
[O-]C1=C(C(=O)C1=O)C	PC-id_40429579	111.076	JRJQBJOVGCNYHI-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-001160
OC1=C([N+]#N)C(=O)C1	PC-id_15004627	111.079	CXHLIMMNBMFSFM-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-001161
CC1=C(N)C(=O)C1=O	PC-id_22354419,SCHEMBL12331526	111.099	SJEAHUFYAKVPDS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001162
C/C(=C
/C=NC1=O)/O	PC-id_135966118	111.099	MMUGTZXYYRJIOE-ONEGZZNKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001163
C/C(=C/1C=NC1=O)/O	PC-id_135970851	111.099	MMUGTZXYYRJIOE-ARJAWSKDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001164
CC(=C1C=NC1=O)O	PC-id_136247306	111.099	MMUGTZXYYRJIOE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001165
CNC1=CC(=O)C1=O	SCHEMBL14952687,PC-id_15723185	111.099	YMCHTFKCKKRRGC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001166
COC1=C(N=C1)C=O	PC-id_142798129	111.099	WWMTZCFKUDLMFQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001167
COC(=O)N1CC#C1	SCHEMBL18886879	111.099	PFFJGODXOAEIFY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001168
O=C1NC=C1C(=O)C	PC-id_15446451	111.099	UJCGKSGIHVBHKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001169
OC(=O)C1=NC=C1C	PC-id_23218961	111.099	MOUJPTONFPAYME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001170
OC(=O)CC1=NC=C1	SCHEMBL6679099,PC-id_69862750	111.099	WRZSDUCTSIGPHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001171
[N-]=[N+]=NCC1=COC1	PC-id_140533487	111.102	IHXKZUCYYVAVJB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001172
CC1C=CC1CNC	PC-id_164176345	111.105	ZZXKFNCKNOBGHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001173
CCC1C=CC1NC	PC-id_162008284	111.105	YTDBCOITMPCOOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001174
CCC1=C(CN1C)C	PC-id_163554425	111.105	FLUNYGCIJPQXKQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001175
CCC1C=NC1CC	PC-id_163970691	111.105	SPTBVOSHKXDSKO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001176
CCC1=CN(C1)CC	PC-id_164008606	111.105	UPEMZNBAPDAADH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001177
CCCC1=CCC1N	PC-id_154233995	111.105	KXEQLFWKBQNUEZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001178
CC(CC1CC=C1)N	PC-id_163951338	111.105	RZOUGKNELMFRSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001179
CC(C)C1C=CN1C	PC-id_149153443	111.105	RMNWTHMQTDTKGG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001180
CCCC1C=NC1C	PC-id_163971919	111.105	SQSLMOJEJOEVRW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001181
CCCCC1=CCN1	PC-id_153993853	111.105	VUQMCMYLEQSHJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001182
CCCCC1=CNC1	PC-id_147559322	111.105	FSHUZDOQUPKRMO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001183
CCC[C@@H]1CC(=C1)N	PC-id_163573313	111.105	GBGSACZBGZMYOH-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-001184
CC(C)(C)N1CC=C1	PC-id_155138989	111.105	BUYPVDABCRMZQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001185
CC(C)NC1CC=C1	PC-id_163929634	111.105	RHPDGBJMHDOULF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001186
CCN(C)C1=CCC1	PC-id_146966294	111.105	ALOIIPZKVZOBGW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001187
CCN(C)C1CC=C1	PC-id_148447535	111.105	XVABJXHWLVONCJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001188
CCNCC1=CCC1	PC-id_163731920	111.105	LAHGNZDPZOQKMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001189
CNCCC1=CCC1	PC-id_147215402	111.105	CFZYWJWCLUDUQR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001190
CNCCC1CC=C1	PC-id_160057592	111.105	OPCFYQMAHIZNDT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001191
CC1(CC=C1)C(=O)[O-]	PC-id_134887059	111.119	OAMKKERMMGIDIW-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001192
[O-]C1=C(C(=O)C1C)C	PC-id_23514807	111.119	ZSADIOZWRMCYNY-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001193
OC1=C(C([O-])C1=C)C	PC-id_58652210	111.119	GOVIBHMVAKIOGH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001194
OC1=C(C(=O)[C+]1C)C	PC-id_60085872	111.119	YCDQCXYRXVJMRZ-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-001195
C1CC(=C1)CC(=O)N	SCHEMBL8771756,PC-id_88363346	111.142	FDCNQGUVUQLSNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001196
CC1CC=C1C(=O)N	PC-id_87196191,SCHEMBL1076248	111.142	UHMAJHGQPWHXRI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001197
CC1CC(=C1)C(=O)N	PC-id_88766452	111.142	CBWXTDMIWWEVEW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001198
CC1(CC(=C1)O)C=N	SCHEMBL19375204	111.142	CYLCTMRXNMIMJV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001199
CC1=C(C(=O)C1C)N	PC-id_143342566	111.142	KISNBHGFAVTVMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001200
C/C=CC1=C(CN1)O	SCHEMBL19992403,PC-id_134364975	111.142	GPNHFWJTJBKMRR-IHWYPQMZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001201
CC([C@@H]1C=NC1=O)C	PC-id_58112528,SCHEMBL12909268	111.142	OGJKGILPSFPJGR-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001202
CC(OC1=NC=C1)C	PC-id_118139499,SCHEMBL16794146	111.142	VZWLLTOEANANLJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001203
CC(=O)NC1=CCC1	PC-id_117800677,SCHEMBL16372323	111.142	KVIWMJTWUGQFKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001204
CN(C1=CCC1)C=O	PC-id_144790112	111.142	ZFMHWOCUGSDHQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001205
CN(C1=CCC1=O)C	PC-id_101267391	111.142	PTMHVFYTLPNPGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001206
CNC1=C(C(=O)C1)C	PC-id_143337964	111.142	VSOPHTVBAUGATP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001207
CNC(=O)C1=CCC1	PC-id_88069719,SCHEMBL6973305,EMOLS-id_96476160	111.142	FBULOTIKUICNSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001208
CNC(=O)C1CC=C1	SCHEMBL6966349,PC-id_86619858	111.142	WLXUBQUSMZUVDT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001209
O1C(=CC1=C)N(C)C	PC-id_86184702	111.142	ADYZKHBSEIQYGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001210
O=C1C(C(=C1)N)(C)C	PC-id_55289604	111.142	SQWFEHHNAHLPJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001211
O=C1CC(=C1)N(C)C	PC-id_86184703	111.142	UWWHUJTZMKMRMH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001212
O=CC1=C(C(N1)C)C	PC-id_144654605	111.142	RBOGDUMFTDQSFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001213
C1CC=C1SC#N	SCHEMBL19309116	111.165	UNZFPOFGESTJBM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001214
CC1CC(=C1CN)C	SCHEMBL14390865,PC-id_89322639	111.185	GAUVEGFABJMJQF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001215
CC1=CN(C1)C(C)C	SCHEMBL1117839,PC-id_66910848	111.185	DKFQBWSGHGEGLH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001216
CC(C1CC=C1C)N	SCHEMBL18677132	111.185	JYRKNXUGTHEHSJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001217
CC(C1NC=C1)(C)C	SCHEMBL12370908,PC-id_58408076	111.185	RACLPGIRKUPRAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001218
CC(C)C1=CN(C1)C	PC-id_89008139,SCHEMBL13064334	111.185	GQFBSAYPZKKOOX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001219
CN(C1=C(CC1)C)C	SCHEMBL17806023,PC-id_121382510	111.185	ITPIDQCVSQHJPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001220
CNC1(C)CC(=C1)C	PC-id_145398502	111.185	HDOAQHBSCHFLBU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001221
CN(CC1=CCC1)C	PC-id_89496956,SCHEMBL14856097	111.185	BTIFYDIIZSPOQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001222
N1=C(C(C1C)(C)C)C	PC-id_54474296	111.185	XKLQDZOULDWGAL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001223
NC(C1=CCC1)(C)C	PC-id_12540591	111.185	YMLWPRVTXPKPHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001224
NCC1(CC(=C1)C)C	PC-id_23264406	111.185	ZPZJGYJKXXTWQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001225
NCCCC1CC=C1	PC-id_142973740	111.185	UBKRTBGQQVLMQO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001226
C1=C(C(=N1)C(=O)O)N	PC-id_164056108	112.027	WCUZNVOJXQKDNP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001227
C1=C(C=N1)NC(=O)O	PC-id_161070422	112.027	IVSSWVMVWRVDFL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001228
C1C(=NC1=O)C(=O)N	PC-id_163555184	112.027	FMKUKTIWMNZAJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001229
B([O-])([O-])OC1=CCC1	PC-id_153979085	112.034	BHMZOUNBMPFUDY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001230
COC(=C1C=CN1)[O-]	PC-id_153944754	112.04	MPFZXEUFEQZDAM-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001231
O=C1C(=O)C(=C1[O])[O]	PC-id_5488007	112.04	KDAVZOLBYGNLGF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001232
[O-]C1=C([O-])C(=O)C1=O	CHEBI:59712,PC-id_46878493	112.04	PWEBUXCTKOWPCW-UHFFFAOYSA-L	00000100000000000000000000000000000000000000000000000000	06-01-001233
CC1=CC(C1)C(=O)O	PC-id_149886490	112.052	CEGWDQMAHOLTKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001234
C1CC(=C1)NC(=O)N	PC-id_154389839	112.064	BVBNREFMMYTCCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001235
CN(C)C1=C[N+](=C1)[O-]	PC-id_163652283	112.064	INFHLQZOWKLHGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001236
CC1(C(=CN1C)[O-])C	PC-id_147533979	112.077	KWSCIXPKTGABEV-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001237
CCN(C1CC=C1)[O-]	PC-id_163881779	112.077	VAMHOXQENPVDRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001238
CC1=C(O)C(=O)C1=O	SCHEMBL791769,PC-id_186131,SPECS-id_AS-970/QB06653,SPECS-id_AS-970/QB06638	112.083	JRJQBJOVGCNYHI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001239
O=C1C=C(OC)C1=O	SCHEMBL2773004,UNPD117774,CNP0248390,PC-id_15723184	112.083	MJEZXSAOERBSKK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001240
OC1=C(O)C(=C)C1=O	PC-id_57879661,SCHEMBL12619913	112.083	GOFKPCDEDKXSLI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001241
C1=CN=C1C(=O)NO	PC-id_88184032,SCHEMBL7675484	112.087	BDYXHVFUKWOIMT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001242
NC1=C(C(=O)C1=O)N	SCHEMBL1207344,EMOLS-id_927572,PC-id_2781329,MCULE-4129663118,TIMTEC534461,ZINC22_100018661	112.087	WUACDRFRFTWMHE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001243
NNC1=CC(=O)C1=O	SCHEMBL2775767,PC-id_54349031	112.087	SRWKQMHDNKGXNL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001244
[O-]C1=C(N)[C+]([C+]1N)[O-]	SCHEMBL11035916	112.087	CVHMZSGWLOFYID-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-001245
OC1=C(N)C(=O)C1=N	PC-id_22808670	112.087	ZLNSMWNQGKMEHD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001246
O=C1N=CC1NC=O	PC-id_85798364	112.087	CUDXLGFKECFOFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001247
[O-][N+](=O)C1=CC(=C1)N	PC-id_55291228	112.087	LNFJWNKTCFUMCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001248
[O-][N+](=O)C1=CC=C1N	PC-id_55291230	112.087	KSNMMUBUZPIIED-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001249
CC(C)OC1CC=C1	PC-id_153805147	112.089	JHYMXJZPDLWICQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001250
CCCOC1CC=C1	PC-id_153805683	112.089	NPHNPNNZCIKDDK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001251
C1CC(=C1CN)CN	PC-id_154222054	112.1	XATFLQUWJZUCBB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001252
FC1=CN[C@H]1CC#N	SCHEMBL19153615	112.105	QQIWMUJALJAIGC-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001253
P1(CC=C1)CC=C	PC-id_85985279	112.109	QHWIADKOTVJYHF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001254
CC1=C(CC1)C(=O)O	SCHEMBL623976,PC-id_21615772	112.127	JPSQOKMURYHGDA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001255
CC1=C(C(=C1O)C)O	SCHEMBL13410856,PC-id_89080587	112.127	YPEJLCYJDIDZDA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001256
CC1=C(C(=C)C1O)O	PC-id_22983428,SCHEMBL791855	112.127	PCJFPRGZQVOXNG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001257
CC1C=C(C(=O)O)C1	PC-id_14693477,MCULE-7037966339,SCHEMBL57284	112.127	KEPOHQOWBYUEQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001258
CCC1C=C(O1)C=O	PC-id_91348084	112.127	RRTWQKYYEUEICL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001259
CCC(=O)C1=COC1	PC-id_89169321,SCHEMBL13776654	112.127	FMLLQDKXBKYIPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001260
CC(=O)OC1=CCC1	PC-id_19917616,SCHEMBL25113	112.127	VOLSCWDWGMWXGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001261
COC(=O)C1=CCC1	EMOLS-id_49825261,SCHEMBL43992,PC-id_11389373,ZINC22_88189771,MCULE-5016158090	112.127	JMIOIWRHSVRPJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001262
COC(=O)C1CC=C1	SCHEMBL6965861,EMOLS-id_110002284,MCULE-5080142799,PC-id_86178729	112.127	BZWAIHGCFIBCQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001263
COC(=O)[C@H]1C=CC1	ZINC22_143076629	112.127	BZWAIHGCFIBCQL-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001264
COC(=O)[C@@H]1C=CC1	ZINC22_143076815	112.127	BZWAIHGCFIBCQL-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001265
O1C(=C(C1=O)C)CC	PC-id_69991373	112.127	VVFFAUMLTXWMAZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001266
O1C(COC)(C)C#C1	PC-id_20682618	112.127	HJGFSKVNIFPVFJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001267
[O-]C1C(C(=C1C)[O-])C	PC-id_22957356	112.127	TVDBYGFFFHPBMH-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001268
O(C1=CC(=O)C1)CC	PC-id_11789159	112.127	WGEBDBGRIQNRAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001269
OC1=CC(=O)C1(C)C	PC-id_21919737,EMOLS-id_96233911,SCHEMBL2988846	112.127	YBDQYYSBKZGEFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001270
O(C1=C(C(=O)C1)C)C	PC-id_51356375	112.127	JAXYJJWWRJROSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001271
OC1=C(C(=O)C1C)C	SCHEMBL13286825,PC-id_23423333	112.127	ZSADIOZWRMCYNY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001272
O(C1(C(=O)C=C1)C)C	PC-id_10329268	112.127	ZLOXHFHVSYFUDD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001273
OC(=O)C1(CC=C1)C	PC-id_55299511	112.127	OAMKKERMMGIDIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001274
OC(=O)CC1=CCC1	SCHEMBL15466875,PC-id_12592087	112.127	ULKPOXHLUZKEGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001275
CC1C(=C(C1=O)N)N	PC-id_142180685	112.13	BJECHDWWXZMHEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001276
C1(C(=C(C1=N)N)N)N	PC-id_89327994	112.133	ALUYSEHKPKWPJC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001277
N[C@@H]1C(=C(C1=N)N)N	SCHEMBL14401563	112.133	ALUYSEHKPKWPJC-SFOWXEAESA-N	00001100000000000000000000000000000000000000000000000000	06-01-001278
NC(=N)C1CN=C1N	PC-id_138546586,SCHEMBL20901710	112.133	JEBCSQVKDORVOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001279
O=C([N+]1(CC=C1)C)C	PC-id_58870498	112.15	OVKYVZAQPMJKJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001280
CC1=C(C(O1)(C)C)C	CHEBI:51196,PC-id_25137907,SCHEMBL16659500	112.17	ZDZUJEFODBVQAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001281
CCC1=C(CC1)CO	PC-id_89990642,SCHEMBL15500507	112.17	XMNZEWQIOSBQGD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001282
CCC1=C(CC1C)O	SCHEMBL1944957,PC-id_87314762	112.17	LXDPEXNDPHCUPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001283
CC(C1=CCC1)(O)C	PC-id_118686154,SCHEMBL17468172	112.17	DTGKBRDWKJANHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001284
CC(C1OC=C1)(C)C	PC-id_58407983,SCHEMBL12370905	112.17	ZAMIFAFGSVGFSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001285
CC(C)[C@@]1(C=CO1)C	PC-id_135011887	112.17	GTZVMCWTBBEDSX-ZETCQYMHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001286
CCCCC1=COC1	PC-id_141123822	112.17	OCUWJFFGUIVLCG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001287
CC(OC1=CCC1)C	PC-id_140002592	112.17	MDXKEIIOESOHBR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001288
CCOC1=C(CC1)C	SCHEMBL16862690,PC-id_118197237	112.17	CXJUPXDDEXQOOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001289
O(C1(CC=C1C)C)C	PC-id_10796719	112.17	VFXSPTXRISHFHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001290
OCC1(CC(=C1)C)C	PC-id_23264405	112.17	CYRTZZAAGLXICV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001291
OCC1=C(CC1C)C	PC-id_60107903	112.17	OPJFBOFCBOVSEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001292
OCC1C(C=C1)CC	PC-id_85389339	112.17	XNNIXTQRYAEANN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001293
O(CCC1=CCC1)C	PC-id_15706981	112.17	ZBWGZXYOBUCRJS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001294
OC[C@@H]1[C@@H](C=C1)CC	PC-id_11073375	112.17	XNNIXTQRYAEANN-RNFRBKRXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001295
CC1C(C)C(=C1N)N	SCHEMBL18120037,PC-id_122594536	112.173	LDIRLMXHLAEJPE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001296
CC(N1CC(=C1)N)C	SCHEMBL19003600	112.173	FFZQBGCYFFVOID-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001297
CNC1CC(=N1)CC	SCHEMBL12715230,PC-id_58219827	112.173	HKRLLOSBETZERT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001298
NCC1C(C=C1)CN	PC-id_73102352	112.173	NQXGYRGMCBAUPN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001299
NCC1C=CC1NC	SCHEMBL18934554	112.173	LAXPEYASPOKSDI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001300
NC[C@H]1[C@H](C=C1)CN	PC-id_11789167	112.173	NQXGYRGMCBAUPN-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001301
C1CC(=C1)C=CS	PC-id_88972845	112.193	IKNOBGPQSJRKMF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001302
CC1=C(C(=S)C1)C	SCHEMBL12629372,PC-id_22944774	112.193	FKPMTFRDORTJHK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001303
CSC1=C=C(C1)C	SCHEMBL18822591	112.193	OUIJBXDUWQKLSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001304
[N+]1(=CCC1)C(C)(C)C	PC-id_12348598	112.193	IOQBJDQQRBNTIA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001305
[N+]1(=CC(C1(C)C)C)C	PC-id_53812846	112.193	LZDANTHABMIKCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001306
S/C=C/C1=CCC1	SCHEMBL12869926	112.193	IKNOBGPQSJRKMF-SNAWJCMRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001307
[Si]1(CC(=C1)C)(C)C	PC-id_12842276	112.245	XVRJUZTVXLWZGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001308
ClC1=CN=C1C#N	PC-id_70550028,SCHEMBL11267994	112.517	KUDSFEJJCOHZDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001309
ClC1=C(CC1)C#C	PC-id_86124485	112.557	QOJXUXIBYLTVPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001310
C1=CP=C1C(=O)N	PC-id_154052625	113.003	LVWUCZZIQMLSSW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001311
C1CC(=C1)C(=O)[S-]	PC-id_154064942	113.007	AOUFHACFJLOEBO-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001312
C=NSC1CC=C1	PC-id_163805007	113.03	NIGWHILRFJCDCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001313
C1C=CC1(C(=O)O)N	PC-id_154093872	113.048	ZNDOZJSUYJAPPN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001314
C1C(C(=N1)C=O)CO	PC-id_153912785	113.048	NEMAQTKQQWDREA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001315
CC1=C(C(C1=O)O)N	PC-id_147319134	113.048	CZLOBGYJOVEPFC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001316
COC(=C1C=CN1)O	PC-id_153944755	113.048	MPFZXEUFEQZDAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001317
[O-]C1=C(O)C(=O)C1=O	PC-id_5259869,CHEBI:59711	113.048	PWEBUXCTKOWPCW-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-001318
C1(=C(C(=O)C1=O)O)N	PC-id_15272669,MCULE-8486046042,EMOLS-id_95494421,SCHEMBL1208018	113.072	DXFAKICEAMVVTD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001319
NC(=O)C1=COC1=O	PC-id_67933392,SCHEMBL9812550	113.072	HSVDVTAUQDWNGC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001320
O=C1C(=CC1=O)NO	PC-id_86018981	113.072	SOTBIZVMPRVASQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001321
CCNC1C=CC1O	PC-id_163785812	113.084	MSKJSMFQDLFBMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001322
CC[NH+](C1CC=C1)[O-]	PC-id_163881778	113.084	PTVRENVYBOTLDH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001323
CC(N)OC1=CCC1	PC-id_163759074	113.084	LWPKFLPREKOQEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001324
CCON1CC(=C1)C	PC-id_163610613	113.084	HFOVHCACCBVSER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001325
NC1=C(O)C(=[NH2+])C1=O	PC-id_53690157	113.095	ZLNSMWNQGKMEHD-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-001326
OC1=C(N)C(=[NH2+])C1=O	PC-id_71775773	113.095	WJBQZNNOLNYTBH-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-001327
C1=CP=C1CCN	PC-id_88729026,SCHEMBL11131097	113.097	PIPSJEAQBMVNDU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001328
C1=CN(C1=O)CCO	PC-id_89363413,SCHEMBL14540364	113.115	SMJMLQWZGWCQJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001329
CC1=C(N(C1=O)C)O	PC-id_89378237,SCHEMBL14609765	113.115	FIVUDRRQIJGLTP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001330
CC1=NCC1C(=O)O	SCHEMBL19030939	113.115	JOUYHHQYSXWHSM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001331
CC(=O)NC1=CCO1	PC-id_91229926	113.115	NHRCHWRGNVGMBB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001332
CC(=O)OC1NC=C1	PC-id_139772813	113.115	AGRPBZJRKVODTR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001333
CN1CC=C1C(=O)O	SCHEMBL16774650,PC-id_118123697	113.115	UXULXIOMZRAAGU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001334
CN1C=CC1C(=O)O	SCHEMBL16774652,PC-id_118123699	113.115	YXMAYWIAVZBION-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001335
COC(=O)C1CN=C1	SCHEMBL19030941	113.115	JVYSXBZXWDGAJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001336
NC1=C(CC1)C(=O)O	SCHEMBL16087240	113.115	FXXSULVDMSQFHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001337
OC1=C(C(=O)C1C)N	SCHEMBL18942041	113.115	QKTOZKCUUSRJCM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001338
OCC1=CN=C1CO	SCHEMBL3265149,PC-id_68573551	113.115	WSLNJLQWTYNBQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001339
O(C(=O)N1CC=C1)C	PC-id_12401612	113.115	UCLKWFQNBJGSQX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001340
[O-][N+](=O)CC1=CCC1	PC-id_13430599	113.115	NIASXVAQGFFCTD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001341
O=C=NC1SC=C1	PC-id_139632143	113.138	MZTMAMAHOKIJJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001342
CC1C=C(O1)CNC	PC-id_91602098	113.158	WKSBRSXHBZTTGX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001343
CCCOC1=NCC1	PC-id_70023745,SCHEMBL7215324	113.158	ORXHOOOGTFPVBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001344
CC(N1CC=C1)CO	PC-id_142659685	113.158	KPQVWISEOQUFTF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001345
CC(NC1=CCC1)O	PC-id_141891455	113.158	CGWKCKZRAXPATG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001346
CCOCN1CC=C1	SCHEMBL10371463,PC-id_23545571	113.158	SNFVBOFTJVZZQE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001347
CN1C(C)C(=C1C)O	SCHEMBL5986747,PC-id_69627082	113.158	DXPZASRIIAADLW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001348
COC1=NC(C1)(C)C	SCHEMBL6075235,PC-id_12210447	113.158	GFKYFQHFABKLFY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001349
COCC1(CC=C1)N	SCHEMBL20495055,PC-id_135324651	113.158	CLPLJJXQYAAHHB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001350
O(C1=NC(C1C)C)C	PC-id_544914	113.158	XUKRFDXCZBFEEZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001351
OCCCN1CC=C1	PC-id_141705915	113.158	JUFFTRICMZOGKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001352
CC1=C(C(C1N)N)N	PC-id_89327995	113.161	HFDFWOCKDXJBJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001353
CC1=C(C([C@H]1N)N)N	SCHEMBL14401564	113.161	HFDFWOCKDXJBJU-WWLRPLJCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001354
S1C(C(=[C-]1)CC)C	PC-id_16133306	113.201	JFYABTQLQZWYND-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001355
CCC1=C(N=[C-]1)Cl	PC-id_154477619	114.012	QKKRDCTXWJXLEI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001356
P=C1C=CC1=P	PC-id_102350154	114.022	JZYNNXVCBGLPMY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001357
B(O)(O)OC1=CCC1	PC-id_149607410	114.049	AAJGQWLTLWOKSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001358
C1(=C(C(=O)C1=O)O)O	STOCK6S-91716,PC-id_17913,LI_216778,NSC624671,MCULE-1517845681,ZINC22_1714721,CoCoCo_3705256,NSC125692,HMDB0258453,SCHEMBL56172,TIMTEC391259,CHEBI:52141,EMOLS-id_479664	114.056	PWEBUXCTKOWPCW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001359
O1C(=O)C(=C1)C(=O)O	SCHEMBL10955588,PC-id_70479941	114.056	DWTGHNOCXLDINN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001360
OC1=C(C(=O)C1[O-])[O-]	PC-id_101348655	114.056	UHYLCCXSEPZTQA-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001361
CC1C=CC1(CO)O	PC-id_165179160	114.068	IJCSSZBFOORLTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001362
C1(=C(C(=O)C1=O)O)[NH3+]	PC-id_136722405	114.079	DXFAKICEAMVVTD-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-001363
C(C1C(C(=N1)N)N)N	PC-id_164063948	114.091	WJIAORRCSFDOBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001364
C1C(C=C1C(=O)O)O	PC-id_91208051	114.099	DYLKAOJCKZKGEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001365
CC1C(=C(C1=O)O)O	PC-id_118424958,SCHEMBL17149307	114.099	DHHWYHPWJUYJPX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001366
CC1C=C(O1)C(=O)O	PC-id_91168745	114.099	LRUMMBLEMQJXEZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001367
CC1=C(CO1)C(=O)O	PC-id_91595832	114.099	YIMNUNRTKXOXCF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001368
COC1=CC(=O)C1O	PC-id_89743246	114.099	WNKFZBMTEBREJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001369
COC1=C(C(=O)C1)O	SCHEMBL12546098,PC-id_88933226	114.099	JPOXOGBCXWVVPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001370
COC1=CC(=O)[C@@H]1O	SCHEMBL15178497	114.099	WNKFZBMTEBREJQ-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001371
COC(=O)C1=COC1	SCHEMBL11596428,PC-id_54491728	114.099	XWEYIURPPUXSGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001372
O1C(=CC1=O)CCO	PC-id_20069322,SCHEMBL3459512	114.099	POCDSLZFFPEMCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001373
OC1CC=C1C(=O)O	PC-id_102012975	114.099	FCLGVOHELXRQSW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001374
OC1C(C=C1)C(=O)O	PC-id_55302145	114.099	JOSOTMCMFQYKNG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001375
OC1=C(CC1)C(=O)O	SCHEMBL8781919,PC-id_56604105	114.099	OKGTUJPKIQBSKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001376
OC(=O)OC1=CCC1	SCHEMBL7162669	114.099	UVDORNFEGOLBSJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001377
O(O)C(=O)C1=CCC1	PC-id_57120679,SCHEMBL8183007	114.099	PNTOQRZKUVXYPQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001378
C[N+](C1CC=C1)(N)N	PC-id_163697898	114.103	PFWNNXAFFPJYGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001379
OC1C(=C(C1=O)N)N	SCHEMBL19240445	114.103	GJCKNBMSQKFXMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001380
SC1=CC(=O)C1=O	PC-id_144700387	114.122	MKWVBOSWKAPVHK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001381
S=CC1=COC1=O	PC-id_15908817	114.122	LAKSCDDYOPLCEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001382
C1CC(=C1)CCP	SCHEMBL12229157,PC-id_88894490	114.125	IWHLRSGCIMUXIE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001383
CC1CC(=C1P)C	PC-id_91136130	114.125	LUJCUCSADNPOEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001384
CC1=C(C(C1)(C)O)O	PC-id_89174193,SCHEMBL13806344	114.142	NAMZLODUVYTTOE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001385
CC1(CC(=C1O)O)C	PC-id_87998035,SCHEMBL6473109	114.142	ZYOGXDWJXIXZMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001386
CC1C(=CC1(O)O)C	SCHEMBL7525698	114.142	KXZDEEBAJWYGJP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001387
CC1=C(C(O1)(C)C)O	SCHEMBL14609925,PC-id_89378314	114.142	WJPTWGKJGSHFNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001388
CCC(C1=COC1)O	PC-id_141583559	114.142	AGXXBMGWDLCVGP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001389
COC1=C(CC1)OC	SCHEMBL1441207,PC-id_87243871	114.142	QURDEAGIDDGZDC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001390
O1C(C(=C1)CC)CO	SCHEMBL3501010,PC-id_68667719	114.142	HWRUNWWOMDGKEO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001391
OC1C(C(=C1C)O)C	PC-id_22957357	114.142	VVVAIFREXOYZOQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001392
OC1C(O)C=C1CC	PC-id_85649409	114.142	YGOIQQWGCHLWSJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001393
OC1C(O)C(=C1C)C	PC-id_85649414	114.142	BXLKSWJTLSGZPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001394
O(C1C(OC)C=C1)C	PC-id_13395690	114.142	CWRDSXDCNJZDLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001395
OCC1C(C=C1)CO	PC-id_12649478,SCHEMBL16218397	114.142	BOVHNKYZNZACNY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001396
OCC1(CC=C1)CO	SCHEMBL11770872,PC-id_21505187	114.142	VQTZWTWTOFLMCE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001397
OCC1=C(CC1)CO	SCHEMBL9007698,PC-id_12579008	114.142	WBMNNKFQRUVBKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001398
OC[C@H]1[C@H](C=C1)CO	PC-id_10887867	114.142	BOVHNKYZNZACNY-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001399
OC[C@@H]1[C@H](C=C1)CO	PC-id_11126216	114.142	BOVHNKYZNZACNY-PHDIDXHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001400
O([C@H]1[C@@H](OC)C=C1)C	PC-id_13395691	114.142	CWRDSXDCNJZDLZ-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001401
C1=CC23C41C=CC24C=C3	PC-id_101361648	114.144	WKSAZSIDGLPLBF-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-001402
NCCNC1OC=C1	PC-id_140166684	114.146	KCICJQYPLSYIRM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001403
C1CC(=C1)C(=O)S	SCHEMBL1479063,PC-id_87248869	114.166	AOUFHACFJLOEBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001404
OC(=O)[Si]1=CCC1	PC-id_139612135	114.175	SMSDKMHVCFCUOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001405
CSCC1=CCC1	SCHEMBL1146022,PC-id_87205350	114.209	RTLZPNZRFQRQSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001406
S1C(C(=C1)CC)C	PC-id_425347	114.209	XRCTVNWOVIAHLE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001407
[SiH3]C1([SiH3])CC=C1	PC-id_101453023	114.293	XYVPLZKUHSZSLJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001408
ClC(=O)C1=CC=C1	PC-id_59389126,SCHEMBL13001655	114.53	NCYVRQVVGKLMAB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001409
C=C1C=CC1(C)Cl	PC-id_119098668	114.573	LIBILZLFBFTCMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001410
C/C=C
/CC=C1Cl	PC-id_118473941	114.573	MOXRHEVPIXDTRK-DJWKRKHSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001411
CC=C1CC=C1Cl	SCHEMBL17207729	114.573	MOXRHEVPIXDTRK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001412
ClC1=C(CC1=C)C	PC-id_20600468	114.573	OUOQRUVXGOBMPZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001413
C1[GeH2]C=C1	PC-id_101909860	114.72	ZCKXOXNTGMTUFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001414
[GeH]1=CCC1	PC-id_86069018	114.72	YRLRQILPBVAWME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001415
[AsH]1=CC=C1	PC-id_57417276	114.985	YJTYYTVHILZPOX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001416
[B]C=C1C(=C(C1=O)[B])[O-]	PC-id_160674322	115.017	KKOHZAMBKSHFPM-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001417
CCC1=CN=C1Cl	PC-id_154477620	115.019	AQUHAAFMUZPJMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001418
[2H]OC1=C(O)C(=O)C1=O	PC-id_139036715	115.062	PWEBUXCTKOWPCW-DYCDLGHISA-N	00000100000000000000000000000000000000000000000000000000	06-01-001419
FC1=CN=C1C(=O)O	PC-id_56636170	115.063	DOQMHBCVDJVPIN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001420
CC1(C(=C(O1)N)N)N	PC-id_164062848	115.075	WILPWKRSABABGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001421
OC1=C(NC1)C(=O)O	PC-id_141626551	115.087	YRKHFQJQTPNIIS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001422
OC1=C([N+](=O)[O-])CC1	PC-id_86045676	115.087	RKOVJMDODIRURO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001423
CNC1=C(C(C1)O)O	PC-id_89088811	115.13	HXIUQMSYWPJRFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001424
CNC1=C([C@H](C1)O)O	SCHEMBL13451632	115.13	HXIUQMSYWPJRFO-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001425
S(=O)([O-])C1=CC=C1	PC-id_70633024	115.13	CODUYKSSQHDEEK-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001426
C1=C(C(=C1O)S)N	SCHEMBL16070732,PC-id_90436155	115.154	RRTMYDHUNIZDKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001427
C1C=CN1CCS	PC-id_87842614,SCHEMBL5487936	115.197	XQRBGSJUGMYGHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001428
CC1(NC)SC=C1	SCHEMBL20825066,PC-id_138478261	115.197	YLTIQFPQOIULGL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001429
CCSC1=NCC1	SCHEMBL9214524,PC-id_19911804	115.197	AQYBWXXBGRBTET-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001430
C[C@H]1CN=C1O[SiH3]	PC-id_102325282	115.206	RNRAZKJMTFVDIO-VKHMYHEASA-N	00001100000000000000000000000000000000000000000000000000	06-01-001431
C[C@@H]1CN=C1O[SiH3]	PC-id_102325284	115.206	RNRAZKJMTFVDIO-GSVOUGTGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001432
C1=C(C(=N1)C=O)Cl	SCHEMBL7931597,PC-id_88223480	115.518	OHYSTEYWGWHMNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001433
ClC1=CC(=N1)CC	PC-id_70522004	115.561	XFHQMCONXBYNMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001434
CC1=CC([C+]1C)Cl	PC-id_85872382	115.581	SMWGMYHJZBZSRU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001435
C1C[As]=C1	PC-id_154337429	115.961	XURMOESDJDMPJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001436
C1=CC=[AsH2]1	PC-id_102305041	115.993	FPEBSWOKQPUNPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001437
[B]C=C1C(=C(C1=O)[B])O	PC-id_89910012,PC-id_160674323	116.024	KKOHZAMBKSHFPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001438
C1C=CC1=PP	PC-id_87176138,SCHEMBL918149	116.038	GLOGQDUHFVZAMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001439
C1(=C(C(=O)C1=O)F)O	PC-id_85872002,SCHEMBL14137766	116.047	ZEVMDDDPKQIHLR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001440
C1=NC(=C1[N+](=O)[O-])F	PC-id_89571315,SCHEMBL14953642	116.051	SVXKJMBNTCFVRA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001441
POC1=CC(=O)C1	PC-id_59486149	116.055	JIZVCHUBABAPGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001442
O(C1=C(O[2H])C(=O)C1=O)[2H]	PC-id_16212659	116.069	PWEBUXCTKOWPCW-ZSJDYOACSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001443
C1(C(=C(C1=O)O)O)O	SCHEMBL14937434,PC-id_89558273	116.072	OYNMOWSQNNPABX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001444
OC1=C(O)C(=C1O)O	PC-id_4961406,SCHEMBL18027480	116.072	UNVVRPRANJSPJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001445
O[C@H]1C(=C(C1=O)O)O	SCHEMBL19049727	116.072	OYNMOWSQNNPABX-SFOWXEAESA-N	00001100000000000000000000000000000000000000000000000000	06-01-001446
FC1(F)C(=CC1=C)C	PC-id_58878853	116.109	DFSNPSFUVNEYNI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001447
OC1C(=C(C1O)N)N	PC-id_101157205	116.119	WUDDMEAPCRYLHK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001448
C1CC=C1P=S	SCHEMBL17453317,PC-id_118674066	116.121	OXLVMXDCRCMCKZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001449
NC1(CCF)CN=C1	SCHEMBL19158222	116.137	KXZWORFYTFHSDK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001450
OC(=O)C1=CCS1	PC-id_19026857,SCHEMBL9191979	116.138	GRWWQDPVXCSRDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001451
S(=O)(O)C1=CC=C1	PC-id_70633025	116.138	CODUYKSSQHDEEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001452
P1(=C(CC1)C)(C)C	PC-id_22951885	116.141	GKGSOLDONJRNHL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001453
CC1(CC=C1O)S	PC-id_89110309,SCHEMBL13538140	116.181	JFRVHWVGBCHMDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001454
S1(=C(C(=O)C1)C)C	PC-id_20643383	116.181	DOBXYJAUHKCAOS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001455
N[C@H]1CN=C1O[SiH3]	PC-id_102325289	116.194	VSQPTEQVRNUISP-REOHCLBHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001456
N[C@@H]1CN=C1O[SiH3]	PC-id_102325290	116.194	VSQPTEQVRNUISP-UWTATZPHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001457
S=CC1SC=C1	PC-id_101947473	116.205	SXIZPADXZZVUKL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001458
ClC1=CC(=O)C1=O	SCHEMBL7657752,EMOLS-id_45819971,PC-id_10909547	116.503	DNJNUCYAVRRVMW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001459
C1CC(=C1)C(=O)Cl	SCHEMBL2404760,PC-id_86657197	116.546	NXWYWRDNSHMJGL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001460
ClC1=C(CC1)C=O	PC-id_119096449	116.546	LXUMGICEIYXURI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001461
ClC1C(=CC1=O)C	PC-id_11274990	116.546	DSSPDPBUBJQKRT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001462
CC1=CC(C1)(C)Cl	PC-id_119097850	116.589	QYWIBCSDLKHTEV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001463
CC1=C(CC1Cl)C	PC-id_119098026	116.589	CVHKAPUXPWOVER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001464
CC1C(Cl)C=C1C	PC-id_119097699	116.589	YAQSNJIJMGJTJJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001465
ClC1=CCC1(C)C	PC-id_15367140	116.589	AQRRBVODFGHSJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001466
ClC1=CC(C1)(C)C	PC-id_86172855	116.589	PGVCVNDQVBRDBP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001467
NC(C1=CCC1F)O	PC-id_139404511	117.122	KLGOHEUWIFJWFC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001468
NC(C1=CC[C@H]1F)O	SCHEMBL21261406	117.122	KLGOHEUWIFJWFC-CNZKWPKMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001469
[O-]S(=O)C1CC=C1	PC-id_118658243	117.146	ZIEDIDFPQZQOPA-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001470
S(=O)([O-])C1=CCC1	PC-id_57440961	117.146	JDADFFDRAAYRQD-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001471
O[C@H]1CN=C1O[SiH3]	PC-id_102325287	117.179	MVZYEKWUMXGTLR-REOHCLBHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001472
O[C@@H]1CN=C1O[SiH3]	PC-id_102325288	117.179	MVZYEKWUMXGTLR-UWTATZPHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001473
C1C=C(C1CN)Cl	SCHEMBL14997349,PC-id_89604148	117.577	TWLSIINPRCKWNR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001474
CC1C=C(N1C)Cl	PC-id_90855870	117.577	BRFCFBAHYBJJLF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001475
C1=CC=[Se+]1	PC-id_102305037	118.016	UOIAXYRZOGGZRS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001476
C1CC(=C1)OCCl	PC-id_153780786	118.019	YQTMZKOAMGAFTG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001477
C1(=C(C(=O)C1=O)F)F	PC-id_89256597,SCHEMBL14137765	118.038	GJMKKSBJEBELFL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001478
FC1=C(F)C(=C1N)N	PC-id_55291379	118.085	OGRQYDRBLQRNDX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001479
FC1=C(N)C(=C1N)F	PC-id_55291380	118.085	FSDBBUMQVXHXKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001480
C1=C(C(C1O)(O)O)O	SCHEMBL10704030,PC-id_88653851	118.088	KALCNJCIFPTHNK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001481
OC1=C(C(C1)(O)O)O	PC-id_140283881	118.088	SFYMDKIPFIJLNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001482
OC1C(O)C(=C1O)O	SCHEMBL10704021,PC-id_58225667	118.088	RCQQFBANNFHAPS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001483
O(C1CC#C1)C1CC#C1	PC-id_141281680	118.133	BNVCPOQCZXDOCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001484
S(=O)([O-])C1=NCC1	PC-id_57184221	118.134	YLNVIOMHKPFNGS-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001485
CC1(CP=C1)S	PC-id_87413793	118.137	PWQJSCLMDSLLMG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001486
C[C@]1(S)CP=C1	SCHEMBL2618739	118.137	PWQJSCLMDSLLMG-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001487
C1S(=O)(=O)C(=C1)C	PC-id_90487021,MCULE-7820835063,ZINC22_45069573	118.154	NQDUMXUQEOALCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001488
C[C@@H]1C=CS1(=O)=O	PC-id_94036953,ZINC22_45069828	118.154	YIUXRPYMYDPFAS-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001489
C[C@H]1C=CS1(=O)=O	PC-id_94036954,ZINC22_45069831	118.154	YIUXRPYMYDPFAS-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001490
OS(=O)C1CC=C1	PC-id_118658244	118.154	ZIEDIDFPQZQOPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001491
O=S(=O)C1CC=C1	SCHEMBL17434020	118.154	QAODODCKMUZVIU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001492
S(=O)(O)C1=CCC1	PC-id_57184339	118.154	JDADFFDRAAYRQD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001493
C1CC(=C1)SS	PC-id_87770319,SCHEMBL5052487	118.22	KHPDOCVZAXHHLV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001494
SC1=C(CC1)S	PC-id_141255192	118.22	HYWUIYWQFNNUNS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001495
ClC(=O)C1=COC1	PC-id_54258672,SCHEMBL9359989	118.518	RBXIWFGRCKMKKT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001496
ClC1C(OC)C=C1	PC-id_13395692	118.561	KRNGCMIGFJWSNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001497
CC1C(Cl)C(=N1)N	PC-id_100965852	118.565	VXIUGPUQXSAFQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001498
NC1=C(/C(=N/[B])/C1=N)C	PC-id_58969698	118.932	ZZTYUTRYDKURAU-IHCMPBIASA-N	00000100000000000000000000000000000000000000000000000000	06-01-001499
NC1=C(C(=N[B])C1=N)C	PC-id_72477387	118.932	ZZTYUTRYDKURAU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001500
C1C(=CS1(=O)=O)N	PC-id_154099608	119.004	ARMIQXRARNWDLL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001501
C1=CS(=O)(=O)C1N	PC-id_153773190	119.004	RKNFZGJMGBXOOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001502
C=C/C=CNC1=CC=C1	PC-id_163886132	119.073	PXLKMCKZIVMRAH-CLTKARDFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001503
S(=O)(O)C1=NCC1	PC-id_57184222	119.142	YLNVIOMHKPFNGS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001504
[Si](F)(F)C1CC=C1	PC-id_85832394	119.165	SYJDSPKVPCNFLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001505
F[C@H]1CN=C1O[SiH3]	PC-id_102325285	119.17	MAVYQKSCIOXZKE-REOHCLBHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001506
F[C@@H]1CN=C1O[SiH3]	PC-id_102325286	119.17	MAVYQKSCIOXZKE-UWTATZPHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001507
B/C=C
/C(=C(C1=O)B)O	SCHEMBL15395217	119.722	RNIKXLUWEFKVLG-UPHRSURJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001508
CC1=BC(=C1)C(C)(C)C	PC-id_143970092	120	ZGAVQKILVUVOLX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001509
CC(C)C1=C(N=C1)C#N	PC-id_162345811	120.069	GUZDJGXKMBAARV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001510
C1C#CC1C(F)(F)F	SCHEMBL15327735,PC-id_89857865	120.073	KZGIVJVSUUNCON-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001511
FC1=CC(=C)C1(F)F	PC-id_140968054	120.073	HLPJBAUQDCRUGL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001512
FC(C1=CC=C1)(F)F	SCHEMBL10874064,PC-id_70462297	120.073	KYZOYMAGQWFBCU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001513
COC1=CCC1(F)F	SCHEMBL19625954	120.097	QCASBPWNEQDEHM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001514
FC1=C(F)OC1(C)C	PC-id_86259133	120.097	PAAAAGLQAVHBEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001515
FC1(F)OC(=C1C)C	PC-id_86259134	120.097	HTMIVGJRVWFUDL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001516
O=C1C(=C(C1=O)[CH])C[CH]	PC-id_58812791	120.105	BZOOLPAHXUMKCE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001517
C1C(=CO1)S(=O)O	PC-id_90772658	120.127	IOKMWGOIASIUTQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001518
O=C(C1=CC=C1)C(=C)C	PC-id_144355742	120.149	MCEULRDUUFRVIT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001519
C1(C(=C)C(=C1)CC=C)C	PC-id_10964473	120.192	MDTWLVVVLSUWSU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001520
C1(=C(C(=C)C1=C)C)CC	PC-id_14291123	120.192	XTSTZKZZUMSWRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001521
CC1=C(CC1)C=CC=C	PC-id_91593152	120.192	QJKMVDNWKCPPEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001522
CC1=CC(=C(C)C)C1=C	PC-id_91032245	120.192	NKYUUWUZZVENEI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001523
CC=C1C(=C(C1=C)C)C	PC-id_90805045	120.192	IMOXHABWHKZTNO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001524
CCCC1=CC(=C)C1=C	PC-id_134993663	120.192	PQOKDMPHJGNNSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001525
BNC1=C(C)C(=N)C1=N	SCHEMBL760719	120.948	JHCHUNURGVCRQF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001526
CC1=C(C(=N)C1=O)C=C	PC-id_163667496	121.053	IZTCTLMNZAOCGI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001527
CCC1=CC=C1N=C=O	PC-id_163666530	121.053	IYYOWJTVQZAIIN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001528
C1CC1/C(=C/1CC=C1)/N	PC-id_163913803	121.089	QUMHNIXYZPYVPB-SOFGYWHQSA-N	00101100000000000000000000000000000000000000000000000000	06-01-001529
C1C=CC12CC23CC3N	PC-id_163694971	121.089	JWEJWRFXODWMKW-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-001530
CC1C=C(C1(C)C)C#N	PC-id_154312118	121.089	YFWBGLLHUKTWOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001531
CCC1=C=C(C1)CN=C	PC-id_149580789	121.089	ZVZPEQGOQCIWOD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001532
C/C(=C
/CC=C1)/C(=N)C	PC-id_163839208	121.089	OKKMIRPHMQVSHG-VFUVOHNVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001533
CCCC1CC(=C1)C#N	PC-id_153756849	121.089	YFLFOBYWYZBQFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001534
C1CC(=C1)CC1=NCC1	SCHEMBL12252126,PC-id_88896373	121.18	SIMXZPIHEHYLOB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001535
C1CC(=C1)NC1=CCC1	PC-id_88536996,SCHEMBL9934647	121.18	WXPINCHNBIXDMI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001536
CCC1=C(N)C(=C)C1=C	PC-id_143344726	121.18	COVDKLMQXOVKMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001537
CC/C(=CC)/C1=NC=C1	PC-id_145691406	121.18	JCZLEIOKECOMAD-XVNBXDOJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001538
O(C1=C(C(=O)C1=O)C)[B]	PC-id_58969713	121.887	SKQWKFVLPKVTKY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001539
ClC1=CN=C1Cl	SCHEMBL7932155,PC-id_70231787	121.953	PACGUDRRGVXOLB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001540
CC1=C(C(=O)C1=O)[N+]#C	PC-id_163587309	122.024	GVFCWMWSRMIXBR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001541
C1CC1C(=O)N2[CH-]C=C2	PC-id_153933110	122.061	UHSVIAWLMGGKGW-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-001542
CCC=CC1=CCC1=O	PC-id_154154872	122.073	YXXMERYZKNZGRK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001543
N#CC1=C(N)C(=O)C1=O	PC-id_142659151	122.082	MMDGFSKABFRERS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001544
C=CC(=C)NN1CC=C1	PC-id_155129569	122.084	QILCGABXPRJEDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001545
[N-]=[N+]=NC(=O)C1=NC=C1	PC-id_140887033	122.085	VVJAIIFRGVWEII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001546
FC1=C(C)CC1(F)F	PC-id_58184230,SCHEMBL821347	122.088	NFNAWNJOFQDNFV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001547
FC(C1CC=C1)(F)F	PC-id_71340211,SCHEMBL16162898	122.088	HZNKQWVKCVCPKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001548
FC(C1=CCC1)(F)F	SCHEMBL6410670	122.088	WZUCGLPCITYMBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001549
FC([C@H]1CC=C1)(F)F	PC-id_100918456	122.088	HZNKQWVKCVCPKU-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001550
CC1=C(N=[C-]1)C(C)(C)C	PC-id_153836435	122.098	QWYWLQRIYHDPOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001551
CCC(C)(C)C1=C=CC1	PC-id_153543084	122.11	NKNBUPRWJPBUBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001552
CCCCCC1=CC=C1	PC-id_154154656	122.11	VYOCBLAYHJLFFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001553
C=CCCCC1=CCC1	PC-id_164036692	122.11	VMQMAVSLRPZLSU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001554
CC1=C(C(=O)C1=C=O)C	PC-id_134874692	122.121	QOWZAJIZXICELV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001555
C=CC1=C(C)C(=O)C1=O	SCHEMBL19165608	122.121	MBRLYVQLAVXNPF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001556
C=CC1=C(O)C(=O)C1=C	PC-id_58489252,SCHEMBL12156968	122.121	JYWLZXRLOFWMNG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001557
O=C1C(=CC)C(=C)C1=O	PC-id_59889853	122.121	FVGOAWBINHKZSZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001558
C1CC(=C1)C(=O)C=[N+]=[N-]	PC-id_137297975	122.125	ZEKSDMLOLHJFAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001559
C=CNC(=O)C1=NC=C1	PC-id_139628977	122.125	IMXGIZAOOABVKM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001560
O=C(N)C1=C(CC1)C#N	PC-id_21720614	122.125	MKNBRJNOZRZQOM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001561
C1CC(=C1)OC1=CCC1	SCHEMBL5354842,PC-id_87824130	122.164	FWRALSAQPOLUDE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001562
CC1=C(C(=C1C)C=O)C	SCHEMBL14000597,PC-id_89222281	122.164	HASDRQDVGVYQRG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001563
CC(C1=CC(=C)C1=O)C	PC-id_58222528,SCHEMBL6888742	122.164	QCVVVYHHXKIFIK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001564
CC(C1=CC(=O)C1=C)C	PC-id_143280096	122.164	DPZSNDGDRIGTKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001565
CC=C(C1C=CC1=C)O	PC-id_89152265	122.164	MZVGWJADKQCSGM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001566
C/C=C(/[C@@H]1C=CC1=C)O	SCHEMBL13708310	122.164	MZVGWJADKQCSGM-KVNNJZLQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001567
C=CCC(=O)C1=CCC1	PC-id_88724632,SCHEMBL11112880	122.164	OLVGLHDPVSMAOA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001568
CC(=O)/C=C/C1=CCC1	PC-id_101093450	122.164	RZNMHZBPUIAQTO-AATRIKPKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001569
O1CC(C1)CC1CC#C1	PC-id_140350727	122.164	NTDUJSDDJVIJCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001570
O=C1C(C=C1C=C)(C)C	PC-id_12840239	122.164	JYZXEGMGWPAWOI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001571
OCC#CC1=C(CC1)C	PC-id_21635145	122.164	DXMVWRMTICIXER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001572
C1CC(=N1)CC1=NCC1	PC-id_58028586,SCHEMBL879143	122.168	VZIZYCNKNQSVAV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001573
CCCC1=C(N=C1)N=C	SCHEMBL19292245	122.168	BCMYGJJRJRQVJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001574
N(C1=C(CC1)C#N)(C)C	PC-id_85701952	122.168	AVANXXBLAFKVGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001575
NC(=N)[C@]1(CC=C1)C=C	SCHEMBL17413401,PC-id_118641947	122.168	BKLYMBBFNXTERL-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001576
C1(CC(=C1)CC)C(=C)C	PC-id_13949251	122.207	JVLPERYUCGBCNU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001577
C1(CC(=C1)C)C(=C)CC	PC-id_13949256	122.207	YGNPABZUNLHQFK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001578
C1(C(=C(C1=C)C)CC)C	PC-id_60022333	122.207	XJGYXDQIMHJCOJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001579
CC=C1C=C(C1(C)C)C	PC-id_90855975	122.207	CTONUHHZBAVCOI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001580
CCC1=CC(=C1C)CC	PC-id_90910706	122.207	YQMKLXZMZKWJCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001581
CCC1CC=C1C(=C)C	PC-id_91153962	122.207	KBWAHAOLTYNZPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001582
CCC1=C(C)C(=C1C)C	PC-id_144523766	122.207	PIAKGKPYFUKIJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001583
CC/C=C
/CC(=C1)CC	PC-id_143682523	122.207	BFBHLCOQOPAQGM-WEVVVXLNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001584
C/C=CC1=C(C(C1)C)C	PC-id_143715933	122.207	NNJXADWATVXRAB-PLNGDYQASA-N	00001100000000000000000000000000000000000000000000000000	06-01-001585
C(CCC)C1=CC(=C1)C	PC-id_11832205	122.207	ZWCYQWFUOHKYEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001586
CCCCC1=C(C=C1)C	PC-id_143721346	122.207	CGLOJOQFMPGOQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001587
CC(C=C)CC1CC=C1	PC-id_141959496	122.207	LNIGGTYHPGRLIK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001588
CCC(=CC)C1=CCC1	PC-id_91081023	122.207	DEBKVKUKHVNOKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001589
CC(C)C(C)C1=CC=C1	PC-id_91441890	122.207	YHAORTOMTWGBRF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001590
CCC=CCC1=CCC1	PC-id_91509494	122.207	RURJVLUTBZNPFM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001591
C[C@@H]1CC=C1CCC=C	PC-id_140872621	122.207	YJRSVVKMNUXIIZ-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001592
[B]NC1=C(C(C1N)N)C	PC-id_89387059	122.964	JORFWNWTWYWGMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001593
ClC1=C(CC1)Cl	PC-id_19424479,SCHEMBL8726716	122.981	SCKHIBMTSKZHQF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001594
ClC1CC(=C1)Cl	PC-id_54150891	122.981	OHQUEPQTMPKUPS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001595
ClC1CC=C1Cl	PC-id_86037566	122.981	ZJXQPZCDDBFVGZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001596
ClC1C=CC1Cl	SCHEMBL6048993,PC-id_102906	122.981	MNOAQNJDZROAPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001597
ClC1(Cl)CC=C1	PC-id_71417493	122.981	UPIPLUWGOOYSNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001598
Cl[C@H]1C=C[C@@H]1Cl	PC-id_98100754	122.981	MNOAQNJDZROAPA-IMJSIDKUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001599
Cl[C@@H]1C=C[C@@H]1Cl	SCHEMBL6048989,PC-id_11378482	122.981	MNOAQNJDZROAPA-ZXZARUISSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001600
CC1=C(C(=O)C1=O)N=C	PC-id_164122146	123.032	YGMKBYTXOIPIOQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001601
[B]C1C(=C(C1=O)N)OC	PC-id_161916828	123.049	HFYMWABJNMUDKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001602
C1CC1C(=O)N2CC=C2	PC-id_153933111	123.068	VQJKNKNOWKKBLH-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-001603
C
C=C/C1=CCCN=O	PC-id_164124078	123.068	YIBMMXQPHHUIFL-FNORWQNLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001604
CC1CC(=C1OC)C#N	PC-id_154378108	123.068	JOTJTRLZINVSII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001605
CCC1=C(C(=N)C1=O)C	PC-id_146706340	123.068	QYOOOPDSJBIMGN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001606
CN(C)C(=N)C1=NC=C1	PC-id_164086357	123.08	XCDYTTCAWCOOJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001607
CCN(CC)C1=CN=[C-]1	PC-id_151236684	123.093	NPKQVEDFMOQYQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001608
CC1C=C[C@]1(C)C(=C)N	PC-id_163858927	123.105	PAUGHBWKWNWCBD-XDKWHASVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001609
CC1=CN=C1C(C)(C)C	PC-id_153836436	123.105	JGGFTCMNHUENSJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001610
CC(=C(C1=CCC1)N)C	PC-id_164164554	123.105	ZPXJKHQNHWOWMJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001611
CC/C=CC1=C(CN1)C	PC-id_163924126	123.105	RCZBJMDSGJEJAY-PLNGDYQASA-N	00001100000000000000000000000000000000000000000000000000	06-01-001612
CC/C(=CN1CC=C1)/C	PC-id_147943530	123.105	IMFKTYVTRSBJOK-FPLPWBNLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001613
CC(C=NC)C1=CCC1	PC-id_163739341	123.105	LGKCAEUTHAGTDF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001614
C1CC(=C1)OC(=O)C#N	PC-id_89585343	123.109	VRCRKWDKJJHHGZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001615
C=CC1=C(N)C(=O)C1=O	PC-id_142659140	123.109	BSILARFSSPHWIN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001616
N#CC1=C(CC1)C(=O)O	PC-id_55301574,EMOLS-id_96130543	123.109	RZPBSOZLUJAPRC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001617
OC(=O)C1=NC=C1C=C	PC-id_17944169	123.109	ZWNDGAGYYAMCJS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001618
[O-]C1=C(C(=O)/C/1=C/C)C	PC-id_20660071	123.129	MRRMJCCJXXFYQL-HWKANZROSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001619
CC(C1=CCC1)N=C=O	PC-id_89578868	123.152	AQRNLVRVHKVBJI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001620
CCC1=C(C)N=C1C=O	PC-id_142770198	123.152	IKWXELUWHGJHAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001621
C=C=CC[C@@H]1CC(=N1)O	PC-id_136783541	123.152	YPSBSYZJNPDTOX-ZCFIWIBFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001622
C/C=C/C(=O)N1CC=C1	PC-id_141312750	123.152	ZTLWYWVMPMESCG-DUXPYHPUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001623
C[C@@H](C1=CCC1)N=C=O	SCHEMBL14964145	123.152	AQRNLVRVHKVBJI-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-001624
CCNC(=O)C1CC#C1	SCHEMBL19434070	123.152	NSWMNYLFJDKXSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001625
CNC1=C(C)C(=O)C1=C	PC-id_145493092	123.152	MDLXVEJUPJSKFJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001626
CN=CC1C=CC1C=O	PC-id_122496437	123.152	YADGIOAVARPBQJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001627
C/N=C/C1C=CC1C=O	SCHEMBL18025658	123.152	YADGIOAVARPBQJ-XBXARRHUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001628
O=C(C1=CCC1)N1CC1	SCHEMBL8158841,PC-id_54362628	123.152	UNODPGKEBZOYBY-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-001629
O=CC1N=CC1=C(C)C	PC-id_142771382	123.152	YFRXQZWBFJWJGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001630
CCC1=C(N)C(=N)C1=N	SCHEMBL12432554,PC-id_59755503	123.156	KXUUVVRITWOWMB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001631
C1C=C/C/1=CSC#N	PC-id_101108353	123.176	LMUUYKBPLHKWFO-GQCTYLIASA-N	00001100000000000000000000000000000000000000000000000000	06-01-001632
S(/C=C/1CC=C1)C#N	PC-id_10749170	123.176	LMUUYKBPLHKWFO-XQRVVYSFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001633
S(C=C1CC=C1)C#N	PC-id_23241972	123.176	LMUUYKBPLHKWFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001634
CC1=C(CCC)NC1=C	SCHEMBL18597663	123.196	QXNBWIJDQHUALW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001635
CC(CCC1=NC=C1)C	PC-id_142775297	123.196	ANVWSKAJOKQRHP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001636
CC=C(C)C1=NCC1C	PC-id_91145943	123.196	PIAHMPRYFKDMGI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001637
CCC(=N)C1C=CC1C	SCHEMBL17921653,PC-id_121480638	123.196	QPZXONLCXAYDLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001638
CC=NC1=C(CC1C)C	PC-id_89263311	123.196	LTQASYNJYGOKGT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001639
C/C=NC1=C(CC1C)C	SCHEMBL14154806	123.196	LTQASYNJYGOKGT-WTKPLQERSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001640
N1=C(C(C)(C)C)C=C1C	PC-id_85904146	123.196	GQFVESWNQZTKGH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001641
N(C1=C(CC1=C)C)(C)C	PC-id_20600499	123.196	TUMKYJZLQCKDQQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001642
NC1(C(=C(C1=C)C)C)C	PC-id_55291026	123.196	QCHBEQZBXOUPAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001643
NCCC(C1=CC=C1)C	SCHEMBL9973620,PC-id_67990051	123.196	ZZTYMPNLZASDCE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001644
C1(C([C+]=C1C)(C)C)(C)C	PC-id_85786134	123.215	LXJSNZOVADBQPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001645
CCC1=CC(C1)[C-](C)C	PC-id_90913239	123.215	LLXUTQYMCBEOID-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001646
C[C@@]1(C=CC1(C)C)[Si]	PC-id_135039305	123.248	VBSUDAUJMBRFJR-ZETCQYMHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001647
BOC1=C(C)C(=O)C1=O	SCHEMBL759999	123.902	DABRRBJXVACRQQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001648
C1C(C(=C1Cl)F)F	PC-id_150289348	123.989	GHGHMHSRCLGOOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001649
C1(=C(C(=C1F)F)F)F	PC-id_85850811	124.036	CZCWNUQRLNESIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001650
FC1(F)C(F)(F)C#C1	PC-id_86190643	124.036	HCCMSYBARILFOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001651
C=C(C1=CCC1)C(=O)O	PC-id_153820316	124.052	PWSUHJWZKKIMIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001652
COC=CC1=CC(=O)C1	PC-id_154249793	124.052	RXLRCAKVFFZJFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001653
FC([C@H]1OC=C1)(F)F	PC-id_122402051	124.061	DJMFGHGKXDCWLA-VKHMYHEASA-N	00001100000000000000000000000000000000000000000000000000	06-01-001654
CCNC(=O)C1=NC=C1	PC-id_154494778	124.064	ZRPGJWOHCHQRBK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001655
C1C(CO1)CN2[CH-]C=C2	PC-id_150143031	124.077	FDRIHCXIZGDGJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001656
CC(C)(C)OC1=CN=[C-]1	PC-id_153948111	124.077	FTOFRMXJFJIXLQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001657
CC(C)COC1=CN=[C-]1	PC-id_153971186	124.077	BPBMNRUAZHTZHF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001658
[B]C1=C(CC1)NC(N)O	PC-id_147368018	124.081	MCGFTWBJLUWZSC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001659
C=CC1=C(O)C(=O)C1=O	PC-id_58220552,SCHEMBL916584	124.094	YDTMEWBWUSIGQW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001660
O=C1C(=C(C1=O)C=O)C	PC-id_22084034	124.094	JAGNLYZSEMOBOD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001661
CCC1=NC(=C)C1CN	PC-id_164040061	124.1	VPKATZYLZJKPMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001662
CC(C)(C)C1=NC=C1N	PC-id_155251080	124.1	HZSOZDWPFSEALB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001663
CC1C=C(C1C)C(C)C	PC-id_153317711	124.125	IJHKRASWBNDINI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001664
CC(C)CCC1CC=C1	PC-id_153862426	124.125	YINYSBACFCMGSP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001665
C1CC(=C1)C=CC(=O)O	SCHEMBL10378479,PC-id_88601967	124.137	YJJTVHJNEKQZCF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001666
C=CC1=C(CC1)C(=O)O	SCHEMBL723494	124.137	HDMYUBVNVYHKLC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001667
CC=C1C(=C(C1=O)C)O	PC-id_90444265	124.137	MRRMJCCJXXFYQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001668
C/C=C
/C(=C(C1=O)C)O	SCHEMBL16080094	124.137	MRRMJCCJXXFYQL-HYXAFXHYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001669
CCC1=C(C)C(=O)C1=O	SCHEMBL13881880,PC-id_59379761	124.137	GMFHOSZBRVJXES-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001670
CC(C1=CC(=O)C1=O)C	PC-id_58812172,SCHEMBL2625308	124.137	KLZPXMQNSWQTLU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001671
CCCC1=CC(=O)C1=O	PC-id_141411345	124.137	IZTDLRYVZNEZKI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001672
C=CC(=O)OC1=CCC1	SCHEMBL2499163	124.137	HRZRMSIDSYVZPE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001673
C=COC(=O)C1=CCC1	PC-id_54459849,SCHEMBL247223	124.137	XAVWTNVTWTUDOK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001674
COC(=O)C1=CC(=C)C1	PC-id_13159322,EMOLS-id_337899039	124.137	FPJXNIVZBJLXOR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001675
[O-]C1=C(CC)C(=O)[C+]1C	PC-id_59081707	124.137	ULUSCJRKEDMSJB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001676
OC1=C(C(=O)/C/1=C/C)C	PC-id_20660072	124.137	MRRMJCCJXXFYQL-HWKANZROSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001677
O(C1=C(C(=O)C1=C)C)C	PC-id_20669374	124.137	IVLWWALAAPNZFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001678
O=CC1CC(=C1C=O)C	PC-id_118281676,SCHEMBL16976640	124.137	HGCSJIUECGCOLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001679
C#CC1=C(C#C)C=C1C#C	PC-id_101567978	124.139	BVCIPPXDFXWTJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001680
CN(C(=O)C1=NC=C1)C	SCHEMBL2723633,PC-id_20517135	124.141	APUCQYMTNZQNDR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001681
NC(=O)C1=NC(=C1C)C	SCHEMBL2723635,PC-id_57186428	124.141	UPYXKEAOXBAIFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001682
[Al](C1=C(CC1)C)(C)C	PC-id_16711772	124.16	FLNKESFFYFOUSR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001683
CC1=C(C)C(C1=O)(C)C	PC-id_13382756,SCHEMBL13760012	124.18	QCDZBDZMXCJZTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001684
CCC(C1CC#C1)CO	PC-id_141755503	124.18	ARTZHOSMKCYZQG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001685
CCCCC1=CC(=O)C1	PC-id_12442462,SCHEMBL9276218	124.18	NAUNYCCKSCFGOF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001686
CCCC(=O)C1=CCC1	PC-id_88929623,SCHEMBL12518468	124.18	MMRXHNSWZBSGQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001687
CC(C)C(=O)C1=CCC1	PC-id_89965620,SCHEMBL15468834	124.18	BBWAZXLBNYXNLJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001688
CC(=O)CC1=CCC1C	SCHEMBL16359885,PC-id_117791106	124.18	RKGKCMQJZBMUCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001689
O=C1CC(=C1)C(C)(C)C	PC-id_13382760	124.18	BRCFXKWYHCFNJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001690
O=C1C(=C(C1)CC)CC	PC-id_13776974	124.18	FQAYIUCVTOQDNO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001691
O=C1C(C(=C1)CC)CC	PC-id_13776976	124.18	MPVLFXRULXJHCO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001692
O=C1CC(=C1C)CCC	PC-id_60130878	124.18	AKGWGZOIWHHGMH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001693
O=C1C(C(=C1C)CC)C	PC-id_71444037	124.18	XXFTUEXNBZQSAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001694
O=C(C1=C(CC1C)C)C	PC-id_14141625	124.18	DBNPBZLNYQDORR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001695
OCC1=CC(=C(C)C)C1	PC-id_14196394	124.18	WYAICEWCZKSJHY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001696
CC1CC=C1/C(=C/N)/N	SCHEMBL20247793,PC-id_134594300	124.184	JGUGGHGRENYRFP-DAXSKMNVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001697
CC(C1=CNC1C)C=N	PC-id_138720810	124.184	PPKGEXDGWXTASQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001698
CC(C1=CN[C@H]1C)C=N	SCHEMBL21099086	124.184	PPKGEXDGWXTASQ-GDVGLLTNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001699
CCC/C=C
/CN=C1N	PC-id_141770802	124.184	RXRDHCCVFDAEIE-XQRVVYSFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001700
CC(C(=N)C1CC=C1)N	SCHEMBL19337175	124.184	IOGKMWRFCCXVNK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001701
CCN(C1=CN=C1)CC	PC-id_70423110,SCHEMBL10701880	124.184	HZWLONNFGUXODT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001702
CCN(C1=NC=C1)CC	PC-id_70407889,SCHEMBL11221622	124.184	ROABCAHOMGCUCF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001703
CN(C1=CC(=C)N1C)C	SCHEMBL18830564	124.184	SPICJYJVAKONGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001704
N1=C(CC1N=CC)CC	PC-id_58219825	124.184	NQGMJYZWAITOPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001705
N1=C(/N=C/C)CC1CC	PC-id_76706743	124.184	BMOFAGSZVYISHU-XBXARRHUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001706
N=CC1C=CC1N(C)C	SCHEMBL19479329	124.184	XVFVTJJYFSAANL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001707
CC1=C(C)C(=C)C1=S	PC-id_143344694	124.203	OBZYUKYGILOXFQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001708
C[N+](=C1C=CC1(C)C)C	PC-id_101882165	124.203	RKIAOMHUHNXZNH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001709
C1(=C(CC1)C)CCCC	PC-id_10820522	124.223	KSIQVMUAQRDBNU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001710
C1(C(C=C1C)(C)C)(C)C	PC-id_21428502	124.223	BUVNWKLDPULJIP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001711
C1(=CCC1)CCCCC	PC-id_22621653	124.223	PQMMCEQYQMSBEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001712
C1(C(C(=C1C)C)C)(C)C	PC-id_54233969	124.223	QLFOEPTUOSEOBH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001713
C1(C(C)(C)C)(CC=C1)C	PC-id_12628174	124.223	SZTDHGKBAJEGLU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001714
CC1C=CC1CC(C)C	PC-id_91516619	124.223	BEDKSHZNLBEMGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001715
CC1=C(C([C@@H]1C)(C)C)C	PC-id_101916605	124.223	QLFOEPTUOSEOBH-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001716
CCC1=CC(C1)(C)CC	PC-id_54017264	124.223	KWLWARFWMCUWLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001717
CCC1C=C(C1CC)C	PC-id_90821589	124.223	WTMRRNIZLCCTCX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001718
CCC1=CC(C1)C(C)C	PC-id_90913240	124.223	KFUICZTUZKKAJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001719
CCC1C=C(C1C)CC	PC-id_91516519	124.223	LKCOQJKFSREYQQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001720
CC([C@@]1(C)CC=C1)(C)C	PC-id_100918452	124.223	SZTDHGKBAJEGLU-SECBINFHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001721
CCCC1=CC(C1)CC	PC-id_91545386	124.223	INONHFGHACRSDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001722
CCC(C)C1(CC=C1)C	PC-id_90755783	124.223	RIMUKNFYUCESRH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001723
CCC(C)C1CC=C1C	PC-id_91511833	124.223	LOTDZPAWMJDYPP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001724
CCCCC1C=CC1C	PC-id_91513780	124.223	GKOFULYHZBLOLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001725
CCCCCC1CC=C1	PC-id_90930330	124.223	OXHWIIKZVBAAOM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001726
CC(C)C(C)C1CC=C1	PC-id_91106377	124.223	MPFNVLSISYJAGZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001727
C[Si](C)(C)C1=CC=C1	PC-id_134888767	124.256	COEDTCZNEMUDDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001728
ClC1=C(Cl)OC1	PC-id_85873159	124.953	UCJBEJANDBNWQI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001729
BNC1=C([C@@H](C1N)N)C	SCHEMBL14629634	124.98	WZHAKMAPZOECBX-WUCPZUCCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001730
CC1CC(=C1)N=C=S	PC-id_163857741	125.03	OZUCZZWMMBEOHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001731
C1=C([C-]=N1)COC(=O)N	PC-id_154227380	125.036	DCYRHBKTPUMVJT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001732
C
C=C/C1=CC[N+](=O)[O-]	PC-id_163819816	125.048	NUKJYRIAIYZNCD-GQCTYLIASA-N	00001100000000000000000000000000000000000000000000000000	06-01-001733
CC(=O)CC1C=NC1=O	PC-id_153827535	125.048	UXXUGBXWXQLUFG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001734
CC1=C(C(=O)C1=O)N=O	SCHEMBL12198258,PC-id_88892169	125.082	FLKDTJZCKCUQKC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001735
NC(=O)C1=CC(=O)C1=O	SCHEMBL10647156	125.082	AATGOAVINSMRLM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001736
C1CC(=C1)CCCN=O	PC-id_149037525	125.084	QGXMLCHNYGSFEA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001737
C1C=CN1CC2COC2	PC-id_150143032	125.084	OCRJTZOBSDJPTJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001738
CC1CC(=C1C)C(=O)N	PC-id_153475122	125.084	MYBASAVJSHHMNI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001739
CC1(CC(=C1)C(=O)N)C	PC-id_154181297	125.084	DJASFTYTVGDPKM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001740
CC(C)(C)OC1=CN=C1	PC-id_153948112	125.084	RPYXDBYXLFVWOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001741
CC(C)COC1=CN=C1	PC-id_153971187	125.084	HHSUKKJLSKVLEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001742
CC(C)(C)OC1=C=NC1	PC-id_164070847	125.084	WPAYGBCSUMXBAK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001743
C=C(NCC1CC=C1)O	PC-id_147455069	125.084	DYUUNDSQYXBQHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001744
CC(=C1CN=C1)NNC	PC-id_155052672	125.095	GUHUYVYDKAWQTH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001745
CNC1=CC([C@@H]1N)C=N	PC-id_163767082	125.095	MDGBROHFIGZXMD-RZKHNPSRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001746
CC[C@@]1(C=CC1(C)N)C	PC-id_163932836	125.12	RKDRAUXXMJMBAM-GVHYBUMESA-N	00001100000000000000000000000000000000000000000000000000	06-01-001747
CCC1C=C(C1N)CC	PC-id_163721622	125.12	KSBRJZMVDWPVFS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001748
CCC1=CC(N1)(C)CC	PC-id_163909697	125.12	QRAPMNLZYWSSIC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001749
CCC(C)C1C=CC1N	PC-id_163546991	125.12	FFWHEGCAQYLXGH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001750
CC(C)(C)C1CC(=C1)N	PC-id_163940830	125.12	RQVFAQYJOLZFDI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001751
CCCCC1=CCC1N	PC-id_163987891	125.12	TXYAQDONJCXTQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001752
CCC(C)C1=CCN1C	PC-id_148392000	125.12	LQDOWKBCVRONGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001753
CCCNCC1=CCC1	PC-id_148008104	125.12	IYGUAKWIIQWUTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001754
CCNC1=CC(C1C)C	PC-id_163821177	125.12	NVNIWWOLBFPKAV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001755
C1CC(=C1)N(C=O)C=O	PC-id_134170588,SCHEMBL19771735	125.125	FSFMOJOANRWCCM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001756
C1=CN=C1CCC(=O)O	PC-id_91523625	125.125	YLDYPJMYMFUVRA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001757
CCNC1=CC(=O)C1=O	SCHEMBL8768898	125.125	IOYFHTXSNCBMRK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001758
CNC1=C(C)C(=O)C1=O	PC-id_20712511,SCHEMBL408920	125.125	BBONDHQWTRXSMK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001759
CNC1=C(O)C(=C)C1=O	SCHEMBL791732,PC-id_23378347	125.125	KAIWOTCHERKPPZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001760
COC=C1C=NC1C=O	PC-id_142770265	125.125	FREMNRQCVGBWCR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001761
O=C1C(=CC1=O)N(C)C	PC-id_12503036	125.125	NPADJCNFYXGMSX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001762
O=C1C(=C(N)C1=O)CC	PC-id_59460280	125.125	SMZSMUSKTREREB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001763
OC1=CNC1=C(O)C=C	PC-id_73557504	125.125	VMSKWPGTXXQQRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001764
O(CC)C(=O)C1=NC=C1	PC-id_57031476	125.125	MXUHECYLLUBNMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001765
OC(=O)C1=NC=C1CC	PC-id_53691762	125.125	BNSIPIVMIJHTDS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001766
OC1=C(CC)C(=O)[C+]1C	PC-id_59081708	125.145	ULUSCJRKEDMSJB-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-001767
CC1(CC)OC=C1C=N	PC-id_142379685	125.168	GJBFUFAZTBLRGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001768
CCC1(CC=C1)C(=O)N	SCHEMBL19429716	125.168	CBPOMAWHNIBGGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001769
CC(C1=CNC1=O)(C)C	PC-id_70368174,SCHEMBL10441520	125.168	CSJXCFYVMJBALV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001770
CC(C1=CN(C1=O)C)C	SCHEMBL19003491	125.168	UMMLQQLIRIZIKS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001771
CC(C1=NC=C1O)(C)C	PC-id_89618979,SCHEMBL15017918	125.168	ULXJQXYNGNYAQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001772
C/C=CC1=C[C@H](N1)OC	SCHEMBL19992449	125.168	PFCMQZAKCNLLHI-KFOINNEUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001773
C/C=CC1=CC(N1)OC	PC-id_134365017	125.168	PFCMQZAKCNLLHI-ARJAWSKDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001774
CC(=C)OC1=C[C@@H](N1)C	SCHEMBL18995577	125.168	OKXCZUVJUHIFRR-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-001775
CC(N1C=CC1=O)(C)C	PC-id_70368173,SCHEMBL10441518	125.168	WWLSIEVBLWWYOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001776
CCN=C1C=CC1OC	PC-id_91285952	125.168	GSNHLDZKRJNBJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001777
CCNC1=C(C=C1)OC	SCHEMBL10101950,PC-id_68035134	125.168	SZNRWVNCLNVWOW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001778
CCNC(=O)C1=CCC1	EMOLS-id_96444682	125.168	MEBPRLXMGOMNIF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001779
CC(=O)C1(CC=C1)NC	PC-id_91609898	125.168	HFFXFQBHWQWVHL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001780
CN(C(=O)C1=CCC1)C	EMOLS-id_114330013,PC-id_54193062,SCHEMBL11567183	125.168	PJVVQSCMTBGBNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001781
CN(C(=O)C1CC=C1)C	PC-id_141170410	125.168	CTSXLPLMJJNDLW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001782
O=C1NC=C1CCCC	PC-id_54328615	125.168	SWSVHJSJJDSGAP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001783
O=C(N)C1=CC(C1)CC	PC-id_55289304	125.168	IQPMRNMMBTXJLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001784
O=C(N)C1=C(CC1C)C	PC-id_60107907	125.168	YFWZWVUABHBWPD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001785
O(NC1=CCC1)CC=C	PC-id_57223177	125.168	YZVBOMYGHJTKBD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001786
CCC1=C(C(C1=N)N)N	PC-id_89327996	125.172	YBKZMQWHMRIUCW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001787
CCC1=C(N)[C@H](C1=N)N	SCHEMBL14401565	125.172	YBKZMQWHMRIUCW-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-001788
CN(N1CC=C1)C=NC	PC-id_118402610	125.172	FRGAFTVKOTUNBX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001789
CN(N1CC=C1)/C=NC	SCHEMBL17122514	125.172	FRGAFTVKOTUNBX-SREVYHEPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001790
CN(N1CC=C1)/N=CC	SCHEMBL17635613,PC-id_118983530	125.172	SFIQHQXLNHVAQW-CLTKARDFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001791
C1CC(=C1)C(=O)O[Si]	PC-id_87249317	125.177	DHDLITQCQLSPML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001792
C1=CN/C/1=C/C=CS	PC-id_137402264	125.191	XTUQLVMMZAVUCO-SOSXVSKCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001793
NC1=C(S)C(=C)C1=C	PC-id_143345867	125.191	KDZZXQCBEPXMRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001794
S/C=CC=C1NC=C1	SCHEMBL20634194	125.191	XTUQLVMMZAVUCO-OAEHACQFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001795
CC1CC(=C1CCN)C	PC-id_88529787	125.211	FMHCBSDOPWSBSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001796
CC1=C(C(N1C)(C)C)C	SCHEMBL16659501,PC-id_118029232	125.211	HSTWDDAHVVCTET-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001797
CC(C1=CCC1)C(C)N	PC-id_91394133	125.211	WOPPACLQYVBXFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001798
CC(CC1=CCC1)(N)C	PC-id_117970228,SCHEMBL16589108	125.211	WULWVFKMIGRNAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001799
CCCC1C=C(N1C)C	PC-id_144654644	125.211	ZOEDFAQJAVSLOW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001800
CCCC1=C(NC1)CC	PC-id_89163080,SCHEMBL13757871	125.211	DDCLXUADNNUIFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001801
NCCC1=C(C[C@H]1C)C	SCHEMBL9885527	125.211	FMHCBSDOPWSBSZ-ZCFIWIBFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001802
NCCCCC1CC=C1	SCHEMBL20889810,PC-id_138536043	125.211	ZDYAMDROSGMPEY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001803
NCCC[Si]1=CC=C1	SCHEMBL6662684,PC-id_69856503	125.244	BELOJSPCWIDXQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001804
N#CC1=C(C(=C)C1)Cl	PC-id_142693143	125.556	INHWFDHESHCYCV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001805
COB(C1=CCC1)OC	PC-id_141481591	125.961	MXVZIDGVNASNQQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001806
CC(=O)OC1=CCC1=O	PC-id_153736890	126.032	RUVGOSVIRBLJMK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001807
C1=C(C=N1)COC(=O)N	PC-id_154227381	126.043	ANQSHOUESJMXLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001808
C1(C(C(=C1F)F)F)F	SCHEMBL250701,PC-id_87084136	126.052	BTZDAGMAHIWZOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001809
C1=C(C(C1(F)F)F)F	SCHEMBL3177571,PC-id_87489370	126.052	PDRSASATYOFAGS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001810
FC1=C(C(C1)(F)F)F	PC-id_17898666,SCHEMBL23159	126.052	BINYGOVCOFKJKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001811
FC1C=C(C1(F)F)F	PC-id_54280127,SCHEMBL9150416	126.052	RQFSLVTUIPRKPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001812
FC1(F)C=CC1(F)F	PC-id_11948316,SCHEMBL332518	126.052	GHTJJDFBXCKNEO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001813
C1[C+]=CN1C(=O)CCO	PC-id_153422594	126.055	VHVQRSTWBCDJIV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001814
CC1=CC(C1)C(=O)OC	PC-id_154125709,EMOLS-id_337899793	126.068	GGGGISHXDYWKSX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001815
CN(C)N(C)C1C[N+]#C1	PC-id_164025881	126.103	JILPXQSFPOTDBJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001816
C1CC=C1OC(=O)C=O	SCHEMBL16500348,PC-id_117900050	126.11	QBCTXKGUTQXONU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001817
C1(=O)C(=C(OC)C1=O)C	SPECS-id_AS-970/QB06683,MCULE-7904850595,EMOLS-id_114330355,SCHEMBL2735724,PC-id_13351135	126.11	OOXBHFOYSVQPMM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001818
CCC1=C(O)C(=O)C1=O	SCHEMBL791826,PC-id_58059391	126.11	USZWHZSEBFMNNK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001819
CCOC1=CC(=O)C1=O	PC-id_11094616,SCHEMBL1704134	126.11	DQJCZYOSORVVFB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001820
CC(=O)OC1=CC(=O)C1	PC-id_10855452,SCHEMBL9397681	126.11	AEPRJYUWEJMQRA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001821
COC(=O)C1=CC(=O)C1	EMOLS-id_330932219	126.11	BDUZBGDDQIZZIC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001822
CNC1=C(N)C(=O)C1=O	SCHEMBL2874352,PC-id_15273878	126.113	OLOCPECNTOMOGD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001823
N/C=C
/C(=C(C1=O)N)O	PC-id_118486231,SCHEMBL17226357	126.113	FYCSHUAXHTVDBX-UPHRSURJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001824
CC1C=C(N1CCN)C	PC-id_154970515	126.116	PICYLEIMPSQXPP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001825
CCC(C)[N+]1(CC=C1)C	PC-id_163720613	126.128	CRUUDNONGFWGNS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001826
O=C(C1=NC=C1)N=S	PC-id_53939658,SCHEMBL758943	126.136	IWXHTKYHHINPFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001827
C1(=CC(C1)(C)C)C(=O)O	PC-id_45116563,EMOLS-id_37181617,SCHEMBL10940131,MCULE-6051429831,ZINC22_39117897	126.153	FPDGGJZURPQAMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001828
CC1=C(O)C(C1=O)(C)C	PC-id_20773576,SCHEMBL13209243	126.153	XHPDQSJBLIJBEO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001829
CCC1=C(CC1)C(=O)O	PC-id_19867470,SCHEMBL105194	126.153	BEQVMFNDVZHIBK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001830
CCC(=O)OC1=CCC1	SCHEMBL404170,PC-id_22051869	126.153	OHNZMSGWMOMPPZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001831
CCC(=O)OC1CC=C1	SCHEMBL7224503,PC-id_88116141	126.153	JEAZJUCIHRWCHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001832
CCOC1=C(C)C(=O)C1	PC-id_13040708,EMOLS-id_337767723	126.153	NEKZPBWXFMNALS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001833
CCOC1=CC(=O)C1C	MCULE-4200645766,EMOLS-id_337738172	126.153	CURYDTHVYVHSFJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001834
CCOC(=O)C1CC=C1	EMOLS-id_337900317	126.153	LASSXVYKCIYNEZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001835
CCOC(=O)C1=CCC1	SCHEMBL43932,PC-id_22223228,MCULE-7387217136,EMOLS-id_70104069	126.153	DKKIUDLHMPRWBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001836
CC(=O)OC1=CC(C1)C	PC-id_54009092,SCHEMBL527820	126.153	KRAHJZLEIJYTBX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001837
CC(=O)OCC1=CCC1	PC-id_89496848,SCHEMBL14855871	126.153	ZYQZZWYWULJWMD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001838
COC(=O)C1=CCC1C	EMOLS-id_337902096,PC-id_12523844	126.153	PEMZVKDQDIGTRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001839
COC(=O)C1=C(CC1)C	SCHEMBL2490865,PC-id_21107903	126.153	NXSVEZNUKFLAQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001840
COC(=O)C1(C)CC=C1	MCULE-4125807044,PC-id_45116489,EMOLS-id_54869340	126.153	AZRULMGFTKUOCV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001841
COC(=O)C1=CC(C)C1	SCHEMBL8588994,EMOLS-id_337897243,PC-id_12523845	126.153	SGXVMULEQVCRML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001842
COC(=O)[C@]1(C)C=CC1	ZINC22_39117664,PC-id_93510351	126.153	AZRULMGFTKUOCV-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001843
COC(=O)[C@@]1(C)C=CC1	ZINC22_39117666,PC-id_93510352	126.153	AZRULMGFTKUOCV-ZETCQYMHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001844
COC(=O)CC1=CCC1	PC-id_12592110,SCHEMBL2237455	126.153	BDVDNYRYEOOFFC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001845
OC1(C(=C(C1=O)C)C)C	PC-id_10261091	126.153	DWDFIMJWMLPBDG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001846
OC(=O)C1=CC(C1)CC	PC-id_14693478	126.153	SGNJQXXBFHTBMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001847
OC(=O)C1(CC(=C1)C)C	PC-id_23264404	126.153	ZGIWIOMRVUMEBN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001848
OC(=O)C1C(C=C1C)C	PC-id_55301969	126.153	UYZFISFMCKWYPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001849
OC(=O)C1=C(CC1C)C	PC-id_60107904	126.153	BQYIYGABNPNGLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001850
OC(=O)CCC1CC=C1	PC-id_143152323	126.153	RVJNWUUUPHEXRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001851
CCC1(C)OC(=C1C)C	PC-id_145356996	126.196	KGYFAFJLCCWXSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001852
CC(CC1(O)CC=C1)C	SCHEMBL15891576,PC-id_90293900	126.196	ONUPCPYSOQLYPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001853
CCC(CC1=CCC1)O	PC-id_144538172	126.196	BIFKLKGODBGLSI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001854
CCCCC1=C(CC1)O	PC-id_88965967,SCHEMBL12830639	126.196	DMNYISOMCHKHLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001855
CCCCC1CC(=C1)O	SCHEMBL18677010	126.196	FMTGTPUXOSYHJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001856
CCCCOC1=CCC1	PC-id_140053098	126.196	YOPABZZKXAJAQJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001857
CCCCO[C@H]1CC=C1	SCHEMBL16254144,PC-id_117710279	126.196	KQYPAVXNTNVKOG-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001858
CC(OCC1CC=C1)C	SCHEMBL19107499	126.196	CMNYBBDDILXUQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001859
COC(C1=C(CC1)C)C	SCHEMBL13657195	126.196	WHQLLDLFADQNSB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001860
OC1(C(C)(C)C)CC=C1	PC-id_86006126	126.196	BZRIZWSICVCWGI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001861
O(CCC1=CCC1)CC	PC-id_13780741	126.196	KBGDDBDFNSSFMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001862
CCC1(CC=C1)CNN	PC-id_89330053,SCHEMBL14405469	126.199	NXWNLHOFTQJDJI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001863
CNC1=CC(C1)(C)NC	PC-id_145398573	126.199	MIIWVYMHPQHADS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001864
CNCC1CC(=C1)CN	PC-id_145628799	126.199	PBWNYWZRAXIQQQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001865
NCC1CC(=C1CN)C	PC-id_55289799	126.199	SFOZLMKGEHJCLO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001866
C1CC(=C1)CCC=S	SCHEMBL13178738,PC-id_89029737	126.219	GVZCXPRHLUHLSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001867
[Si](OC1=C(CC1)C)C	PC-id_57616973	126.228	MWSJWRLMTKMBAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001868
[Si](C1=CCC1)(C)(C)C	PC-id_13197287	126.272	CLCLIPGZNIQPTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001869
[Si](C1CC=C1)(C)(C)C	PC-id_59821404	126.272	FYMRHQXLCNUWBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001870
C=C1C=C(C1(F)F)C#N	PC-id_154303277	127.023	HBIASUJXJXFIAI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001871
C1C[N+](=C1C=O)C(=O)[O-]	PC-id_153927797	127.027	IFISUZFLWXCTQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001872
C[C@@H]1C(=C(N1)N)C(=O)[O-]	PC-id_163852977	127.051	BFGUMKNDMAXKJS-UWTATZPHSA-M	00001100000000000000000000000000000000000000000000000000	06-01-001873
C1(=C(C(=O)C1=O)O)N=O	SCHEMBL10045585,PC-id_136454478	127.055	ALQUFOQKMHMZOH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001874
O=C1C(=CC1=O)[N+](=O)[O-]	PC-id_54147852	127.055	OFQIFXGFQSYRSH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001875
C1C(C=C1C(=O)O)CN	PC-id_154197032	127.063	RLSKTSGRGMPJLL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001876
C1C=CN1C(=O)CCO	PC-id_146762556	127.063	RPSITLBTLNKORZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001877
CC1=C(C(=O)C1O)NC	PC-id_154514011	127.063	FQMGIGNIWNQWBN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001878
CCNC1=C(OC1=O)C	PC-id_153377002	127.063	XRYZUTAYZVKGEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001879
CC1=C(C[C@@H]1F)NC=C	PC-id_163800745	127.08	NESVNAXHNQWTCH-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-001880
C[C@H]1CC(=C1F)NC=C	PC-id_163869221	127.08	PJHXOLNHRMJMQT-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001881
CC1=C(N)C(=P)C1=O	PC-id_143345869	127.081	LVHSUJILNDKBFH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001882
CC1=C(C(=O)C1=O)NO	SCHEMBL14595188,PC-id_89374602	127.098	OJCHPJCBRIJXEQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001883
CNC1=C(O)C(=O)C1=O	EMOLS-id_96415118,PC-id_11686911,SCHEMBL791197	127.098	ODJCOOCNJCPYTM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001884
COC1=C(N)C(=O)C1=O	PC-id_13452205,SCHEMBL1933495,ZINC22_39649029,MCULE-8801231882,EMOLS-id_295591760	127.098	ZYCNYMHVHURBEH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001885
OC1=C(CN)C(=O)C1=O	PC-id_10261096	127.098	VHXDFXYYTFZOAG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001886
N#CC1=C([CH+][C]1C#N)C#N	PC-id_101017410	127.103	KCDDMJNRGYAZTC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001887
N#CC1=C(C#N)C=C1C#N	PC-id_101511435	127.103	IRXKXBYPYKZCLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001888
C[C@H]1CC=C1NNNC	PC-id_164021483	127.111	HCOJPQQINNQXBK-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001889
CC1=C(C(=P1)C)CN	SCHEMBL14081597,PC-id_89243256	127.124	UHQURDLYQLQQPU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001890
C1C=C(C1CN)C(=O)O	PC-id_87273416,SCHEMBL1660695	127.141	JQCRRERVSSXYKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001891
CC(C1C=NC1=O)OC	PC-id_89415784	127.141	JGSZAFODSIQRJS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001892
CCC(=O)ON1CC=C1	PC-id_139714624	127.141	DKZYORQSFOZNOD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001893
C[C@H]([C@@H]1C=NC1=O)OC	SCHEMBL14723687	127.141	JGSZAFODSIQRJS-UHNVWZDZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001894
COC(=O)NC1=CCC1	PC-id_117689092,SCHEMBL16225012	127.141	IDCPIGOCHNQTQK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001895
CONC(=O)C1=CCC1	EMOLS-id_114331276	127.141	JYVCXHNUAGDXJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001896
NC(C1=CCC1)C(=O)O	PC-id_85435490,EMOLS-id_96218307	127.141	IXIVZYOSQGHLJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001897
O1CC(NC2=COC2)C1	PC-id_55283338	127.141	UPBIQNULHXUZME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001898
O(C1=C(CC1)C(=O)N)C	PC-id_18947980	127.141	HGCONEYPHSFBAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001899
OCC1C(C=C1)C(=O)N	PC-id_15333803	127.141	ZWCODQQZLODFKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001900
OC[C@H]1[C@H](C=C1)C(=O)N	PC-id_10725356	127.141	ZWCODQQZLODFKY-WHFBIAKZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001901
OC[C@@H]1[C@@H](C=C1)C(=O)N	PC-id_55281829	127.141	ZWCODQQZLODFKY-RFZPGFLSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001902
O=C(NCO)C1=CCC1	SCHEMBL9567550,PC-id_53802208	127.141	FJFMXIUNXMUXRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001903
OC(=O)C1C(NC)C=C1	PC-id_55287963	127.141	XXJMZVMFOUGCQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001904
OC(=O)[C@@H](N)C1=CCC1	PC-id_12147242	127.141	IXIVZYOSQGHLJD-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001905
NC[C@@]1(CC=C1)/C=C/F	SCHEMBL17937288,PC-id_122420374	127.159	XKMPUTZTQFNCOX-KPJROHGDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001906
CC1=C(C([C+]1C)(C)F)C	PC-id_85872381	127.179	WKOSIBIPPPAJOA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001907
CC1=CCC1(N(C)C)O	PC-id_91390689	127.184	LBNGMLBJLTUKJK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001908
CC1=CC[C@H]1OCCN	SCHEMBL19493373	127.184	LDBKZJBPJGZVJJ-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001909
CC(C)C1(CC=N1)CO	PC-id_90822142	127.184	WUZIDIPRIJTCIC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001910
CC(CNC1CC=C1)O	PC-id_88344251	127.184	ULLMNTJRMGYNES-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001911
C[C@H](CNC1CC=C1)O	SCHEMBL8674600	127.184	ULLMNTJRMGYNES-ULUSZKPHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001912
COC1=C(C(N1)(C)C)C	PC-id_101663513	127.184	PJJQXNMEOGOWBK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001913
O(C1=NC(C1C)(C)C)C	PC-id_544593	127.184	SZIAZHTWKFGHDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001914
[O-][N+]1=CC(C1)(CC)CC	PC-id_13917893	127.184	AKXNTFHBBKWVCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001915
NNC1=C(C(C1C)C)N	PC-id_143715763	127.188	DALXPESKGTZPNQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001916
CCC1=NC(=C1)SC	SCHEMBL11014766,PC-id_70491970	127.207	NVBLCTWEKKITHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001917
NCC(=C)C1SC=C1	PC-id_139802160	127.207	VMUHQTCRHBWRQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001918
C(C1=C(OC1=O)C=O)O	PC-id_153832445	128.011	HFENLGLTRQIZKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001919
FC1=C(C(O1)(F)F)F	PC-id_102034479	128.025	RPUUSHLIDVHIGP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001920
C1CC(=C1)C(=O)O[SiH3]	PC-id_154355999,SCHEMBL1481724	128.029	NGDGMAZNCZHENL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001921
C1CC(=C1C(=O)O)[SiH3]	PC-id_162246979	128.029	ZXLVSBWHBMYUTN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001922
C1C[N+](=C1C=O)C(=O)O	PC-id_153927798	128.034	IFISUZFLWXCTQZ-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-001923
CNC1=C(C(=S)C1)N	PC-id_163923753	128.041	RCQYPYOYZTWAPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001924
C1C(C=C1C(=O)O)CO	PC-id_154149670	128.047	OPIUEFASZGWACK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001925
C[C@@H]1C(=C(N1)N)C(=O)O	PC-id_163852978	128.059	BFGUMKNDMAXKJS-UWTATZPHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001926
CC1=C(P)C(=O)C1=O	SCHEMBL14354920,PC-id_59001836	128.066	OAVHXWOWXCTWIU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001927
COC1=C(O)C(=O)C1=O	SCHEMBL88301,PC-id_13315551	128.083	GZRYKHBCKGAEHM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001928
OC1=C(C(=O)C1)C(=O)O	PC-id_118856084	128.083	OBQWRBLRZDXOLQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001929
NNC1=C(O)C(=O)C1=O	SCHEMBL21252624	128.086	HMRHHBAIAORGJR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001930
C1(=C(C(=O)C1=O)[S-])[O-]	PC-id_134976620	128.106	MXNGXGAYQHMFEL-UHFFFAOYSA-L	00000100000000000000000000000000000000000000000000000000	06-01-001931
C1CC(=C1)OC(=O)CO	PC-id_87276652,SCHEMBL1685007	128.126	QAYGDCIPPZBLLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001932
CC1(CC(=C1)C(=O)O)O	PC-id_91085961	128.126	SPQOZDDTUSIDTH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001933
CC1C=C(O1)C(=O)OC	PC-id_90987163	128.126	WKPQFOPXVGLQTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001934
CCOC(=O)C1=COC1	SCHEMBL4304979,PC-id_22708970	128.126	HJXLIQUXUKUIFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001935
COC1=C(CC1=O)OC	SCHEMBL18029596,PC-id_90753131	128.126	TUICQGPQTULYGL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001936
COC(=O)C1=CCC1O	EMOLS-id_337902614	128.126	SEGAQBJUSAJCFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001937
OC1=C(O)C(C1=O)(C)C	PC-id_22263467,SCHEMBL5609964	128.126	QHDWVDBYRXNKNL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001938
OCC1=C(CC1)C(=O)O	PC-id_13265874,EMOLS-id_96442137	128.126	YVNYUMJZXHVFJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001939
OCC1C(C=C1)C(=O)O	PC-id_76225652	128.126	SSLHXKHCCJOJIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001940
OC[C@H]1[C@H](C=C1)C(=O)O	PC-id_55301043	128.126	SSLHXKHCCJOJIW-WHFBIAKZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001941
C1CC(=C1)N(C(=O)O)N	PC-id_88363339,SCHEMBL8771722	128.129	WJGLENXDAOYOJZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001942
C1CC(=C1)NNC(=O)O	PC-id_88363340,SCHEMBL8771727	128.129	GMBLMONUIMYTHX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001943
[O-][N+](=O)N1CC(=C1)CC	PC-id_9989286	128.129	LZAOEQCERFUGOQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001944
CCCC1=CC(=C1F)O	PC-id_117969636,SCHEMBL16588258	128.144	ZMYLHTUTRDKCHD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001945
CC1(CC=C1)CCP	PC-id_89047221,SCHEMBL13265486	128.152	WJOGBTFFFWZZDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001946
CC1C=C(C1CO)CO	PC-id_91488174	128.169	XMDBKTRQQZTZQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001947
OOC(C1=CCC1)(C)C	PC-id_143963257	128.169	PPCKQXLOCFTJKF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001948
C=C(C1=CC=C1)C=C1C=C1	PC-id_101063577	128.171	KAJSNDPCIZSWCX-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-001949
C=CC(=C1C=C1)C1=CC=C1	PC-id_101063578	128.171	GQJHYSYYPNTSIH-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-001950
CC1=CC(C1(C)NN)O	PC-id_90253590,SCHEMBL15840006	128.172	HMXBEAIABYUKBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001951
CC1C(=C(N1)C(C)N)O	PC-id_89177217,SCHEMBL13817381	128.172	WXMWHCGWIWMSFG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001952
COC1CC(=N1)N(C)C	PC-id_139395060,SCHEMBL21251311	128.172	VLJLRUMJMMSOSU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001953
CSC(=O)C1=CCC1	SCHEMBL19017670	128.192	RHYQIRWVLDYFAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001954
C=C1C(=CC1=S)S	PC-id_88986885,SCHEMBL12954643	128.215	XQAPEGYBVYQOAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001955
CC1=C(C(S1)(C)C)C	SCHEMBL16659499,PC-id_85648437	128.235	LFBNPKWSFFEFRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001956
CC(C1=CCS1)(C)C	PC-id_58408071,SCHEMBL12370902	128.235	ZKWYOLMCWZNXJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001957
S(C1=CCC1)CCC	PC-id_59683427	128.235	GTNXXMCEAAMCGY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001958
C[SiH2]OC1=C(CC1)C	SCHEMBL13914979	128.244	FINDAFLALNHANB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001959
C1CC(=C1)CC=CCl	SCHEMBL10405351,PC-id_88605767	128.599	DTCXDQVIPOPYGX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001960
C=CC(C1=CCC1)Cl	PC-id_88605765,SCHEMBL10405349	128.599	NNIJZPFQPQHAML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001961
C=CCC1=C(CC1)Cl	PC-id_88605766,SCHEMBL10405350	128.599	WPVCLOZOKDQSAY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001962
CNC1=C(C(=[OH+])C1=[OH+])O	PC-id_148743785	129.041	ODJCOOCNJCPYTM-UHFFFAOYSA-P	00000100000000000000000000000000000000000000000000000000	06-01-001963
CNC1=C(C(=O)C1O)O	PC-id_154546966	129.043	RTXRWTVEQLFLCT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001964
NOC1=C(O)C(=O)C1=O	SCHEMBL2871822,PC-id_19064070	129.071	APSKZQFHYSRUSZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001965
FC1=C(N=C1C(=O)O)C	PC-id_53700942,SCHEMBL8600142	129.089	BTVXELGTMXFUSM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001966
CC(=O)NC1CC=P1	SCHEMBL20130677,PC-id_134490560	129.097	QDPFYJMGNCPJLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001967
CC(=O)OC1CC=[N+]1[O-]	PC-id_88358795,SCHEMBL8745415	129.114	BOOGABVSVGPHRT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001968
CNC1C(=C(C1=O)O)O	SCHEMBL19841907,PC-id_134233489	129.114	BAJMZZDWONQUPJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001969
OC1C(N=C1)(C)C(=O)O	PC-id_73010989	129.114	XSSAYXXRJGWNIO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001970
O(C1=NCC1O)C(=O)C	PC-id_54467087	129.114	XFQRPVNPLHOWAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001971
OC(=O)[C@]1(C)N=C[C@H]1O	PC-id_97303708	129.114	XSSAYXXRJGWNIO-NQXXGFSBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001972
OC(=O)[C@@]1(C)N=C[C@H]1O	PC-id_97303709	129.114	XSSAYXXRJGWNIO-WUJLRWPWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001973
OC(=O)[C@]1(C)N=C[C@@H]1O	PC-id_97303710	129.114	XSSAYXXRJGWNIO-WVZVXSGGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001974
OC(=O)[C@@]1(C)N=C[C@@H]1O	PC-id_97303711	129.114	XSSAYXXRJGWNIO-UCORVYFPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001975
FC1=C(N)C(C1=O)(C)C	PC-id_141170629	129.132	YKBOLJPHSUKCDX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001976
CC(C1C(C=N1)(C)C)F	PC-id_135143408	129.175	FIUMPNZNZLEWSH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001977
C[C@H]([C@@H]1N=CC1(C)C)F	SCHEMBL20290529	129.175	FIUMPNZNZLEWSH-RITPCOANSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001978
S(C1CC=C1)CCN	PC-id_58685129	129.223	ZJNKRMQZAUPYGZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001979
S(C1=C(NC)CC1)C	PC-id_20712519	129.223	FTMPJSXBXMVXIU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001980
CS(=O)(=O)C1=CN=[C-]1	PC-id_153928926	129.997	AVNPLOKRDHZAPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001981
C1CC(=C1)CC(=O)Cl	PC-id_163796619	130.019	NBJINSNJSLNNBY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001982
CC1CC(=C1)C(=O)Cl	PC-id_153777370	130.019	DYIWJICQAIBONE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001983
CC1=CC(C1)C(=O)Cl	PC-id_153777371	130.019	GQZNVAWKFAGYPS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001984
CC1=C(CC1)C(=O)Cl	PC-id_153777372	130.019	UGCMBVPXPXXRGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001985
CC1=C(C(=C1Cl)N)N	PC-id_164022192	130.03	VALJEAIHSCMUCK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001986
O=[P+]1CC(=C1)C(=O)[O-]	PC-id_145426202	130.039	SGGHGSZLROXSRS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001987
O(O)C1=C(O)C(=O)C1=O	SCHEMBL7751523,PC-id_23283812	130.056	LCOXSGKXJMAPMD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001988
CNON(C1CN=C1)[O-]	PC-id_163800563	130.062	LDTPASFBZCZFQF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001989
CC(C)OC1CC(=C1)F	PC-id_154645304	130.079	GBRVHEZABGKZLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001990
FC1(F)CC(=C1N)C#N	PC-id_55290498	130.095	ROPYWUWNTOLKHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001991
O=C1C(=C(C1=O)C#C)C#C	PC-id_45079135	130.1	IFECTWGZJAOLFF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001992
SC1=C(O)C(=O)C1=O	PC-id_54027332	130.122	MXNGXGAYQHMFEL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-001993
CCOC1=CC(C1O)O	PC-id_139974664	130.142	NIMWZCSYPMYNAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001994
COC1=C(CC1O)OC	PC-id_122499960,SCHEMBL18029754	130.142	PQCDCRDCTIFWGL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001995
C=CC1=C(C=C)N=C1C#N	SCHEMBL10786290,PC-id_70443878	130.147	APHRAZJENUXBFK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001996
C1CC(=C1)SC(=O)O	PC-id_87248870,SCHEMBL1479065	130.165	RWATWQGDJXYEQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001997
CS(=O)(=O)C1CC#C1	SCHEMBL18783548	130.165	AHALDPZYVKZTDH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001998
C1=CC(=C1)CCC1=CC=C1	PC-id_102253240	130.186	FTUPCVJPZBYXGP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-001999
C1(=CC(=C)C1=C)CCC#C	PC-id_13609817	130.186	RLHHJJFFNHJBLH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002000
CC1=C(C(C1)(C)S)O	SCHEMBL10025761,PC-id_88553475	130.208	KTFHHOXNUQZJPP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002001
CC1=C(C(=S)S1)C	PC-id_20588969,SCHEMBL13170228	130.231	ROGXCTSOBFIMSN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002002
CC1=C(Cl)C(=O)C1=O	SCHEMBL8978731,PC-id_12614360	130.529	XKDCGZYORFZGCF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002003
ClC1=CN=C1C(=O)N	SCHEMBL1694179,PC-id_21749310	130.532	AHALWTPFSUQQBN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002004
ClC1=C(CC1)C(=O)C	PC-id_86124492	130.572	IROHJRKBCIODFS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002005
CC(C1CC(=C1)Cl)C	SCHEMBL21419674,PC-id_139543923	130.615	XKURDXOXVDQJFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002006
ClCC1=C(CC1C)C	PC-id_55302632	130.615	YEHBEJVFAUVBQV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002007
ClCC1=C(C(C1)C)C	PC-id_55302830	130.615	UWIGYDGJHNTHCM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002008
CS(=O)(=O)C1=CN=C1	PC-id_151521473	131.004	PUOPRSQLBJFJSV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002009
CC1=CC(=[N+]1[O-])CCl	PC-id_163871293	131.014	PLALVXOLLPBZDC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002010
C1C=C(C1(F)F)N=[N+]=[N-]	PC-id_153806378	131.03	MVDADQJJIBAXTE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002011
CNO[NH+](C1CN=C1)[O-]	PC-id_163800562	131.069	NEOVJLMMKDRKIA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002012
NC(C1PC=C1)CO	PC-id_67606567,SCHEMBL8510686	131.113	KSYFPSSKJPAZEZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002013
NCC(C1PC=C1)O	SCHEMBL8510690,PC-id_67606569	131.113	MGNQFWVDVCBZRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002014
COC1=C([C@H](N1)CO)O	SCHEMBL13451771	131.13	VACHOTABWGTPPE-GSVOUGTGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002015
COC1=C(C(N1)CO)O	PC-id_89088864	131.13	VACHOTABWGTPPE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002016
CC1=C(N)S(=O)C1=O	PC-id_142311294	131.153	AYIXLYZTTFEXFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002017
CS(=O)(=O)C1=NC=C1	PC-id_118295333,SCHEMBL16992658	131.153	HBQDIJGYJLUEOB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002018
C=CC=CC1=C(CC1)C#N	PC-id_88303864,SCHEMBL8461489	131.174	BZXAJMLFONSBCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002019
ClC1=CC(=N1)C(=O)O	PC-id_22743617	131.517	QYYJWHHYAMIOGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002020
ClC1=CN=C1C(=O)O	PC-id_69883648	131.517	LJAFOPPLXWCPCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002021
ClC1=C(N)C(=O)C1=O	PC-id_13418073	131.517	OKLFJTZOCDCXOD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002022
CC1C=C(S1(=O)=O)C	PC-id_154327123	132.025	ZIHHCPCEJSUIAJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002023
CCC1C=CS1(=O)=O	PC-id_153845990	132.025	KDXGXVLMBGNGOI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002024
CC1=C(C[C@H]1OC)Cl	PC-id_163762852	132.034	LZRVJYKQMUVILF-ZCFIWIBFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002025
[B]C=C1C(=C(C1=O)C=C)O	PC-id_89910014,PC-id_162058320	132.038	AWODWQVQUSQYHT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002026
C1(=C(C(=O)C1=O)OF)O	PC-id_91187613	132.047	IYMHZBBJKUGZAH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002027
CC1(C(=CC1(C)F)F)C	PC-id_147516229	132.075	FKGYCORLHLNHPG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002028
C(#N)C1=C(C(=O)C1=O)C#N	PC-id_91884024	132.076	VLBVMCRMVBGVNW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002029
CCC=CC=CC1=CC=C1	PC-id_153829467	132.094	ZUACIKRSCKBYIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002030
POC1=CC(O)(C1)C	PC-id_59486119	132.098	KQXNNLKQCJEBMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002031
FC1(F)C(=C(C1=O)C)C	PC-id_21731270	132.108	YYEDGZGEBXSSLX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002032
OC1=C(O)C(=C1S)O	PC-id_140237583	132.138	GUBCHEVCSGKRQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002033
C1C=[N+](C1SN=O)[O-]	SCHEMBL10966540,PC-id_88699709	132.141	GTVRWNXGQRMECE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002034
O=C1CC(=N1)S(=O)N	SCHEMBL8470118,PC-id_23212894	132.141	SNAVJGZGNRJFTF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002035
FC(F)C1=C(CC1C)C	PC-id_60107906	132.151	YPSNQTBXTCISEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002036
CC(C1=NC=C1)C1=NC=C1	PC-id_70522734,SCHEMBL11133489	132.163	UNCWHGRAXUKGJL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002037
CC1(C)C=CS1(=O)=O	LI_217406,NSC140144,ZINC22_1725419,PC-id_284333,CoCoCo_5472994	132.181	QHVXKDLRVSYBIX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002038
CS(=O)(=O)C1=CCC1	SCHEMBL11233670,PC-id_20520741	132.181	IKRMWBFPSPNWOU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002039
S(OC1=C(O)CC1)C	PC-id_23587676	132.181	LZTQDEXSYHAXLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002040
ClC1=C(O)C(=O)C1=O	PC-id_13333604	132.502	QVBMDTAMWRGSGB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002041
C1CC(=C1)C(=O)OCl	PC-id_88109947,SCHEMBL7193299	132.545	IONOJELBAXJPCS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002042
C1[C@@H](C=C1C(=O)O)Cl	PC-id_134533701,SCHEMBL20179544	132.545	HBWSEZZMWFAJPE-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002043
ClC1C(C=C1)C(=O)O	PC-id_76225899	132.545	NNEKRCAUOSRMKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002044
Cl[C@@H]1[C@@H](C=C1)C(=O)O	PC-id_55302531	132.545	NNEKRCAUOSRMKN-DMTCNVIQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002045
Cl[C@H]1[C@@H](C=C1)C(=O)O	PC-id_55302532	132.545	NNEKRCAUOSRMKN-QWWZWVQMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002046
OC(=O)C1=C(Cl)CC1	EMOLS-id_316287664,ZINC22_1772715783,MCULE-2071137072	132.545	ODHAMWGIQHTSHT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002047
OC(=O)[C@H]1C=C[C@@H]1Cl	PC-id_102343433	132.545	NNEKRCAUOSRMKN-IMJSIDKUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002048
OC(=O)[C@H]1C=C[C@H]1Cl	PC-id_102343437	132.545	NNEKRCAUOSRMKN-IUYQGCFVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002049
BrC1=CCC1	EMOLS-id_320405797	132.987	UEGVPEVUDLXNEV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002050
BrC1CC=C1	SCHEMBL18316527,PC-id_88197234	132.987	CNPIZOJLJGNKAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002051
C1C=CC1S(=O)(=O)[O-]	PC-id_154075931	132.996	YIFZKBKAQVTUOY-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-002052
C=C=NC(C=N)C1=C=NC1	PC-id_154523112	133.064	GDRPZERUBPDYBB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002053
FC1(F)CC(=C1F)C#N	PC-id_548589	133.071	GEMPWITVWSQSGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002054
CC=NC/C=CC1=CC=C1	PC-id_163838326	133.089	OJSNIVAYTZDIOL-AORMWYOUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002055
CNC1=CC(=O)C1(F)F	LI_217635,NSC146429,CoCoCo_5479888,PC-id_287040	133.096	NXJNLNJJESKBEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002056
CCC(C1=C(NC1)F)F	PC-id_138502254	133.139	RIXVTPBWDPAODT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002057
CC[C@H](C1=C(NC1)F)F	SCHEMBL20852104	133.139	RIXVTPBWDPAODT-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002058
S(=O)(O)C1=CC(N)C1	PC-id_57223983	133.169	YCUCMMATMQWILY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002059
C=C1C(=C)C=C1NC1CC1	PC-id_143280332	133.19	ZPUXYAWSOLNKGT-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002060
CC=CC=CC1=NC(=C1)C	PC-id_89689193	133.19	CFYKUDMHLFSMEJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002061
C/C=CC=C/C1=NC(=C1)C	SCHEMBL15109456	133.19	CFYKUDMHLFSMEJ-OUPQRBNQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002062
CC/C=CC(=C)C1=NC=C1	PC-id_144660266	133.19	NPZVIMHJYRDJSY-PLNGDYQASA-N	00001100000000000000000000000000000000000000000000000000	06-01-002063
C/C(=CC=C/C)/C1=NC=C1	PC-id_145585768	133.19	XRKZUJNSTSJMAI-HMRFFJRGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002064
C/C(=C/N=C)/C=C/1CC=C1	PC-id_143713099	133.19	WCHUFYGYBNAMHB-QOCNPQIPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002065
B/C=C/1C(=C(C1=O)C=C)O	SCHEMBL15395220	133.94	OLFPTQLWGSTVBA-HWKANZROSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002066
BrC1=CNC1	PC-id_141557846	133.975	SKWSISGBRSRFEJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002067
C1C(C=N1)S(=O)(=O)N	PC-id_163985902	134.015	TWHPWSDQDVVZGZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002068
C1CC(=C1)P(=O)(O)O	PC-id_87506114,SCHEMBL3291875	134.07	VCTZAMNOYKKWNL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002069
O(C1=CC(=C1)OC#N)C#N	PC-id_85831798	134.092	PBUORDVYEFOQQE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002070
O=C1N(C=C1N=C=O)C#C	PC-id_45079199,SCHEMBL3050649	134.092	WLHKIMWTGKNKAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002071
O=C1N(C(=C1)N=C=O)C#C	SCHEMBL3063352,PC-id_45079198	134.092	IVJAPMCTVMIXKX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002072
O=C=NC1=CC(=C1)N=C=O	PC-id_85831796	134.092	RIZODEOLOPVZPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002073
C1CC(=C1)C(=C(F)F)F	PC-id_87961377,SCHEMBL6234310	134.099	PDSCTYSZASDYRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002074
FC1(F)CC(=C1F)C=C	PC-id_640496	134.099	ZGGMSGVUAHZKPG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002075
FC(C1=CC(=C1)C)(F)F	PC-id_138654878,SCHEMBL21023675	134.099	OPKYTPQZCVCRMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002076
FC(C1=CC=C1C)(F)F	SCHEMBL18266450	134.099	PDNBLAHUJANFSP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002077
C1=CC(=C1)OOC1=CC=C1	PC-id_88225307,SCHEMBL7939037	134.132	PDUIHLKVHOTAJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002078
[O-]C1=C(C(=O)[C+]1C=C)C=C	PC-id_60085873	134.132	ZPDPCOQEJMNLGJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002079
OC1C(O)C(=C1C#C)C#C	PC-id_73818551	134.132	XXJVPOJPYYNMCJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002080
O[C@H]1[C@@H](O)C(=C1C#C)C#C	PC-id_21638256	134.132	XXJVPOJPYYNMCJ-OCAPTIKFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002081
OS(=O)(=O)C1CC=C1	SCHEMBL151341,PC-id_23112985	134.154	YIFZKBKAQVTUOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002082
OS(=O)(=O)C1=CCC1	SCHEMBL329212	134.154	PJGBAOKHZMYBPQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002083
S1(=O)(=O)CC(=C1)OC	PC-id_12333711	134.154	MYCHVGBXAFYXCZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002084
O=C(C1=CCC1)C1=CCC1	SCHEMBL2597101,PC-id_19785705	134.175	CGJFFYBVLRYBKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002085
C1C=C=C1C(CC#N)CN	SCHEMBL19943675,PC-id_134321926	134.178	CWIFATHOVUWSSC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002086
C1(=CCC1=C)CC=C(C)C	PC-id_13214156	134.218	YYSFAMKGQUCTJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002087
C1(C(C=C1)C(=C)C)C(=C)C	PC-id_23443823	134.218	MJUVHWFDLUMZIF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002088
C1CC(=C2CCC32CC3)C1	PC-id_102391251	134.218	BTTGMEWHMKSOKN-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002089
C1(=C(C(=C)C1=C)CC)CC	PC-id_14291124	134.218	VAAMYQDRLNMUQD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002090
C1(=C(C)C)C(=C(C)C)C=C1	PC-id_584248	134.218	LMXNGRVEELAHNA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002091
C(CC1=CCC1)C1=CCC1	PC-id_85940845	134.218	VCLZODXSOCONBX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002092
C(/C=C
/C(=C)C=C1)(C)(C)C	PC-id_24975488	134.218	WPXUZPLMWIUQKE-VQHVLOKHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002093
C(C=C1C(=C)C=C1)(C)(C)C	PC-id_74377684	134.218	WPXUZPLMWIUQKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002094
CC(C1=C(C)C(=C)C1=C)C	PC-id_143280217	134.218	YQTSVUFRDARSPE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002095
CCC1=C(C)/C(=CC)/C1=C	PC-id_143346120	134.218	GVEFDIULFKWKKH-UITAMQMPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002096
CC=CC=CC1(CC=C1)C	PC-id_91469850	134.218	OTXKOZHOTOGRHF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002097
CCC=C(C)CC1=CC=C1	PC-id_91349525	134.218	UDUIAVRGIVJHQK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002098
FC1=C(Cl)C(=O)C1=O	PC-id_101985125	134.493	CSKQEYZQUBUHTI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002099
BrC1OC=C1	PC-id_140659956	134.959	IXYRSAGWZDIZGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002100
CC1=CC2C13CCC3N2C	PC-id_163542365	135.105	FCEUWYWCGMNULE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002101
CC1=C(C([C+]1C)(F)F)F	PC-id_85872379	135.107	DLVPVOKCWYJQOK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002102
COC1=NC(C1)(F)CF	PC-id_122541927,SCHEMBL18078488	135.112	ONJISOURXISDFN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002103
[O-]C1=C(C(=O)/C/1=C/C)C=C	PC-id_23558502	135.14	UNLISOYFWAFYCD-GQCTYLIASA-M	00001100000000000000000000000000000000000000000000000000	06-01-002104
OC1=C(C(=O)[C+]1C=C)C=C	PC-id_60085874	135.14	ZPDPCOQEJMNLGJ-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-002105
[O-]C1=C(C(=O)C1C=C)C=C	PC-id_60103393	135.14	HMWSUQGYLLHDSX-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-002106
C(C#C)NC(=O)C1=CCC1	EMOLS-id_96423455	135.163	ZWEHSMDNRHQZPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002107
CC1C(=C)N1C[N+]1=CC=C1	PC-id_90945866	135.186	RSVUPKWJGLEFIJ-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002108
C(=CC1CC1)NC1CC=C1	PC-id_138660241,SCHEMBL21029668	135.206	UTOIFIQZGKJTID-SREVYHEPSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002109
C#CNC1=C(C(C1C)C)C	PC-id_143715817	135.206	JWGIYXBCQWAJRL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002110
O=C1C(=C(N[B])C1=O)NC	PC-id_58917008	135.916	UIRZPVRZYWDYRF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002111
OP(=O)(C1OC=C1)O	SCHEMBL17818210,PC-id_121392862	136.043	UCCYHLAQPMNMKK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002112
C1CC(=C1)CC(F)(F)F	PC-id_154503140	136.05	WNIZZQREBRTPPJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002113
O=C=C1C(=O)C(=C=O)C1=O	PC-id_101692719	136.062	AWDKMDJWKLFLLF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002114
[O-]C1=C([O-])C(=O)C1=NC#N	PC-id_58915120	136.065	YLBUMDUSLDBPRI-UHFFFAOYSA-L	00000100000000000000000000000000000000000000000000000000	06-01-002115
FC(C1(O)CC#C1)(F)F	SCHEMBL19512264	136.072	ZSXRBSPCLLKNSR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002116
CC(C)C=CC1=CCC1=O	PC-id_154211564	136.089	PFMFMNCDLXDFFL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002117
O=C=NC1CC(=C1)N=C=O	PC-id_18551873,SCHEMBL374829	136.108	FSFXHGSHXLZVSA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002118
O=C=NC1=C(CC1)N=C=O	SCHEMBL10679809,PC-id_57177712	136.108	MYDXBSWQMSLXPS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002119
[N-]=[N+]=N[C@H]1C=C[C@@H]1N=[N+]=[N-]	PC-id_101095339	136.115	GTJFLJZZGQKSJU-IMJSIDKUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002120
CC1C=CC1CCCC=C	PC-id_154098714	136.125	NROXAAFUCSKGJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002121
CCCC=CC1C=CC1C	PC-id_154105885	136.125	ZUBPUQBLRIVLBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002122
CCCC=CC1=C(CC1)C	PC-id_154353703	136.125	PMYMATIUJWRDHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002123
C=CCCCCC1CC=C1	PC-id_154085890	136.125	XRJCLHCRDOEHGF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002124
CCCCCCC1=CC=C1	PC-id_154288871	136.125	NDCCFYHHRAQRQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002125
CCCCC=CC1=CCC1	PC-id_154386297	136.125	XEUSHNAHSBCLKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002126
FS(=O)(=O)C1CC=C1	PC-id_139363284,SCHEMBL21214995	136.145	CXBNBMQNRBHILB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002127
CC[C+]1C(=C(C1=O)C=C)[O-]	PC-id_136446953	136.148	MNBZTLSKSWZKII-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002128
C/C=C
/C(=C(C1=O)C=C)O	SCHEMBL101308	136.148	UNLISOYFWAFYCD-XQRVVYSFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002129
CC=C1C(=C(C1=O)C=C)O	SCHEMBL14421180,PC-id_87066383	136.148	UNLISOYFWAFYCD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002130
CCC1=C(C(=C=C)C1=O)O	SCHEMBL13497237,PC-id_89102349	136.148	JRKYRIRSTFRYSN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002131
C(C#C)OC(=O)C1=CCC1	EMOLS-id_265093185	136.148	JDLUDDKHMBCJMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002132
C=CCOC(=O)C1=CC=C1	PC-id_140293204	136.148	SDKXDRJNEWNBQR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002133
O=C1CC(=C1)C(=O)/C=C/C	PC-id_10419234	136.148	BXLNGAYEULZHKH-NSCUHMNNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002134
O=C1CC(=C1)C(=O)C=CC	PC-id_85138419	136.148	BXLNGAYEULZHKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002135
OC1(C(=C(C1=O)C)C)C#C	PC-id_14813452	136.148	HLAOHPUHYZHKIU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002136
OC1=C(C(=O)/C/1=C/C)C=C	PC-id_23558503	136.148	UNLISOYFWAFYCD-GQCTYLIASA-N	00001100000000000000000000000000000000000000000000000000	06-01-002137
OC1=C(C(=O)C1C=C)C=C	PC-id_60103394	136.148	HMWSUQGYLLHDSX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002138
OC(=O)[C@@H]1C=C[C@H]1CC#C	PC-id_102201647	136.148	XRNPOJAFYNQANZ-RNFRBKRXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002139
C=CC1C#CC1(C(=O)N)N	PC-id_89193687	136.151	KFFZQNNAJXOPSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002140
C=C[C@@H]1C#C[C@]1(N)C(=O)N	SCHEMBL13885357	136.151	KFFZQNNAJXOPSS-IYSWYEEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002141
C(C#N)NC(=O)C1=CCC1	EMOLS-id_96423715	136.151	ZTVQLXXEWCUSRY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002142
O(C(=N)C1=C(CC1)C#N)C	PC-id_21677929	136.151	NBEBHSIKVMUDNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002143
O=C(NCC=C)C1=NC=C1	PC-id_57230834	136.151	GEZOKNKNENDEQF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002144
C=C1C=C(C1=O)C(C)(C)C	PC-id_58222483,SCHEMBL6899452	136.191	ANHSSRLFXNNUKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002145
C#CC1=C(C(C1C)C)OC	PC-id_143715662	136.191	MITWVABCNNEINX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002146
CC(C1=C(C)C(=C)C1=O)C	PC-id_59379727,SCHEMBL13239929	136.191	BHWHLFSPBQGPJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002147
CC(=C)C1C=CC1C(=O)C	PC-id_143914994	136.191	OSDBULALLNXBTG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002148
CCC#CC1(C)OC=C1C	PC-id_117730866,SCHEMBL16281835	136.191	CUSRSEXWYYQZTD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002149
O=C1C(C=C1C(=C)C)(C)C	PC-id_12840240	136.191	QHVDSNYEJAAXPP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002150
C1C=C(C1=CC=CN)CN	PC-id_90161831	136.194	JDJWRUQVPQLECF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002151
C1CC(=C1)C(CC#N)CN	SCHEMBL19943575,PC-id_134321831	136.194	XHSRPWXSAGYJGH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002152
CCNC1=C(N)C(=C)C1=C	PC-id_143342258	136.194	QUTDZXHFBHPMCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002153
N/C=CC=C
/CC=C1CN	SCHEMBL15723375	136.194	JDJWRUQVPQLECF-HRRFYUOKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002154
S(OC1=C(O[3H])CC1)C[3H]	PC-id_60054567	136.197	LZTQDEXSYHAXLZ-GVGPMSKPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002155
C1(=CCC1)CCC=C(C)C	PC-id_13347165	136.234	NSTOZXFQBFMZAT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002156
C1(CC(=C1)CC)C(=C)CC	PC-id_13949252	136.234	QTRRNMRRNMDAGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002157
C1(CC(=C1)C(C)C)C(=C)C	PC-id_13949253	136.234	NSBQCNMCMBKTLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002158
C1(CC(=C1)C)C(=C)C(C)C	PC-id_13949257	136.234	XBNXOYZTNGHVIF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002159
C1(C(=C(C1=CC)C)C)CC	PC-id_86109560	136.234	HJMXDMGZBYGNCQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002160
C1(C(=C(C1=C)C)CC)CC	PC-id_86120803	136.234	JNWJOXULFKSOKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002161
CCC1=C(CC1)CC(=C)C	PC-id_143714583	136.234	GZJOPKSSZVAYOR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002162
CCC[C+]1C[C-]=C1CCC	PC-id_101188619	136.234	DRFFAWIKFFCCMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002163
CC/C=C/1CC(=C1CC)C	PC-id_134903071	136.234	COBCCZZJGGJKLH-RMKNXTFCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002164
CC/C=C/1CC(=C1C)CC	PC-id_134903075	136.234	MBEVSMNVHSLKJX-UXBLZVDNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002165
C/C=CC1=C(C(C1C)C)C	PC-id_143715797	136.234	YUGZQJYCMBJRGE-WAYWQWQTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002166
CCC(C)CC1=C(C=C1)C	PC-id_91180557	136.234	LCXWDDBOXCNLMA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002167
C=CCCCCC1=CCC1	PC-id_100920149	136.234	WAIMVJDAHQQBPE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002168
CCC(CC)CC1=CC=C1	PC-id_91362826	136.234	KGULPXFKYPFYFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002169
ClC1C(=O)C(=C1)Cl	PC-id_44154737	136.964	WGFRWHHSQVNMTG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002170
C1=CN=C1OC(F)(F)F	PC-id_150045822	137.009	DKGHGDHZYBERGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002171
CC(=O)C1=CCC1C[Si]	PC-id_154721846	137.042	QVHKEZUSKLKBEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002172
C1C=CC1C=C=C[N+](=O)[O-]	PC-id_163942057	137.048	RRWAOTVDPSWRCK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002173
C=CC1=C(N=C1)C(=NO)N	PC-id_153880634	137.059	YTDRADZZOHTOCQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002174
C[C@@H]1C(CO1)NC1=CC=C1	PC-id_163934152	137.084	RLFXGYUPXFYNIG-XPJFZRNWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002175
CN1CC=C1C(F)(F)F	SCHEMBL14143893,PC-id_89259183	137.103	XNJREZPLHUGMKQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002176
CN1C=CC1C(F)(F)F	SCHEMBL18864845	137.103	RPGWXZZEFBNDHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002177
C1CC(=C1)CCCCC=N	PC-id_164175186	137.12	ZYXBAECBKVSOAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002178
CC1=C(CC1)C(=C)CCN	PC-id_163975910	137.12	SUCHEHGXNAQHQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002179
CC(=CCC1=C[C@@H](C1)N)C	PC-id_164009378	137.12	UPUIIIXZKNBXTB-VIFPVBQESA-N	00001100000000000000000000000000000000000000000000000000	06-01-002180
CC/C=C([C@H]1C=CC1C)/N	PC-id_163851574	137.12	OUUNZFJJTMVKQQ-NJOYLGGBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002181
CC(=C)C1=CN=C1C(=O)O	SCHEMBL14735594,PC-id_89420412	137.136	PEOQFURTXBLCGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002182
C(C#N)OC(=O)C1=CCC1	EMOLS-id_265093867	137.136	BDBWFMCHHUSMNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002183
CC(=O)OC1=C(CC1)C#N	PC-id_88337884,SCHEMBL8644139	137.136	ABLPBEFUAGUQOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002184
COC(=O)C1CC(=C1)C#N	EMOLS-id_337903377	137.136	WYMFDZRLKAFXGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002185
O=C1C(=CC1=O)NC1CC1	PC-id_143280197	137.136	UBKRCNVQPPKIFH-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-002186
CCC1=C([C+](C1=O)C=C)O	PC-id_136446954	137.156	MNBZTLSKSWZKII-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-002187
OC1=C(C([O-])C1=CC)C=C	PC-id_57623210	137.156	BJZKOOPAMOPRJV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002188
CC1=C(CC1)C(=O)NC=C	SCHEMBL12956142,PC-id_88987427	137.179	JNTZSMVMZJKISB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002189
CCC1=C(N=C1C=O)CC	PC-id_90902137	137.179	NWIDMHVTWPJZGQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002190
CC(C1=C(N)C(=C)C1=O)C	PC-id_90365580,SCHEMBL15982098	137.179	QRYMADRKSSFUKT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002191
CCCC1=NC=C1CC=O	PC-id_144209926	137.179	SKQLFDWTXWHOPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002192
CCCCC1=C(N=C1)C=O	PC-id_142799896	137.179	KHTMZIFOPWBIRZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002193
C=CCNC(=O)C1=CCC1	EMOLS-id_96351299	137.179	XZBKEUNDWQVARF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002194
O(C1=C(CC1(C)C)C#N)C	PC-id_85661747	137.179	ZOHKYTDBQGSSPR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002195
O=C(C1=CCC1)NC1CC1	EMOLS-id_96423958	137.179	RSECCNKCBZEVSB-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002196
CC1=C(C(C1)(C)N=[N+]=[N-])C	PC-id_134855854	137.182	VTMSNEVCJQHXGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002197
CCCC1=C(N)C(=N)C1=N	PC-id_59755454,SCHEMBL12432557	137.182	SQTKJSIPPZXBIT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002198
S(C1=C(CC1=C)C)C#N	PC-id_10796797	137.202	FGASTACRAFNWQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002199
S(C1=C(CC1=C)C#N)C	PC-id_14917613	137.202	RGSZUNFEYZSXBR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002200
S(/C=C
/CC=C1C)C#N	PC-id_10606801	137.202	WAUBICQTPILHAO-DAXSKMNVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002201
S(/C=C/1CC=C1C)C#N	PC-id_10630550	137.202	WAUBICQTPILHAO-QPJJXVBHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002202
S(C=C1CC=C1C)C#N	PC-id_85203901	137.202	WAUBICQTPILHAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002203
S=C=NC1=C(CC1=C)C	PC-id_10678299	137.202	FOEODUKWSKIKCU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002204
CCCC(=N)C1CC=C1C	SCHEMBL16313552,PC-id_117755354	137.222	SGAZDYUXZUDCOU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002205
CC=NC1=C(C(C1C)C)C	PC-id_143715716	137.222	ONCOTDGLECHLMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002206
C=CNC1=C(C(C1C)C)C	PC-id_143715936	137.222	DPZYCVCYAVRYAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002207
CNC1=CC(=C)C1(C)CC	PC-id_143344020	137.222	NAJHJGQTYHXNDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002208
CNC1=C(C)C(=C)C1(C)C	PC-id_143346247	137.222	GVMGUYHAZPJNMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002209
CNC=C1CC(=C1C)CC	SCHEMBL18544819	137.222	YZEHGVNXHLJTGJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002210
N1=C(C(=C1CC)CC)CC	PC-id_57185997	137.222	UDWQJDUBTLFEHD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002211
N1=C(CCCCCC)C=C1	PC-id_57244791	137.222	QNRFPWWPBSWZML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002212
N(C1(C(=C(C1=C)C)C)C)C	PC-id_55288132	137.222	QUPNMSRXYNMTDC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002213
CCCC1=C(C[CH+]1)CCC	PC-id_101188620	137.242	XDZLCROBAJGSIN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002214
CNC1=C(C(=O)C1=O)NB	SCHEMBL12569505	137.932	RBJDOZBJGKJKHN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002215
ClC1=C(C(=O)N1)Cl	PC-id_145536960	137.952	AMTZUEUNAHNETI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002216
CC1=NCC1(Cl)Cl	PC-id_134924769	137.995	RWZNZSQIYUUULM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002217
C[Si]OC1=C(CC1)O[Si]C	PC-id_89678000	170.313	XRMVSLINBLNUIN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003917
CC=NC1=C(C(=O)C1=O)N	PC-id_163764301	138.043	MAXJTJDEZFTWID-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002218
FC1=C(O)C(C1=O)(F)F	PC-id_119095800	138.045	KLGODGICLRZNGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002219
ClC1C(Cl)[Si]=C1	PC-id_70271331	138.047	WAHVRCKOQULIQI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002220
ClC1(Cl)[Si]=CC1	PC-id_86039421	138.047	YVHWIDMSQFBFSG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002221
Cl[Si]1CC=C1Cl	PC-id_53890686	138.047	IYECAEZUBUBHBS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002222
CC(C)C1=C(C(=O)C1=C)O	PC-id_161555265	138.068	CTUZUGZLYBWTQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002223
C1=NC(=C1CCCN)C=O	PC-id_154699390	138.079	BOQIRQNCTIORKM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002224
CCC1=C(C(=N)C1=N)OC	PC-id_163622368	138.079	HPFBYXMNJMRMQT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002225
CNC1=C(C(=O)C1=C)NC	PC-id_155054597	138.079	UWXJTRQZPOCHIM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002226
N#C/N=C
/C(=C(C1=O)O)O	SCHEMBL14470870	138.081	YLBUMDUSLDBPRI-UQCOIBPSSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002227
N#C/N=C/1C(=C(C1=O)O)O	SCHEMBL2762409	138.081	YLBUMDUSLDBPRI-FARCUNLSSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002228
OC1=C(NC#N)C(=O)C1=O	PC-id_58915121	138.081	BADBTHGWGFOEDX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002229
[N-]=[N+]=NC1=C(N)C(=O)C1=O	PC-id_142659169	138.084	PLXOQAVGDZLAAE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002230
FC1(F)CC(=C1OC)F	PC-id_21731268	138.088	ZSAYPTGAISGHSV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002231
FC1(F)C(OC)C=C1F	PC-id_21731914	138.088	SARHKAWEQVPWRV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002232
FC(F)(F)C1=C(O)CC1	PC-id_86045687	138.088	OOCHOYYKAFZPGI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002233
CC1CC(=C1C)CC(=O)C	PC-id_153370407	138.104	UPNOEIQIIORFMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002234
CC1(C=CC1C=COC)C	PC-id_154221250	138.104	MGLYSPNDKFQNAZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002235
CC1=C(C(=O)C1)C(C)(C)C	PC-id_153333422	138.104	DNXUWRYVMCCMTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002236
C1CC1NC1(CC=C1)CN	PC-id_164149859	138.116	ZDSJKDNCTCWQRO-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002237
C1=CC(C1=O)(C#CCO)O	PC-id_88479114,SCHEMBL9548028	138.121	CLTOJNSFTRDXJZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002238
C=CC1=C(C(=O)C1=O)OC	SCHEMBL19165992,PC-id_10796800	138.121	OCKUUOZMOQDCCE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002239
C=CCC1=C(C(=O)C1=O)O	PC-id_88441139,SCHEMBL9288848	138.121	WLEPAABIIMBQHP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002240
O(C1=CC(=O)C1=O)CC=C	PC-id_71393240	138.121	PLOTWSPPRDFDDC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002241
C1CC(=O)N1OC1=CC=N1	PC-id_20296644,SCHEMBL11400350	138.124	YUYFVTSXOGMZCC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002242
C1C(NC1=O)OC1=NC=C1	PC-id_57124575,SCHEMBL11400353	138.124	QYLBBFCWXQYVFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002243
C(=C
/C(=C/O)/C(=N)C1=N)/O	PC-id_136203073	138.124	NVTBLTNVLFNYJQ-FRHFBHPRSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002244
C(=C1C(=N)C(=CO)C1=N)O	PC-id_136203072	138.124	CNPMCNXMXAORGL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002245
O=CC1=C(C(=C1N)N)C=O	PC-id_55288688	138.124	IQCPOJKDVTVXIF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002246
O=CC1=C(N)C(=C1N)C=O	PC-id_55288686	138.124	LHCIBXNCTSESJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002247
C=CC1=C(C(=O)C1)C(=C)F	PC-id_145005639	138.139	GZYZDSHINUFYRF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002248
[Si](F)(F)(F)C1CC=C1	PC-id_85832397	138.163	CUVAVVZBLQPLTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002249
C1CC(=C1)C(=O)OC1CC1	PC-id_88105786,SCHEMBL7174485	138.164	HXMWNDDJBPASTL-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002250
C1(=CC(=O)C1=O)C(C)(C)C	TIMTEC52091,ZINC22_2028684,PC-id_1714297,MCULE-9485015571,SPECS-id_AN-967/25120007,EMOLS-id_13735659,SCHEMBL6898693	138.164	VFHJARAFNGZNKQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002251
CC(C1=C(C)C(=O)C1=O)C	SCHEMBL12668991,PC-id_21336417	138.164	NDZJQNMCTLBHFT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002252
CC=C1C(O)C(=C1O)C=C	SCHEMBL13909374,PC-id_57623211	138.164	MFAOXDHJHPYOBR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002253
CC(C1=C(O)C(=C)C1=O)C	SCHEMBL841001,PC-id_58130154	138.164	VMPIZZFQOBECAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002254
CC(=C)C1C(=CC1=O)OC	PC-id_134894905	138.164	OKHBFZYKQRGKBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002255
CC(=C)C(=O)OC1=CCC1	SCHEMBL5438211	138.164	BSCXNEGJNROTPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002256
C=CCC(=O)OC1=CCC1	SCHEMBL876154,PC-id_87170496	138.164	KMOUWMMSZGGRLV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002257
C=CCOC(=O)C1=CCC1	SCHEMBL461106,PC-id_87110894	138.164	CSHXVGGYSHTSMA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002258
CC(=O)C1=C(C(=O)C)CC1	PC-id_4227617,MCULE-5554722605,ZINC22_4530163	138.164	ITNAVFMGDDAIHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002259
CCOC(=O)C1=CC(=C1)C	PC-id_91405350	138.164	QRFWHHNTQDBXCT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002260
C=COC(=O)CC1=CCC1	SCHEMBL2052308	138.164	IACDSHSFADTSPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002261
CC(=O)OC1=C(CC1)C=C	PC-id_89051135,SCHEMBL13274448	138.164	LEKYUDCASULMMD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002262
O(C1C(=C(C1=O)C)C=C)C	PC-id_10796808	138.164	DQGVHUGRKXXVBL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002263
O=C1C(=CC1=O)CCCC	PC-id_14140298	138.164	BIKFZZNOPIRBIC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002264
O=C1C(=C(CC)C1=O)CC	PC-id_10103234	138.164	SCFSKTBJTQBTMC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002265
O([C@@]1([C@](O)(C=C1)C#C)C)C	PC-id_10374521	138.164	DDNFPJVEJTVAPO-JGVFFNPUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002266
O(C1(C(O)(C=C1)C#C)C)C	PC-id_85125730	138.164	DDNFPJVEJTVAPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002267
O=C(C1CC1)OC1=CCC1	SCHEMBL5084952	138.164	GCSOMCDZMADPSK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002268
OC(C1(C)C2C31C2=CC3)O	SCHEMBL18908993	138.164	JTHAZICCMZACGJ-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002269
O=C(C1C(C=C1)C(=O)C)C	PC-id_75089082	138.164	KLGOTYNIPROYRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002270
O=C(C(C)C)C1=CC(=O)C1	PC-id_10057566	138.164	ZQPFARHVRCNSAV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002271
O=C([C@H]1[C@H](C=C1)C(=O)C)C	PC-id_45085524	138.164	KLGOTYNIPROYRJ-OCAPTIKFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002272
OC(=O)C1C(C=C1)CC=C	PC-id_78152431	138.164	FYFQPABKRUDPJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002273
OC(=O)C1=C(CC1)CC=C	SCHEMBL5137035	138.164	GDDVDUPIFPLRQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002274
OC(=O)[C@H]1[C@@H](C=C1)CC=C	PC-id_71697380	138.164	FYFQPABKRUDPJO-RNFRBKRXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002275
CC(=O)NC1=CC(=NC)C1	PC-id_137104029	138.167	YWLFWRZSTFSYHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002276
CNC1=C=C(C1)NC(=O)C	SCHEMBL17780196	138.167	BOCAVQBARCXUKK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002277
OCC1(CC(=C1N)C#N)C	PC-id_24749871	138.167	FRQYCWDQYXUFAD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002278
O=C(N1CCC1)C1NC=C1	PC-id_68919625	138.167	GNPMDQUVLRASBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002279
CC(C1CC#C1)OCCC	SCHEMBL12694248,PC-id_88950549	138.207	SKANFFVFXZZLBD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002280
CCC1=C(C)C(=O)C1(C)C	SCHEMBL13209242,PC-id_58717180	138.207	QWQGPOXLQRCEMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002281
CCCC1C=CC1OC=C	PC-id_91590286	138.207	CFSKEYNSYUAILW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002282
CCCCC(=O)C1=CCC1	SCHEMBL9069686,PC-id_88408978	138.207	LHRZNXSWXNQYSO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002283
O=C1CC(=C1)CCCCC	PC-id_11126330	138.207	BUOKGOYEMXDSQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002284
O=C1C(C(=C1)C(C)(C)C)C	PC-id_13382759	138.207	CFBWGRSHHPNJNZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002285
O=C1CC(=C1C)CCCC	PC-id_13840287	138.207	CIVQSFPLPZXNOC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002286
O=C1C(C(=C1)CCCC)C	PC-id_13840288	138.207	UWONFGYNORYUTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002287
O=C1C(=CC1)CCCCC	PC-id_14060256	138.207	BJSNIHLNBJIKLG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002288
O=C(C1=C(C(C1)(C)C)C)C	PC-id_15074440	138.207	ALYPCDCBCMRXHF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002289
O=C(C1=CC(C1(C)C)C)C	PC-id_85929424	138.207	UFFJZAFPSPAOSQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002290
O=C(C1=CC(C1C)(C)C)C	PC-id_85929425	138.207	UHPABGRKLLRUBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002291
O(C(=C)CC1=CCC1)CC	PC-id_13624176	138.207	LMNNZRQDCSCERX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002292
OCC(C=C)CC1CC=C1	PC-id_142040201	138.207	FFCCCJIIVRWURL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002293
O=C(C(C)(C)C)C1=CCC1	PC-id_57708285,SCHEMBL9004448	138.207	FWCRYZJFTBZGMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002294
CC1C(=C(C1(C)C)N)C=N	PC-id_89165639	138.21	CRNPRTKMMRQOFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002295
CC1C(C(=C1NC)N=C)C	PC-id_89263314,SCHEMBL14154809	138.21	ODWHRMKFFBNIAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002296
CCC1C(=C)C(=C1NC)N	PC-id_143341946	138.21	CLTWONQTRMJAFN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002297
C/C=CC1=C(CN1)N(C)C	PC-id_139363796,SCHEMBL21215563	138.21	XFBOWZKMPDWWGJ-PLNGDYQASA-N	00001100000000000000000000000000000000000000000000000000	06-01-002298
C/C=CC1=CC(N1)N(C)C	SCHEMBL19992398,PC-id_134364970	138.21	GZROMKDNEVVJDT-PLNGDYQASA-N	00001100000000000000000000000000000000000000000000000000	06-01-002299
C=CCCNC1CC(=C1)N	PC-id_87833076	138.21	AKAKDOCSYNZZPD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002300
CCCNC1=C(C=C1)NC	SCHEMBL10101992,PC-id_68035136	138.21	AYXSKPGFTBXJLB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002301
CCNCC1=C(C=C1)CN	PC-id_118562778,SCHEMBL17319431	138.21	ZJXHJISNBAIDIH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002302
CN=C1NC(=C1)C(C)(C)C	PC-id_144023150	138.21	XRDKUWPSPCVTIH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002303
N1=C(CC1(N=C(C)C)C)C	PC-id_57998757	138.21	MBMXARKOQRZJFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002304
C[N+](=C1C=C(C1(C)C)C)C	PC-id_101882166	138.23	LATXJLWDPHREIA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002305
C[N+](=C1C(=CC1(C)C)C)C	PC-id_122371193	138.23	HRKYZQKDTGTOST-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002306
C1(=C(CC1)CCC)CCC	PC-id_10630563	138.25	PEJOILLWOMQSPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002307
C1(CC=C1)(CCC)CCC	PC-id_10953594	138.25	RRAYASSWFVCAKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002308
C1(C(C(=C1C)C)(C)C)(C)C	PC-id_21059265	138.25	OPPDKRHIIDWPBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002309
C1(C(C=C1CC)(C)C)(C)C	PC-id_21428503	138.25	UEGJDWJZRVQMJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002310
C1(C(C=C1)CC)CCCC	PC-id_23378989	138.25	RZFLYIXKBQTNSC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002311
C1(=C(CC1)C(C)C)C(C)C	PC-id_57930449	138.25	JOLBMKLNTPOIFG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002312
C1(=CCC1)CCCCCC	PC-id_86205685	138.25	BBTZUCHGNFZHRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002313
C1(C(C(C)C)C=C1)C(C)C	PC-id_22507471	138.25	HOTNIJAXCXONCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002314
C1(C(CCC)C=C1)CCC	PC-id_22507473	138.25	RFFWDLBNMUEJPJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002315
C1(C(C)C)(C(C)C)CC=C1	PC-id_58451447	138.25	FTWLLZFXNWWKQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002316
C1(CCCCCC)CC=C1	PC-id_85954634	138.25	XNBIVLIOCYJQES-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002317
CC1C=C(C1C(C)(C)C)C	PC-id_91076770	138.25	RJCSCWNMXLHRRI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002318
CCC1=CC(C1)CC(C)C	PC-id_90843999	138.25	BQADGBWZVCCHSQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002319
CCC1=C(C(C1C)(C)C)C	PC-id_90959355	138.25	RMNRNBXIUBOOJJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002320
CCC1CC(=C1CC)CC	PC-id_91568627	138.25	ZWIZTISMCDOQFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002321
CC(C1(C)CC=C1)CCC	PC-id_143682535	138.25	DZMOUTRPCRTCRO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002322
CCC(C1C=CC1CC)C	PC-id_143025733	138.25	CPILBADDICYZBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002323
CCCCC1=CC(C1C)C	PC-id_141769575	138.25	BGZZOVNYNHIHQR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002324
CC(CCC1CC(=C1)C)C	PC-id_143717680	138.25	GSNJTFFIOVPWAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002325
CCCCC1=C([C@H](C1)C)C	PC-id_144709860	138.25	LDHCLGRFRZNFIX-QMMMGPOBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002326
CCC([C@@H]1CC=C1)(CC)C	PC-id_141785677	138.25	BSVURQBOHQYGLB-VIFPVBQESA-N	00001100000000000000000000000000000000000000000000000000	06-01-002327
CCC[C@H]1C=C[C@@H]1CCC	PC-id_102289756	138.25	RFFWDLBNMUEJPJ-UWVGGRQHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002328
CC[C@@H]1CC(=C1CC)CC	PC-id_141994890	138.25	ZWIZTISMCDOQFO-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002329
CC1=CC(=C1)[Si](C)(C)C	PC-id_134899507	138.282	LOUMNIGVWFZALX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002330
O=C1C(=CC1(F)F)Cl	PC-id_119095698	138.5	BVDFNVMIOGRKJE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002331
ClC1=C(C)CC1(F)F	PC-id_119096551	138.543	QILSVSISHOQZLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002332
ClC1=CS([O-])([O-])C1	PC-id_53425577	138.573	FLYKAWMOQCWMEY-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-002333
ClC1=CS(=O)(=O)C1	TIMTEC180665,CoCoCo_5604062,NSC331795,PC-id_332744,EMOLS-id_43217095,ZINC22_1575061,LI_220823,MCULE-3953418648	138.573	GVIPOINQUFIKHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002334
ClC1=CC(=P1)Cl	PC-id_139632278	138.92	HMUUWWSCUMNQJM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002335
C1C(=CN1C(F)(F)F)O	PC-id_153409495	139.024	FZDVVPSTIQZHPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002336
CCC1=C(C(=O)C1=O)N=O	PC-id_163847453	139.027	ORKFOUWRPROWRI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002337
ClC1[SiH]=CC1Cl	SCHEMBL8083431	139.055	LIFBXIRBUROTDH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002338
Cl[Si]1=C(CC1)Cl	SCHEMBL8083426,PC-id_22123670	139.055	UJFPODWPKKJHJE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002339
Cl[Si]1(Cl)CC=C1	PC-id_102154998	139.055	OPETXQUOZYAEKM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002340
CCCC1=C(C(=O)C1=O)N	PC-id_153771120	139.063	COYCOYYWDUZIGL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002341
CCNC1=C(C(=O)C1=C)O	PC-id_155208384	139.063	JACKTTFGTJUNKQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002342
CCC1=CCC1CCN=O	PC-id_163596738	139.1	GUBRNBIBJOTNFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002343
CC[C@@]1(C(C=N1)(C)C=O)C	PC-id_146887042	139.1	SXJDNSKLKMYFNK-BRFYHDHCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002344
CCC(C)C(=O)C1=CNC1	PC-id_153578154	139.1	PYUZMUYDCSBFQS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002345
CC(C)OC1[C@H](C=N1)C=C	PC-id_147035645	139.1	AYLHLAMQEZLOSZ-JAMMHHFISA-N	00001100000000000000000000000000000000000000000000000000	06-01-002346
OC1=CC(=O)N1C(=O)C=C	PC-id_86062902	139.109	XBLZDSZNTMZWLH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002347
OC(=O)OC1=C(CC1)C#N	PC-id_119097777	139.109	HFRBIBYEIINRJS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002348
CN(C)C1=C(NC1)NC=C	PC-id_163959778	139.111	SGLWKLQHDJBTGF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002349
NC(=O)C1=NC=C1C(=O)N	SCHEMBL9500650,PC-id_67862834	139.112	LTGNEOUVEQXDGP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002350
CC(OC1=C=C(C1=O)[O])C	PC-id_102059249	139.129	BEDAHCRHVJZVAJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002351
OC(=O)C1(SC#C1)C#N	SCHEMBL11522967,PC-id_21319006	139.132	LTCTWBZDYVWOEJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002352
CC(C)C1CC(=C1)C(C)N	PC-id_164078546	139.136	WVQUIPVOZWFNPH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002353
CC(C)CCC1(C=CN1)C	PC-id_163850093	139.136	OTQCGJLSCOSEKX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002354
CCCCN(C)C1CC=C1	PC-id_164149418	139.136	ZDIMRSGIFAJRNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002355
C[C@H]1C(C=C1N)C(C)(C)C	PC-id_163594836	139.136	GSODXYSLVMIJHU-PKPIPKONSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002356
CCC1=CN=C1CC(=O)O	PC-id_121377635,SCHEMBL17800273	139.152	KRQQAWKJRMAEGU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002357
CC(C1=CN=C1C(=O)O)C	SCHEMBL2920089,PC-id_17930209	139.152	KNPZNVXAPRGHCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002358
CC(C1=C(N)C(=O)C1=O)C	PC-id_89292544,SCHEMBL14280863	139.152	UVETXWBMPKFYDB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002359
CCC/C(=C/1C=NC1=O)/O	PC-id_136389687	139.152	ZFQFOFBJYAQIIJ-WAYWQWQTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002360
CCCC(=C1C=NC1=O)O	PC-id_136650947	139.152	ZFQFOFBJYAQIIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002361
CCCC(=O)C1=CNC1=O	SCHEMBL1033165,PC-id_66883710	139.152	SDKFCUNXMYAZEG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002362
CCCNC1=CC(=O)C1=O	SCHEMBL8519409,PC-id_17768421	139.152	AMBMEWLUHMOIBK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002363
CCNC1=C(C)C(=O)C1=O	PC-id_23564119,SCHEMBL8368736	139.152	MJXNAKNQWKLHNJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002364
CCOC=C1C=NC1C=O	PC-id_142770267	139.152	AXSSQYKSCCEQKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002365
CCOC(=O)CC1=NC=C1	PC-id_68009443,SCHEMBL10013050	139.152	IQLWNIPIXBMABT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002366
CC(=O)OCCC1=CC=N1	SCHEMBL10440828,PC-id_70367913	139.152	MUIXVZMXXMTMKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002367
CN(C1=C(C)C(=O)C1=O)C	PC-id_22952982,SCHEMBL12531402,SPECS-id_AS-970/QB06692	139.152	JSDISRNBCTZOBA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002368
O=C1C(=CC1=O)NC(C)C	PC-id_55300403	139.152	HXTRLNRNWFIRNG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002369
O=CN(C1=CCC1)C(=O)C	PC-id_144771274	139.152	GNTFUOHETNARMY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002370
OC(=O)CCCC1=NC=C1	PC-id_69874353,SCHEMBL6710786	139.152	JOTOOXYBNZFHFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002371
CCCCOCC1=NC=C1	PC-id_70353765,SCHEMBL10374305	139.195	FVZUOKVLBVBPAX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002372
CCCNC(=O)C1=CCC1	SCHEMBL13185234,EMOLS-id_96373084,PC-id_89033036	139.195	SAOGLJKVUFIERS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002373
CC(NC(=O)C1=CCC1)C	EMOLS-id_96351876	139.195	UNVOAZPYCBSWFG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002374
CCOC(=N)C1CC=C1C	SCHEMBL16313567,PC-id_117755364	139.195	KOIIZUANBXPOOI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002375
CN(C(=O)C1=CCC1)CC	EMOLS-id_265096861	139.195	QRMUXSXCWSSJMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002376
O=C1C(=C(N)C1)CCCC	PC-id_21601784	139.195	WDGUAUZXMWZBLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002377
O=C(N1CC=C1)C(C)(C)C	PC-id_11954473	139.195	CYIOESDBIAXHOR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002378
O=C(N)C1=C(C(C1)C)CC	PC-id_45084080	139.195	CWLAAIPAZKGQCR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002379
O=C(NC)C1(CC=C1C)C	PC-id_12679928	139.195	AUJKDOLPYSUKCW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002380
O=C(NC)C1(CC(=C1)C)C	PC-id_13026825	139.195	PKCIAAURURIGIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002381
C1CC(=C1)CCCCCN	SCHEMBL9644807,PC-id_88493280	139.238	CSXQFROATUYKSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002382
CCCCC1(NC)CC=C1	PC-id_144463613	139.238	LNPDQIQCVHVCGE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002383
CCCCCC1=C(CC1)N	PC-id_88493281,SCHEMBL9644812	139.238	ULCJTABZXOVXIF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002384
CCCCC(C1=CCC1)N	SCHEMBL9644803,PC-id_88493279	139.238	NOQZYZVKXJERJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002385
CCCN1C=CC1CCC	PC-id_144535101	139.238	MXOOJJDIFIHZKW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002386
CC(N1CC(=C1)C(C)C)C	PC-id_59559423,SCHEMBL840166	139.238	GWXVVRCYFLHCQK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002387
CCNC1=C(C(C1C)C)C	PC-id_143715693	139.238	KSFFHKUTJKWEAZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002388
C1(=C(CC1)CCCCCC)[2H]	PC-id_134981269	139.256	BBTZUCHGNFZHRP-BNEYPBHNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002389
N=C1C=CC1[Si](C)(C)C	PC-id_101136630	139.27	ASXYXYYGCXZNDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002390
C1CC(=C1C(=O)[O-])C(=O)[O-]	PC-id_148245354	140.012	UMOGLHXZZGEOAW-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-002391
C1C=CC1(C(=O)[O-])C(=O)[O-]	PC-id_164009828	140.012	UQFFSTQNDQYSAT-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-002392
C1(=C(C(=O)C1(F)F)F)F	ZINC22_16159297,MCULE-8571744630,SCHEMBL5075405,PC-id_12633337	140.036	ASPSKAWHQBLRHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002393
CC(=C)C(=O)OC1=COC1	PC-id_154304971	140.047	AZLANBBSCRIKLH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002394
C1CC(=C1C(F)(F)F)F	SCHEMBL14893053,PC-id_89524355	140.079	UHJIARBBUTWPBM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002395
CC1=C(C(C1F)(F)F)F	PC-id_87084290,SCHEMBL251497	140.079	QTCDSMLAFJPJEG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002396
CC1=CC(C1(F)F)(F)F	SCHEMBL18694998,PC-id_13759154	140.079	NQMSHLVISRYOFM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002397
FC1=C(C(C1C)(F)F)F	SCHEMBL251496,PC-id_53634141	140.079	ABNFJKZWOSRJLA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002398
CC(C)C1CC(=C1)C(=O)O	PC-id_153859008	140.084	ZHCFHMATUNNDMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002399
C1=CC(C1C(=O)[O-])C(=O)[O-]	PC-id_134887160	140.094	YHAJXZJGWSOHHZ-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-002400
C1=C(C=C1C(=O)O)C(=O)O	PC-id_91030834	140.094	CCFDZMLPEYCJOX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002401
CC(=O)OC1=CC(=O)C1=O	PC-id_21694138,SCHEMBL9418649	140.094	JWQIQHLPWMPYSK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002402
OC(=O)C1=C(C=C1)C(=O)O	PC-id_86209232	140.094	XBEPFVUYUDRXFB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002403
CCN(C)C1=C(C(=O)C1)N	PC-id_164149112	140.095	ZDBULITYMASEBS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002404
OC(=O)C1=CN=C1C(=O)N	PC-id_57175741	140.097	GAFNVADJFPUSCS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002405
CC(C=C)C1C=CC1(C)F	PC-id_163743234	140.1	LJOYHLBNBOFHIZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002406
CC(C)OC1[C@H](C=[NH+]1)C=C	PC-id_147035644	140.107	AYLHLAMQEZLOSZ-JAMMHHFISA-O	00001100000000000000000000000000000000000000000000000000	06-01-002407
CCCCC1=C(CC1)NN	PC-id_163621704	140.131	HOQVAADYBRCVAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002408
CCC1=C(C(=O)C1=O)OC	SCHEMBL13001797,PC-id_88998644	140.137	UHCXBDBQNKULBM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002409
CC(C1=C(O)C(=O)C1=O)C	PC-id_10419261,SCHEMBL13285718	140.137	RMANDMMQUFAWSX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002410
CCCC1=C(O)C(=O)C1=O	PC-id_59755510,SCHEMBL12432423	140.137	CIXBSZMJCBCGBF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002411
CC(=C)C(=O)OC1=CCO1	SCHEMBL16026650,PC-id_90401535	140.137	BQJYNHWSMDBICJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002412
CC(C)OC1=CC(=O)C1=O	SCHEMBL5361251,ZINC22_38312155,PC-id_11159362	140.137	RBHRIABDGPNHSX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002413
C=CCOC(=O)C1=COC1	SCHEMBL3259058,PC-id_68570929	140.137	COOGRSGCJUZREW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002414
C=CC(=O)OCC1=COC1	SCHEMBL13375780,PC-id_89075560	140.137	HTAUBHNHOVCHHE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002415
CC(=O)C1=C(CC1)C(=O)O	SCHEMBL8060250,PC-id_88243735	140.137	LODCBVQSDQFQDO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002416
CCOC1=C(C)C(=O)C1=O	EMOLS-id_114340635,PC-id_12614357,SCHEMBL2742898	140.137	RBXCIONWCYPOQY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002417
CC(=O)OC(=O)C1=CCC1	PC-id_88373073,SCHEMBL8838122	140.137	QSWOGMOOHNEHHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002418
COC(=O)C1(CC=C1)C=O	EMOLS-id_337896988,PC-id_45083395	140.137	UBFSFHLYXPBLSU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002419
COC(=O)C1CC(=C1)C=O	EMOLS-id_337902609	140.137	AWZDMUHWNKFRLP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002420
O1C(C(=C1)C(=O)O)CC=C	SCHEMBL6128234,PC-id_69676159	140.137	XMKQEVUTCXARFA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002421
O1C(=C(C1)C(=O)O)CC=C	SCHEMBL6128235,PC-id_69676160	140.137	DHRMTXLYQHBOMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002422
O(CCO)C(=O)C1=CC=C1	PC-id_59613218	140.137	UYBHRAWKKRVVRB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002423
O(C(=O)C1=C(C(=O)C1)C)C	PC-id_13992382	140.137	XLUNGYMSEPTJFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002424
C1(=C(C(=O)C1=O)NC)NC	7208529_OpenMolecule,EMOLS-id_49787227,ZINC22_100018662,SCHEMBL409685,CT-id_7208529,PC-id_2781330,MCULE-1218918211	140.14	FOGOBMREAIKYCG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002425
C1=CN(C1C=O)CC(=O)N	PC-id_89757381,SCHEMBL15196537	140.14	DYIQTKHOEMTOAK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002426
CCC1=C(C)N=C1[N+](=O)[O-]	SCHEMBL17826940,PC-id_121400088	140.14	MVELPVPGXWSCJB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002427
CCNC1=C(N)C(=O)C1=O	SCHEMBL9965561,PC-id_21663228	140.14	LDDCJOVHFWUZNL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002428
CN(C1=C(C(=O)C1=O)N)C	EMOLS-id_43362632,PC-id_15273879,MCULE-4024160484	140.14	CFEUDNVBUBDBGS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002429
CNCC1=C(N)C(=O)C1=O	PC-id_142659111	140.14	VJEXCDCZEXLPMY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002430
O=C1C(=CC1=O)NN(C)C	PC-id_14917973	140.14	UXPWWOLLCBDNGV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002431
O=C(N)C1=C(CC1)C(=O)N	PC-id_12374565	140.14	XPNZGIMXJHFEAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002432
C1(=CC(C)(C)C1)C(=O)OC	EMOLS-id_50367006,MCULE-6134015957,ZINC22_39087290,PC-id_13635308	140.18	OMEOZSYTDFVFCW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002433
CCC1(C=CC1(C=C)O)O	PC-id_91300034	140.18	YYXVJHJQVKWLGL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002434
CCC1CC(=C1)C(=O)OC	EMOLS-id_337898525	140.18	AKESCXHQZRTJHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002435
CCC1CC=C1C(=O)OC	EMOLS-id_337901840	140.18	HNPFXYAAAZRBLV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002436
CCC1=C(CC1)OC(=O)C	SCHEMBL3031489,PC-id_87468628	140.18	TYHGTUMMQWKSSO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002437
CCC1(C)CC(=C1)C(=O)O	EMOLS-id_313478013,MCULE-4583690230	140.18	XMQJRJPCRIRXSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002438
CC[C@]1(C)C=C(C(=O)O)C1	ZINC22_1535645344	140.18	XMQJRJPCRIRXSF-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002439
CC[C@@]1(C)C=C(C(=O)O)C1	ZINC22_1535645345	140.18	XMQJRJPCRIRXSF-QMMMGPOBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002440
CCCC1=C(CC1)C(=O)O	SCHEMBL2841327,PC-id_87444088	140.18	YYAGPJNWDLIBGG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002441
CCCC1(C)C(=CC1=O)O	PC-id_21919617,SCHEMBL2988127	140.18	CQLLOKCNFAJBFK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002442
CCCC(=O)OC1=CCC1	SCHEMBL3252645	140.18	FTELWNMAIPDCPZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002443
CC[C@H]1C=C[C@@H]1CC(=O)O	SCHEMBL16842720,PC-id_118179912	140.18	AGQWAFHHBYREJZ-NKWVEPMBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002444
CC([C@@H]1C=C[C@H]1C(=O)O)C	PC-id_122212281	140.18	RESIUIICFQNQID-NKWVEPMBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002445
CCCOC(=O)C1=CCC1	EMOLS-id_107394022,SCHEMBL7197439,PC-id_54253249	140.18	QYFXIVAADRFORF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002446
CC(C)OC(=O)C1=CCC1	PC-id_87920542,SCHEMBL5972221,EMOLS-id_265098329	140.18	ILIZYGLJBVHLNL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002447
CCC(=O)OC1=CC(C1)C	SCHEMBL10684255	140.18	JWLHMHBLGDYRBL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002448
CC(C(=O)OC1=CCC1)C	SCHEMBL899933	140.18	FOJWGOFZKOLLOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002449
CCOC1=C(C)C(=O)[C@@H]1C	CoCoCo_5513233,PC-id_92282195,ZINC22_5837695	140.18	ITAIXMFAMYVLCY-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002450
CCOC1=C(C)C(=O)[C@H]1C	PC-id_92251218,LI_218578,CoCoCo_5513232,ZINC22_5064347,NSC171190	140.18	ITAIXMFAMYVLCY-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002451
CCOC1=CC(=O)C1(C)C	EMOLS-id_96256182,PC-id_85822538	140.18	UYDLDGOLZHPUPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002452
CCOC1(OCC)CC#C1	PC-id_145795762	140.18	SWBADLBLLRPPJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002453
CCOC(=O)C1=C(CC1)C	PC-id_15178998,SCHEMBL1626805	140.18	SALUFYMOPCJHFP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002454
CCOC(=O)C1=CC(C1)C	PC-id_53650036,SCHEMBL10478110	140.18	AMABZXNCSOTIJI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002455
CCOC(=O)CC1=CCC1	SCHEMBL5181522	140.18	PTSXZAQMGZQLBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002456
COC(=O)C1=C(CC1)CC	PC-id_53654792,SCHEMBL3258907	140.18	APDNCKBZUMVVAY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002457
COC(=O)C1=C(C(C1)C)C	PC-id_53665281,SCHEMBL6252416	140.18	AWDHXWYPAGKRLG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002458
COC(=O)C1=CC(C)C1C	SCHEMBL19512744,EMOLS-id_337898266,PC-id_12523848	140.18	FTLVSCMZYSKIHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002459
COC(=O)C1=C[C@@H](C)[C@H]1C	EMOLS-id_337897499,PC-id_12523850	140.18	FTLVSCMZYSKIHQ-PHDIDXHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002460
COC(=O)C1=C[C@H](C)[C@H]1C	EMOLS-id_337898010	140.18	FTLVSCMZYSKIHQ-NTSWFWBYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002461
COC(=O)C1=C[C@@H](C)[C@@H]1C	EMOLS-id_337900319	140.18	FTLVSCMZYSKIHQ-RITPCOANSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002462
COC(=O)C1=C[C@H](C)[C@@H]1C	EMOLS-id_337902110	140.18	FTLVSCMZYSKIHQ-WDSKDSINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002463
O(C1(C(=C(C1=O)C)C)C)C	PC-id_10419265	140.18	VLZRAEDYTHZIFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002464
O(C1C(=C(C1=O)C)C)CC	PC-id_12614084	140.18	IXUJZCXMWCXCDI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002465
O(C1=C(C(=O)C1C)C)CC	PC-id_298849	140.18	ITAIXMFAMYVLCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002466
OCC1CC(=C1)CCC=O	PC-id_102285251	140.18	LSPQOZVVPBJZPE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002467
OCC1CC=C1CCC=O	PC-id_102285253	140.18	QSEDYZDUANSSJB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002468
O(C(C)(C)C)C1=CC(=O)C1	PC-id_13501622	140.18	DKNIBFHTWGZKRC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002469
OC(=O)C1=CC(C1)CCC	PC-id_14693479	140.18	LTQOJDZSAAXUHE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002470
OC(=O)C(C1=CCC1)(C)C	PC-id_12540589	140.18	FFYZSBOIBYALTG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002471
CC1(CC(=C1)NC=O)NC	PC-id_145398478	140.183	SCZJFWFZGHYRJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002472
C1CC(=C1)CCCCCO	SCHEMBL9295327,PC-id_88442168	140.223	SNZROFBHPIUBJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002473
CCC1C(C(=C1CO)C)C	PC-id_88547962	140.223	HSZCKNTULWZXHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002474
CC(C1=C(CO1)C(C)C)C	SCHEMBL15114817,PC-id_89693184	140.223	JSHYYNXOTUMQNA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002475
CC(C1=COC1C(C)C)C	SCHEMBL15114819,PC-id_89693186	140.223	RBALGIBHXVIPIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002476
CC(C1OC(=C1)C(C)C)C	PC-id_89693185,SCHEMBL15114818	140.223	HCJDLRJYWYRXST-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002477
CCCCCC1=C(CC1)O	PC-id_88442169,SCHEMBL9295328	140.223	VPEOUKXTSFKQJC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002478
CCCCC(C1=CCC1)O	SCHEMBL9295323,PC-id_88442167	140.223	HLMGLUQIYYLPIT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002479
CCCCCC1=C(CO1)C	PC-id_145800125	140.223	SQFQFNDZVHVVFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002480
CCCCOCC1CC=C1	SCHEMBL10218464,PC-id_88577960	140.223	JFTKJVSKPMMWMD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002481
CC[C@H]1C(C)C(=C1CO)C	SCHEMBL10001905	140.223	HSZCKNTULWZXHJ-XDKWHASVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002482
O(C1(C(C)(C)C)CC=C1)C	PC-id_14045261	140.223	VSKZHTKMOFHJLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002483
OCCCCCC1CC=C1	PC-id_85730231	140.223	JQEYIGKQBVJHPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002484
N(CC1C(C=C1)CN)(C)C	PC-id_59679311,SCHEMBL14208393	140.226	STZJUEJNLDUFIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002485
O=C1C=CC1[Si](C)(C)C	PC-id_101136632	140.255	RPJPYMGKGSHCJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002486
[Si](C1=C(CC1)C)(C)(C)C	PC-id_13197284	140.298	JRTOWZHJIQWOBH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002487
[Si](C1=CC(C1)C)(C)(C)C	PC-id_13197292	140.298	SVTGJBGOCUTRBR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002488
[Si](CC1=CCC1)(C)(C)C	PC-id_85976592	140.298	KPMUCOPTZZIALR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002489
[Si]([Si]1=CC=C1)(C)(C)C	PC-id_86043087	140.33	SVSKNTWRFVDGJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002490
C1#CC(C1(F)F)(F)Cl	PC-id_88493996,SCHEMBL9651859	140.491	AHJIEWOKROMKEN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002491
ClC1=CS(O)(O)C1	PC-id_53425578	140.589	FLYKAWMOQCWMEY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002492
ClC1=CC2(C31CC3)CC2	PC-id_101119290	140.61	GGKUUQZIODOCRB-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002493
[C@@H]1(C(=C(N1)Cl)Cl)F	PC-id_163573407	140.955	GBIQTNZGQNZQMM-GSVOUGTGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002494
CCC/C=C/1C=C(N1)S	PC-id_155228844	141.061	QETLRIGCEKXHJS-GQCTYLIASA-N	00001100000000000000000000000000000000000000000000000000	06-01-002495
NC(=N)N1C(=O)C(=O)C1=O	SCHEMBL135588,PC-id_21938806	141.085	SVXBLPKRYYVHKP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002496
C1(=C(C(=O)C1=O)OCC)N	MCULE-9768798400,SCHEMBL709314,EMOLS-id_76052060,PC-id_15146336,ZINC22_34477610	141.125	RMMBULJTXVBMPL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002497
CCNC1=C(O)C(=O)C1=O	SCHEMBL14328662,PC-id_20712507	141.125	GYBSVTACLLKIHA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002498
CNC1=C(OC)C(=O)C1=O	MCULE-4372307142,SCHEMBL8283927,EMOLS-id_106972331,PC-id_13508860	141.125	FCFIXIAXNVTUTF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002499
CN(C1=C(O)C(=O)C1=O)C	SCHEMBL16706025,4322956_OpenMolecule,PC-id_558928	141.125	OOCVIQONYQGULG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002500
COC1=C(OC)N=C1C=O	PC-id_142771207	141.125	LHJYKFLZRDSRSI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002501
COC(=O)C1CC(=C1)N=O	EMOLS-id_337903121	141.125	QZKQIPUSBHAVCN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002502
NCCOC1=CC(=O)C1=O	PC-id_141059015	141.125	URYRVFZCLZBBCS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002503
NC(=O)C1=C(CC1)C(=O)O	SCHEMBL10954847,PC-id_54394876	141.125	VJFMJGSFCRNATB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002504
OC1=C(CCN)C(=O)C1=O	PC-id_10034713	141.125	VVSRTQFPVSUIGX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002505
OC1=C(C(N)C)C(=O)C1=O	PC-id_55289621	141.125	UOEPJEAQDPTTLR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002506
CNC1=C(C(=O)C1=O)NN	SCHEMBL463072,PC-id_87111689	141.128	SDBACDSQKUOERY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002507
NC(=O)C1=NCC1C(=O)N	SCHEMBL9352346,PC-id_67830843	141.128	JFXTUFKQSJUFCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002508
O=C1C(=C(N)C1=O)N(N)C	PC-id_55289269	141.128	ZUJFUZHRGAMLOP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002509
C/C=C(/CP1CC=C1)N	SCHEMBL19074411	141.151	GCKRJIXDPHHJAV-UQCOIBPSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002510
C1CC(=C1)C(CC(=O)O)N	SCHEMBL4552016,PC-id_87689153	141.168	NDTMZPRQHNQHTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002511
C1CC(=C1)C(CN)C(=O)O	PC-id_87689152,SCHEMBL4552015	141.168	FJEJTPNCOJBGEM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002512
CC(C1=CCC1)(C(=O)O)N	PC-id_87689151,SCHEMBL4552014	141.168	SSWCAPYNRCXUSM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002513
CC(C)NC1=C(C(=O)C1)O	SCHEMBL12531714,PC-id_88931996	141.168	RPYKUTARZKEUFK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002514
CCNC(=O)C1=CC(O1)C	PC-id_91411197	141.168	VUDRXFCMKLATDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002515
CCOC(=O)C1=CC(C1)N	SCHEMBL3455790,PC-id_87529850	141.168	IDPWXDWUFIEHDO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002516
CCONC(=O)C1=CCC1	EMOLS-id_265100083	141.168	ZRNASRKLNHOKRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002517
COCCC(=O)N1CC=C1	SCHEMBL21261742,PC-id_139404809	141.168	HHRKEKISDRJQCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002518
COC(=O)C1=CC(CN)C1	EMOLS-id_81863738,PC-id_121227517	141.168	ZEFXEFHJKJHKQI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002519
CON(C)C(=O)C1=CCC1	PC-id_99992037,MCULE-5439405580,ZINC22_217791930,EMOLS-id_50378658	141.168	MSHYIPNDLDDNEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002520
OCC1C(NC(=O)C)C=C1	PC-id_55300681	141.168	HGPLPHJSXDRHBB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002521
OCCNC(=O)C1=CCC1	SCHEMBL11910903,PC-id_24802880	141.168	BAMRRYHJDPOUJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002522
OC(=O)C1=CCN1CCC	PC-id_17904424	141.168	JXTGDYCKCFMQPK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002523
OC(=O)C(N)CC1=CCC1	PC-id_55290846	141.168	IFAICFYSKHRTER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002524
CCNC1=CC(=O)C1=S	SCHEMBL20500895,PC-id_135329780	141.191	OSJONOUUSQIDHR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002525
CCNC1=CC(=S)C1=O	PC-id_135329766,SCHEMBL20500881	141.191	JZAVUVDMHXUDTP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002526
CC1=C(C)[C@@](C)(N)[C@@]1(C)O	PC-id_92162760,ZINC22_1709965,CoCoCo_5445855	141.211	CHXIILPCVJVNOX-SFYZADRCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002527
CC1=C(C)[C@@](C)(O)[C@]1(C)N	CoCoCo_5445854,ZINC22_1709967,PC-id_55285007	141.211	CHXIILPCVJVNOX-HTQZYQBOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002528
CC1=C(C)[C@@](C)(O)[C@@]1(C)N	PC-id_92162762,ZINC22_1709968,CoCoCo_5445853	141.211	CHXIILPCVJVNOX-JGVFFNPUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002529
CC1=C(C)[C@](C)(O)[C@@]1(C)N	ZINC22_1709966,PC-id_92162761,CoCoCo_5445856	141.211	CHXIILPCVJVNOX-YUMQZZPRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002530
CC(C1N=CC1(C)O)(C)C	PC-id_138690028,SCHEMBL21063737	141.211	DJIKVADYOMLABB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002531
CC[C@@H]1C(=N[C@@H]1CC)OC	PC-id_92295722,ZINC22_6371520,CoCoCo_5517157	141.211	GQGOECFIOZRSRU-NKWVEPMBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002532
CC[C@@H]1N=C(OC)[C@@H]1CC	ZINC22_6002330,CoCoCo_5517155,PC-id_92286669	141.211	GQGOECFIOZRSRU-RQJHMYQMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002533
CC[C@H]1N=C(OC)[C@@H]1CC	ZINC22_6002344,PC-id_92286675,CoCoCo_5517158	141.211	GQGOECFIOZRSRU-RNFRBKRXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002534
CC[C@@H]1N=C(OC)[C@H]1CC	ZINC22_6371516,CoCoCo_5517156,PC-id_92295721	141.211	GQGOECFIOZRSRU-BQBZGAKWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002535
NCCCCCC1OC=C1	PC-id_68992871,SCHEMBL4299156	141.211	BTLQGBCBYLRMCQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002536
OC1(C(N)(C(=C1C)C)C)C	PC-id_274445	141.211	CHXIILPCVJVNOX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002537
O(C1=NC(C1CC)CC)C	PC-id_300273	141.211	GQGOECFIOZRSRU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002538
O(C1=NC(C1(C)C)(C)C)C	PC-id_534356	141.211	VESBROIBCPCEBP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002539
S(C1=NC(C1)C=C)CC	PC-id_86094509	141.234	RJDWZLZFPBBFQN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002540
C1CC(=C1)C(=S)O[Si]	PC-id_89977712	141.243	TZEBCMYIVOSHRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002541
C[Si](OC1=NC=C1)(C)C	SCHEMBL6671604,PC-id_69860175	141.243	WDPIDKNBZJYMDT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002542
O=C1N=CC1[Si](C)(C)C	PC-id_102173238	141.243	HYDCEGQIUYXMEO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002543
C1=C(C(C1(F)F)(F)F)O	PC-id_87301610,SCHEMBL1848991	142.052	FDZIRSMAULLGIX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002544
CC(C)C1C(=C(C1=O)O)O	PC-id_164838678	142.063	YCQUGBHZKHAQPK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002545
O=NC1=C(C(=O)C1=O)ON	SCHEMBL16310742,PC-id_117752985	142.07	YOBRKLAXIPFWTQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002546
CNC1=C(C(=O)C1O)NC	PC-id_163623651	142.074	HQGKBXXINZQHCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002547
OC1=CC(C1)COC#P	SCHEMBL18721599	142.092	HZBCMRBORNGZGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002548
C1(=C(C(=O)C1=O)OC)OC	EMOLS-id_501841,ZINC22_2145277,SPECS-id_AS-970/QB06644,PC-id_123227,STOCK6S-91980,TIMTEC463736,MCULE-7805492145,SCHEMBL239276,SPECS-id_AS-970/QB06641	142.109	SZBNZTGCAMLMJY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002549
CCOC1=C(O)C(=O)C1=O	SCHEMBL1671594,PC-id_19591430	142.109	OHHYZFKYCUKQBI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002550
COC1=C(C(=O)C1=O)CO	SCHEMBL9962327,PC-id_58104661	142.109	SNRZJYOBIXBJQV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002551
OC(=O)C1C(C=C1)C(=O)O	PC-id_22316112,SCHEMBL3482767	142.109	YHAJXZJGWSOHHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002552
OC(=O)C1=C(CC1)C(=O)O	PC-id_566634,ZINC22_32252466,EMOLS-id_89938120,SCHEMBL168735,MCULE-2890031532	142.109	UMOGLHXZZGEOAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002553
OC(=O)C1(CC=C1)C(=O)O	SCHEMBL10778290,PC-id_20324029	142.109	UQFFSTQNDQYSAT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002554
OC(=O)C1CC(=C1)C(=O)O	SCHEMBL11651562,PC-id_54408630	142.109	VSNLYJRXYZLYOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002555
OC(=O)C1=CCC1C(=O)O	SCHEMBL963370	142.109	CIIZGWIQKVUJSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002556
OC(=O)[C@@H]1[C@@H](C=C1)C(=O)O	PC-id_55299626	142.109	YHAJXZJGWSOHHZ-ZXZARUISSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002557
OC(=O)[C@H]1[C@@H](C=C1)C(=O)O	PC-id_55301962	142.109	YHAJXZJGWSOHHZ-QWWZWVQMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002558
CN(C1=C(C(=O)C1=O)O)N	SCHEMBL15597880,PC-id_90063635	142.113	KTBVMFCDGKWBBQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002559
CONC1=C(N)C(=O)C1=O	PC-id_142648880	142.113	XGJCEILWWLRYNO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002560
O=C1C(=C(NO)C1=O)NC	PC-id_20712509	142.113	JNIKYACSMHUQPH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002561
ON(C1=C(N)C(=O)C1=O)C	PC-id_20712499	142.113	PQHUJYRRIZQBJO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002562
C1(=C(C(=O)C1=O)NN)NN	SCHEMBL2787101,PC-id_87435929	142.116	ZBONDEDMSQQMJS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002563
O(CC1=C(CC1)C(=O)O)C	PC-id_13265878	142.152	CVDMMBBFIHXZFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002564
OCC1(CC=C1)C(=O)OC	PC-id_45089971	142.152	NPKMIGDJHMEBPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002565
O(CC1=CC(=O)C1)COC	PC-id_51356921	142.152	GOKOHVKOBRSZHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002566
CCCC1=C(CO1)C(=O)O	PC-id_68636172,SCHEMBL3421459	142.153	OTOHIFCEKOPCFQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002567
CCCC1OC=C1C(=O)O	SCHEMBL1679767,PC-id_23221569	142.153	BJHZRVPXJJCRTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002568
CC(C)OC1=C(C(=O)C1)O	SCHEMBL12531711,PC-id_88931995	142.153	HMKJDANOWIJPEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002569
CCCOC(=O)C1=COC1	SCHEMBL393864,PC-id_54467668	142.153	XGBXOZYBTOAQES-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002570
CCOC(=O)C1=C(CC1)O	SCHEMBL5954131,PC-id_87917679	142.153	NYDQHACRAHTMDD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002571
COCC1CC(=C1)C(=O)O	SCHEMBL1706218,PC-id_87280449	142.153	HPTYMPLFHLEHEE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002572
COCC(=O)OC1=CCC1	SCHEMBL8570639	142.153	XXQVOHDTDLFALD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002573
COC(=O)C1C=CC1CO	EMOLS-id_337902622	142.153	RYKROXIGTFXYHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002574
COC(=O)C1=C(CO)CC1	EMOLS-id_89938122,ZINC22_39061086,MCULE-9279367843,PC-id_13265872	142.153	WPTWQLYJHMIRFY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002575
COC(=O)C(C1=CCC1)O	SCHEMBL1115531	142.153	POIHDKRXGRATIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002576
COC(=O)[C@@H]1C=C[C@@H]1CO	EMOLS-id_337902366	142.153	RYKROXIGTFXYHH-PHDIDXHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002577
COOC1=C(C(=O)C1C)C	PC-id_143730641	142.153	IPPCLGJYJLVBJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002578
O(CC1CC=C1)CC(=O)O	PC-id_71349244	142.153	UKQRHJMUIFEVSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002579
OCCOC(=O)C1=CCC1	SCHEMBL2401374,PC-id_54442069	142.153	WOUYBCVRJYWZLC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002580
S(C1=CC(=O)C1=O)CC	PC-id_14644655	142.176	KMFQHXLZKWJRHB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002581
C1CC(=C1)CCCCP	PC-id_88880873,SCHEMBL12106715	142.178	VBTVTZJTSDPZRQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002582
P1(C(C(=C1C)C)(C)C)C	PC-id_21133048	142.178	DYOYKEAEOFVRGZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002583
NC(=S)NN=C1NC=C1	SCHEMBL7774809	142.182	ZUHWBKDBBIAJLW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002584
CC1=C(C)C(C1(C)O)(C)O	SCHEMBL8592618,PC-id_538684	142.196	XERUSAIHHJJPEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002585
CC(C1CC(=C1O)O)(C)C	SCHEMBL8528368,PC-id_88317684	142.196	XKNYCCIWVXJBDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002586
CCC1(O)C=CC1(O)CC	PC-id_141005644	142.196	WWKXNHJWGPZYDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002587
CCCCC1=CC(C1O)O	PC-id_57039753,SCHEMBL7692279	142.196	HYJQDYQOBRWHTR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002588
CCCCC1CC(=C1O)O	SCHEMBL6472954,PC-id_87997990	142.196	UTZQGEIBJNLLSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002589
CCCCC1(O)C=CC1O	PC-id_141041312	142.196	KPLPIGBRVPRAKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002590
CCOC1=C(CC1)OCC	PC-id_56988953,SCHEMBL3686517	142.196	MPWDHRXOYWRDMA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002591
CCOC1C=CC1OCC	SCHEMBL7420746,PC-id_13395688	142.196	IPJBFLBLJUEBNJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002592
COC1CC=C1C(O)(C)C	PC-id_101073783	142.196	GXCFPBDAGAPIJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002593
COCC1C=CC1COC	PC-id_22507469,SCHEMBL6318006	142.196	LYXHLVBWOUCLHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002594
COC(OC)C1CC(=C1)C	EMOLS-id_337901076	142.196	FXVZIRUJKLBCRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002595
O1C(CCCCCO)C=C1	PC-id_68990094,SCHEMBL4292066	142.196	XFYYKTRIQGWOSM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002596
OC1C(=CC1O)C(C)(C)C	PC-id_57129427	142.196	RHVLGLNSTLOFRF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002597
OC1C(O)C(=C1CC)CC	PC-id_57152800	142.196	UHNLMOPHXKRLJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002598
OC[C@]1([C@](C=C1)(CO)C)C	PC-id_11217312	142.196	GJRAIJBUOXEWRR-OCAPTIKFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002599
O(CC1CC(=C1)COC)C	PC-id_57005779	142.196	USBXEWRPSWZMEW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002600
OCC1(C(C=C1)(CO)C)C	PC-id_72755561	142.196	GJRAIJBUOXEWRR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002601
C1(C([NH+]=C1OC)CC)CC	MCULE-1337457077,PC-id_91944644	142.219	GQGOECFIOZRSRU-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-002602
CC1=C(S)C(C1=O)(C)C	PC-id_101337499	142.219	HBKQYANEUHZBGJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002603
CC(=C1OC(=C1C)S)C	PC-id_101337495	142.219	KWSDPIMAUFOOOM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002604
CSC1=CC(C1=O)(C)C	PC-id_141067840	142.219	NUHWBCGZLKWEDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002605
C[Si](C)ONC1=CCC1	PC-id_91464719	142.251	QCWLEEVKQBMDKL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002606
O=C1[NH+]=CC1[Si](C)(C)C	PC-id_102173237	142.251	HYDCEGQIUYXMEO-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-002607
[SiH3]C1=C([SiH3])C(=O)C1=O	PC-id_101108383	142.26	GHXUQOBBDFYGPE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002608
C1CC(=C1)CCCCS	SCHEMBL12106713,PC-id_88880871	142.262	CCJADWBFHWLWPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002609
CCCC1=CSC1CC	PC-id_134934533	142.262	QTOHAHANWDRWRB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002610
CCCCC1=CSC1C	PC-id_144161884	142.262	GPXQCKQLTFYLNL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002611
C[Si](OC1=CCC1)(C)C	SCHEMBL5264454,PC-id_12608284	142.271	WOGNTGVWJBZPCE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002612
ClC1(F)CC(=C1F)F	PC-id_21977356	142.507	BFUBAZNEYMMQOJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002613
ClC1(F)C(F)(F)C=C1	PC-id_19387489	142.507	LUPFIJNBRBJCCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002614
Cl[C@@]1(F)C(F)(F)C=C1	PC-id_23234749	142.507	LUPFIJNBRBJCCA-VKHMYHEASA-N	00001100000000000000000000000000000000000000000000000000	06-01-002615
Cl[C@]1(F)C(F)(F)C=C1	PC-id_23236050	142.507	LUPFIJNBRBJCCA-GSVOUGTGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002616
FC1=C(Cl)CC1(F)F	EMOLS-id_508673	142.507	NTBUBNMKBVNZBB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002617
ClCC1=CC(=C)C1C=O	PC-id_12860859	142.583	ONRWHWSNQSZELD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002618
ClC1(C(=C(C1=C)C)C)C	PC-id_11094732	142.626	TWZLHDRFKVUAJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002619
[Ge]OC1=NCC1	PC-id_86087831	142.71	ITZRYGUUFPBWLL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002620
[Ge]1(CC=C1)(C)C	PC-id_23525037	142.773	IATPDRIOBOSQOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002621
C1=C(C(=N1)[N+](=O)[O-])[N+](=O)[O-]	PC-id_88429234,SCHEMBL9218352	143.058	ZBJWGTAFHQOFAF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002622
C=C1C(=C)C1=CC1=CNC1=C	PC-id_163594451	143.073	GSFFYVUEUOTGKC-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002623
CO/C(=CN)/C1=CCC1F	PC-id_155110784	143.075	OPFITXXHETVYMC-DAXSKMNVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002624
O(C1=C(NO)C(=O)C1=O)C	PC-id_86086601	143.097	XYACMGTVEJOBNT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002625
OC(=O)C1NC(=C1)C(=O)O	PC-id_140130172	143.097	IYYNGLCISWFRSP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002626
OC(=O)N1C=CC1C(=O)O	PC-id_142774437	143.097	CANOWDLOKAZFJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002627
O(NC1=C(O)C(=O)C1=O)C	PC-id_10678359	143.097	HSGWMERQXIJDRE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002628
FCCNC(=O)C1=CCC1	EMOLS-id_96422973	143.159	BBYUPDUMZXEDSV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002629
C1(=O)C(=C(N)C1=O)SC	PC-id_14917977,MCULE-4660815992,EMOLS-id_46019684	143.164	JLNGIXDKZMLPHU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002630
CC1=C(C)C(N1S)(C)C	SCHEMBL19832930,PC-id_134225613	143.25	VSNBNUTUACIICA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002631
S(C1CC=C1)CCCN	PC-id_58684827	143.25	DXPXXCPSFZYDGH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002632
C1CC(=C1)C(=S)O[SiH3]	SCHEMBL15484416,PC-id_154064950	144.007	NRUVPRGNSFARBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002633
CCS(=O)(=O)C1=CN=[C-]1	PC-id_153928927	144.012	OSZYAAZXTOGHEI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002634
FC1=CC(C1(F)F)(F)F	SCHEMBL1232181,PC-id_554177	144.043	FNURRVLRQSNEFB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002635
FC1=C(C(C1F)(F)F)F	SCHEMBL251438,PC-id_544430	144.043	KFFZHRPDSPNLIY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002636
C=C1C(=C(C1=O)P)P	SCHEMBL14319799,PC-id_89305801	144.048	ARPOHQDEDASMER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002637
CCCCC1=CS(=O)C1	PC-id_154328985	144.061	QWNOBXPFVMYJPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002638
COOC1=C(C(=O)C1=O)O	SCHEMBL15533981,PC-id_90014671	144.082	RMSZLHJTGLYUJC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002639
O(N)C1=C(ON)C(=O)C1=O	PC-id_54506333	144.086	YFZBGGODIYBPTC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002640
C1=NC(C1NO)(N=O)N=O	PC-id_90841389	144.089	QVRVENBWXFQPFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002641
FC1(F)CC(=C1NC)C#N	PC-id_55287001	144.122	BPEPMNRUASIEFK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002642
C1=CC(C1C(=[OH+])O)C(=[OH+])O	PC-id_134898092	144.125	YHAJXZJGWSOHHZ-UHFFFAOYSA-P	00001100000000000000000000000000000000000000000000000000	06-01-002643
COC1=C(C(C1=O)O)OC	PC-id_85531970,SCHEMBL18029583	144.125	KBGBWCSFJAAACE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002644
OC(C1OC#C1)C(CO)O	PC-id_145359659	144.125	GLAXVTNSJITIHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002645
CSC1=C(O)C(=O)C1=O	SCHEMBL16706028	144.148	KMGZJSQGGRFOKV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002646
CC1=C(OC1(C)COC)O	PC-id_135011739	144.168	HEUACFAVFFINEO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002647
[S-]C1=C([O-])C(=S)C1=O	PC-id_22983104	144.172	RMWOJYLRMHEUBD-UHFFFAOYSA-L	00000100000000000000000000000000000000000000000000000000	06-01-002648
[S-]C1=C([S-])C(=O)C1=O	PC-id_102474473	144.172	FHDREPHXTFSCHT-UHFFFAOYSA-L	00000100000000000000000000000000000000000000000000000000	06-01-002649
CC1=C(CC1)C(=O)OS	PC-id_91053369	144.192	VHNGDDWYZIWXON-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002650
C=CS(=O)(=O)C1=CCC1	SCHEMBL7027707,PC-id_19352872	144.192	NROUQQZYJPKTGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002651
SOC(=O)CC1=CCC1	PC-id_19436658	144.192	GDQQJZIBQGBYTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002652
CC1=C(O)C(=S)C1=S	SCHEMBL14306473	144.215	QWTUQOKUSJKHFI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002653
SC1=C(C(=O)C1=S)C	PC-id_22950199	144.215	JTQNRSMWCGHNCM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002654
ClCOC(=O)C1=CC=C1	PC-id_59389119,SCHEMBL13001653	144.556	FQDIYRZGKOSFRG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002655
ClCC1=CC(=C)C1CO	PC-id_12860858	144.599	CCQRDQRUJGWQQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002656
ClC1=CC(C1(C)C)(C)C	PC-id_101119289	144.642	TXNGUZYSPIQVEJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002657
C1=C(C(=C1)Br)N	PC-id_148063359	144.953	JIRBQLLDFXEAKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002658
CCS(=O)(=O)C1=CN=C1	PC-id_153928928	145.02	AULUZRSFPQPSMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002659
CC1=C(C[C@H]1Cl)C(=O)N	PC-id_163628460	145.029	HTZZUOWWIHKHMW-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002660
CC(=O)N[C@H]1CC=C1Cl	PC-id_163649661	145.029	ILELRMLCGRAIQC-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-002661
CCS1=C(C(C1)N=O)C	PC-id_163693857	145.056	JVGPQXKUIBJYTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002662
[O-][N+](=O)C1([N+](=O)[O-])CN=C1	PC-id_20087047	145.074	BFESFUFBDXOUEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002663
OC1C([O-])C(=C1N=O)NO	PC-id_74940407	145.094	SQANEYCCUOIYHE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002664
O[C@@H]1[C@H]([O-])C(=C1N=O)NO	PC-id_44172820	145.094	SQANEYCCUOIYHE-DMTCNVIQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002665
O[C@@H]1[C@@H]([O-])C(=C1N=O)NO	PC-id_51539822	145.094	SQANEYCCUOIYHE-IMJSIDKUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002666
O[C@H]1[C@H]([O-])C(=C1N=O)NO	PC-id_51539823	145.094	SQANEYCCUOIYHE-QWWZWVQMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002667
COC1=C(CC1(F)F)C#N	EMOLS-id_337849870	145.107	QEFJYKBCOPBRID-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002668
CS(=O)(=O)NC1CC#C1	PC-id_121468418,SCHEMBL17907512	145.18	PIPLDAVCTGLJIS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002669
C1C=C=C1CC1=C=C(C1)CN	SCHEMBL19956516,PC-id_134333388	145.201	ACNHJNSHQSVYCX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002670
C1CC(=C1)S(=O)CCN	PC-id_91394533	145.223	BKZMRPHFZYUNNY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002671
S(=O)(C1CC=C1)CCN	PC-id_58685086	145.223	KUWKLKOTZOOVLG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002672
ClC1=C(N)C(C1=O)(C)C	PC-id_141170623	145.587	YQRRPTPDNMQVGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002673
C(#N)C1=C(N=C1Cl)Cl	PC-id_163713899	145.944	KLQGAEQZLSHRPQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002674
C[C@H]1CC=C1Br	PC-id_146790853	145.973	RVUFZDXKOXPTPI-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002675
CC1=C(N=C1)Br	PC-id_142778057	145.985	WTWDEUAXXHHCAC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002676
CNS(=O)(=O)N1C=C=C1	PC-id_163975668	146.015	STXBNOKQFHLRGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002677
PC1=C(P)C(=O)C1=O	PC-id_58820629,SCHEMBL14099233	146.021	GCTIEMNQAQPHCM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002678
OOC1=C(C(=O)C1=O)OO	PC-id_101108384	146.055	YBCNBPJTHLNPNH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002679
OC1C(O)C(=C1NO)N=O	PC-id_2775697	146.101	BBYILXWLOUXIQQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002680
O[C@H]1[C@H](O)C(=C1NO)N=O	PC-id_11887471	146.101	BBYILXWLOUXIQQ-QWWZWVQMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002681
O[C@H]1[C@@H](O)C(=C1NO)N=O	PC-id_44172821	146.101	BBYILXWLOUXIQQ-DMTCNVIQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002682
O[C@@H]1[C@@H](O)C(=C1NO)N=O	PC-id_7164451	146.101	BBYILXWLOUXIQQ-IMJSIDKUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002683
O[C@@H]1[C@H](O)C(=C1NO)N=O	PC-id_7164452	146.101	BBYILXWLOUXIQQ-IUYQGCFVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002684
CC(=CC(=CC1=CC=C1)C)C	PC-id_153829462	146.11	QKRQRFDCTQOEAB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002685
FC1(F)CC(=C1OC)C=C	PC-id_11469140	146.135	WSIIUYXCMGXDDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002686
COC1=C(C(C1O)O)OC	PC-id_101157206	146.141	YPFKSKZAOKZTOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002687
CC1=C(C(C1(C)F)(C)F)C	PC-id_88890529	146.178	LEKQRLCOGZINAL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002688
CC1=C(C)[C@@]([C@@]1(C)F)(C)F	SCHEMBL12185105	146.178	LEKQRLCOGZINAL-OCAPTIKFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002689
OC1=C(S)C(=O)C1=S	SCHEMBL12954640,PC-id_5251444	146.187	RMWOJYLRMHEUBD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002690
SC1=C(S)C(=O)C1=O	SCHEMBL1456777,PC-id_5251441	146.187	FHDREPHXTFSCHT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002691
CCCC1=CCS1(=O)=O	CT-id_2009621,2009621_OpenMolecule,PC-id_10964654	146.207	YTBIOQAIHUQDQK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002692
S1(=O)(=O)C(CCC)C=C1	PC-id_21781766	146.207	UDZJJVCVQQRMTM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002693
C1(C(=C(C1=C)C)C)(CC#C)C	PC-id_14089932	146.229	MHNXODPAGWEOBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002694
C1(C(=C(C1=C)C)C)(C)C=C=C	PC-id_14089933	146.229	IEAFHGHUWXUMHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002695
CC1C(C(=C1S)S)C	PC-id_88563403	146.274	XCMIDGXHPQWCHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002696
C[C@@H]1[C@H](C)C(=C1S)S	SCHEMBL10079044	146.274	XCMIDGXHPQWCHW-ZXZARUISSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002697
ClC1=C(OC)C(=O)C1=O	PC-id_10866482,SCHEMBL3791080	146.529	GYTUQRTULYGOGR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002698
CC1=NC(=C1[N+](=O)[O-])Cl	PC-id_137418576,SCHEMBL20652475	146.532	ASFDYCAXCLTXMM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002699
C1CC(=C1)OC(=O)CCl	PC-id_87480091,SCHEMBL3100749	146.572	OXCNZUDXRWYXRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002700
CC(=O)OC1=C(CC1)Cl	SCHEMBL5480824	146.572	VWMYKSAFCWZTFS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002701
ClC1C(=CC1=O)OCC	PC-id_11355555	146.572	VYRHYAMNBIQPKZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002702
ClOC(=O)CC1=CCC1	SCHEMBL6076638	146.572	VNVIQJSMBPMLAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002703
C1(=O)C(=O)NC1=S(=O)=O	PC-id_153849254	146.963	DWVMTQKIDBFNPJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002704
BrC1=CCC1=O	EMOLS-id_330918397,PC-id_71545776	146.97	VKXSFRBDTBLHSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002705
BrC1=CC(C1)C	PC-id_12820049	147.013	PDJGRXAPJGSZBK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002706
BrC1CC(=C1)C	PC-id_13300170	147.013	MICNNUQEOKKFGC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002707
BrC1=C(CC1)C	PC-id_45090410	147.013	WHGLESANVVYUGY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002708
BrCC1CC=C1	EMOLS-id_96212934	147.013	MUQZNJRWIDZPDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002709
BrCC1=CCC1	PC-id_117970229,SCHEMBL16589109	147.013	KCOITRNPCINKGE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002710
O=CC1[Se]C=C1	PC-id_139924427	147.034	GUSJPEUUHQZQGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002711
C#CCN1C(F)C(=C1F)F	PC-id_142789997	147.098	HZAIRWFCPYDGCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002712
CN(C)C1=CS(=O)(=O)C1	ZINC22_31716347,NSC135387,PC-id_282202,CoCoCo_5467288,LI_217199	147.195	UKFZZEHICMCYPK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002713
CC1=C(C=C1)C#CCCCN	SCHEMBL20025539,PC-id_134394931	147.217	UEZIREWWUFWVDY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002714
C=C/C=C(/C1C=CC1N=C)C	SCHEMBL21363597,PC-id_139494884	147.217	MNSLPAMKJWZPOP-VMPITWQZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002715
C1([C+](C(=C1C)C)C)(CC#C)C	PC-id_14089936	147.237	XRGJOGISVYAALH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002716
[S+]1=C(CC1CSC)C	PC-id_86193686	147.282	YFHIDUUEQKQJMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002717
ClC1=NC(=C1C)SC	PC-id_67590021,SCHEMBL8452340	147.626	YMGWNEBVFJNYHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002718
BrC1=CNC1=O	PC-id_54244253	147.958	QSDAUTKLRSZLDY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002719
C1(=C(C(=N)C1=N)Cl)Cl	PC-id_155208383	147.96	XMXNHGPMSFOJSH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002720
ClC1(Cl)CC=C1C#N	PC-id_57206883	147.99	LSXOQRDVHYKFEI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002721
C[C@H]1NC=C1Br	SCHEMBL18436217	148.001	PMMHNAVUGCYDCY-GSVOUGTGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002722
C1C=C([C@H]1OCCO)Cl	PC-id_164030909	148.029	VHVVPWYDEKODNR-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-002723
CNS(=O)(=O)C1=CNC1	PC-id_163650192	148.031	ILPSWQVUCBYNKF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002724
C1=CC(=C1)CCC(F)(F)F	PC-id_164151624	148.05	ZFENNLGCGQNVLR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002725
CC1(C=C(C1(F)F)OC)C	PC-id_154368381	148.07	WLUOCSOBDNBYGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002726
CC1=C(CC1)OOOOO	PC-id_88930749,SCHEMBL12523152	148.114	RZBHZJJQUFAXIE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002727
O(C1C(OO)C(=C1)OO)C	SCHEMBL14360081,PC-id_59012506	148.114	AMICFOYIHWCDAB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002728
C[P+](C1=CC(C1)N)(O)O	PC-id_91935573	148.12	BNQJOKSPCWBSOI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002729
N[C@H]1CC(=C1)[P+](O)(O)C	BindingDB_PC-id_91935573	148.12	BNQJOKSPCWBSOI-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002730
N[C@@H]1CC(=C1)[P+](O)(O)C	BindingDB_PC-id_91935574	148.12	BNQJOKSPCWBSOI-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002731
O=C1CC(=N1)S(=O)(=O)N	SCHEMBL8469911,PC-id_23212905	148.14	RUFSUJZUKQZYNH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002732
[O-]C1=C(C(=O)[C+]1/C=C/C)C=C	PC-id_59081709	148.159	PWQWTSNAOKXPBR-HWKANZROSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002733
[O-]C1=C(C(=O)[C+]1C=CC)C=C	PC-id_72510787	148.159	PWQWTSNAOKXPBR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002734
C#CC1=C(C#C)C(=C1C#C)C#C	PC-id_15827042	148.16	HEUYILYXFVQGOW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002735
CC1=COC1CSP	SCHEMBL18471360	148.163	RLSBRDOXEFWLOQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002736
CC1=CCC1S(=O)(=O)O	SCHEMBL19418323	148.18	HINMHICBOTZCPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002737
S1(=O)(=O)CC(=C1)OCC	PC-id_12331988	148.18	BAFXFISGMVTJEN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002738
S(=O)(=O)(OC1=CCC1)C	PC-id_21720575	148.18	DDNFMTUHUHFXAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002739
CS(=O)(=O)[N+]1(C)CC=C1	SCHEMBL8062760,PC-id_70267159	148.203	JDCIEFJNSBNLSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002740
OC1=C(O)C(=C1S)S	PC-id_101348155	148.203	WDHOJVJSMMZDKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002741
O=S1(=O)CC(=C1)[NH+](C)C	GD-id_ZINC01721950	148.203	UKFZZEHICMCYPK-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-002742
C=C1C(=C(C1=C)NC1CC1)N	PC-id_145113905	148.205	FCNMKNACICEUOS-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002743
C=CC1=C(C(N1)C#N)C(C)C	PC-id_135171340,SCHEMBL20321307	148.205	MYKFTGIFXTYYCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002744
C12(C(=C3CCC3)CC1)CCC2	PC-id_15602518	148.245	QRRFDIXHRBPHGW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002745
C1(C(=C(C1=C)C)C)(CC=C)C	PC-id_14001445	148.245	AMLUNOOJRWVGHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002746
C1(C(C(=C1C)C)(C)C#C)(C)C	PC-id_21718174	148.245	NBBFONHJAXHVHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002747
CC(C)(C)CC1=C=CC1C=C	PC-id_91568801	148.245	NGQXPDLKWVUNEA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002748
C/C(=CC=C(C)C)/C1=CCC1	PC-id_143707418	148.245	IFFHESZPTVATRM-CSKARUKUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002749
CS(=S)(=O)C1=CCC1	PC-id_118411315,SCHEMBL17133291	148.246	OLVLDRRHLYORLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002750
[Si](C)(C)(C)C#CC1=CC=C1	PC-id_11822312	148.277	UNRQSVHNZSPLQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002751
B(CC1=CCC1)(Cl)Cl	PC-id_135000067	148.826	FMEZPNAXGQPPLQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002752
C1C(=O)C(=N1)S(=O)(=O)O	PC-id_161063783	148.978	LCVPLBZUZYPVMM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002753
NC(C1=BC/C/1=CC=NC)N	SCHEMBL15723402	149.001	UTUTXNHKWSCLOZ-RBRGVULESA-N	00001100000000000000000000000000000000000000000000000000	06-01-002754
CC1=C(C(=C1Cl)Cl)C	PC-id_134977019	149.018	JKOZYFYTQKKJBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002755
ClC(=C1CC(=C1)C)Cl	PC-id_100988904	149.018	UDOCZYOOJPSADR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002756
O=CC1=NC=C1C(F)(F)F	PC-id_143603931	149.071	RGTSQCUUGYNRJB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002757
CC1=C(C(=NC)C1=C)C(C)C	PC-id_164123174	149.12	YHIVKHPRMRMJED-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002758
CCC1=CC(C1)(C)C=C=NC	PC-id_163555884	149.12	FMZVOXVFNNQAEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002759
CCC1CC(=C1)/C=CCN=C	PC-id_163865336	149.12	PGDBIEVIUWYGIE-PLNGDYQASA-N	00001100000000000000000000000000000000000000000000000000	06-01-002760
CC/C=C/1C=CC1=CCCN	PC-id_163637844	149.12	IBSIZTPSZWRKOO-FTBRZUGYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002761
CCCCCC1CC(=C1)C#N	PC-id_154344578	149.12	CRSFUMMSDQRJKZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002762
C=CCCC(CC1=CC=C1)N	PC-id_153386287	149.12	SMVCUJNMOIAEBY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002763
O=C1C=CN1S(=O)(=O)O	PC-id_70412913,SCHEMBL10650389	149.125	VABFQGUHLFDIJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002764
FCS(=O)(=O)C1=NC=C1	PC-id_144446244	149.143	MYLBNHGZOSEKPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002765
C1CC(=C1C=CC(=O)O)C#N	PC-id_88101701,SCHEMBL7155768	149.147	YGGLGAZPCYWAEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002766
C#CCNC1=C(C)C(=O)C1=O	SCHEMBL16144093,PC-id_117627341	149.147	KMUROHRHGWQFRZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002767
C[CH+]/C=C
/C(=C(C1=O)C=C)O	PC-id_136116738	149.167	PWQWTSNAOKXPBR-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-002768
OC1=C(C(=O)[C+]1/C=C/C)C=C	PC-id_59081710	149.167	PWQWTSNAOKXPBR-HWKANZROSA-O	00000100000000000000000000000000000000000000000000000000	06-01-002769
CC/C=C(C1=CC(=N1)C=C)/O	PC-id_138703031	149.19	UGNJWFAFCCSIAH-WEVVVXLNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002770
CC/C=C(C1=C=C(N1)C=C)/O	SCHEMBL21078987	149.19	QPKSLCYVCULAHN-WEVVVXLNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002771
N(=[N+]=[N-])C1(C(=C(C1=C)C)C)C	PC-id_85783831	149.193	GSSWTORBHFTRJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002772
C1CC(=C1)CCCCCC#N	SCHEMBL9295588,PC-id_88442201	149.233	UJEKPJZXJFCGOD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002773
CC1=C(CC1)C(=C)NC(=C)C	PC-id_88271248,SCHEMBL8259824	149.233	VTOXUNHSEJXACL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002774
CC1=CN=C1C(=C)C(C)(C)C	PC-id_143853814	149.233	AMEGIRPGHFJYHY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002775
CC(C1=CC(C1)/C=CC=C)N	PC-id_137428020	149.233	QWXBOSCHNJSNGA-PLNGDYQASA-N	00001100000000000000000000000000000000000000000000000000	06-01-002776
CC(C1=C[C@@H](C1)/C=CC=C)N	SCHEMBL20663753	149.233	QWXBOSCHNJSNGA-AOVULCPKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002777
CCCCC(C1=CCC1)C#N	SCHEMBL9295500,PC-id_88442184	149.233	CSEWYLVLEZBMJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002778
CCCCCC1=C(CC1)C#N	SCHEMBL9295503,PC-id_88442185	149.233	FSKFYONCWNTPBC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002779
CCCN(C1C=C=C1)/C=C/C	SCHEMBL21120793,PC-id_138739969	149.233	AYHOESMVKVNNIG-FPYGCLRLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002780
CCCNC1=C(C)C(=C)C1=C	PC-id_143280000	149.233	QUXWJFVVZMOOLR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002781
CC=NC1=C(C(C1C)C)C=C	PC-id_143716029	149.233	CFHVKDDUXQJDQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002782
C1([C+](C(=C1C)C)C)(CC=C)C	PC-id_14001447	149.253	LMLWTQVICCNHDS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002783
CC1C=CC1C(C)[C-]=C(C)C	PC-id_90754596	149.253	JWQVOSUFWYXGOM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002784
C1=C(C(=N1)S(=O)Cl)[O-]	PC-id_154424960	149.942	WMSJMAFZDSADHJ-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-002785
C1CC(=C1CCl)CCl	PC-id_163781509	150	MOYPXRDVNYAPPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002786
C1=C(C(=[NH+]1)C=O)C(F)(F)F	PC-id_163928682	150.016	RGTSQCUUGYNRJB-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-002787
C1=C([C-]=N1)OCC(F)(F)F	PC-id_153915845	150.017	MHFPPCXJTAVZMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002788
C1C=CC1C(=O)C(F)(F)F	PC-id_147631939	150.029	GFWPZEKUCNJRKC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002789
C1(=C(C(=O)C1=O)OF)OF	PC-id_90995541	150.037	CHOFBLDCZCGHBQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002790
CC1=CC(C1)CC(F)(F)F	PC-id_153669939	150.066	RNGMSBOFXQYYJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002791
CC1C=C(C1C)C(F)(F)F	PC-id_163886802	150.066	PYBFWSJPRSBZSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002792
C/C=C
/C(=C(C1=O)C=C)OC	PC-id_153445570	150.068	SCNNIICXKKLEIT-FNORWQNLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002793
C1CC2(C1)CCN2C3=NCC3	PC-id_148636446	150.116	NJEBKIRNPVLKCK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002794
FC1(F)C(OC)C=C1OC	PC-id_21731915	150.123	GCBYQAULXQNFBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002795
C#CC(C1=C(O)C(=O)C1=O)C	SCHEMBL16171906,PC-id_117649627	150.131	ZDENFCIFPVXCBR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002796
C#CCCC1=C(O)C(=O)C1=O	PC-id_144561818	150.131	DYYPLVMOBFURMV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002797
C1CC(=C1)C(N=C=O)N=C=O	PC-id_88461292,SCHEMBL9422255	150.135	WMWBSZLQOKISPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002798
O=C=NC1=C(CC1C)N=C=O	PC-id_54135885,SCHEMBL8968075	150.135	NXQYIOHPXFTGRB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002799
S(=O)(=O)(OC1=CCC1)O	PC-id_24822041	150.153	GNLSLZMKUUNQSI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002800
CCC1=C(C(=O)C1=C=O)CC	PC-id_134874553	150.174	SIPKUHHHGVKGKV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002801
OC1(C(=C(C1=O)C)C)C#CC	PC-id_14813454	150.174	OTVNZANYRJNCJP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002802
O=C(C1=CC=C1)OCC(=C)C	PC-id_140293201	150.175	AZEXDCRFRSGBQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002803
CC(C#N)NC(=O)C1=CCC1	EMOLS-id_96091405	150.178	FRNYOKNBIGFZMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002804
C[C@@H](C#N)NC(=O)C1=CCC1	EMOLS-id_96253858	150.178	FRNYOKNBIGFZMZ-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-002805
C[C@H](C#N)NC(=O)C1=CCC1	EMOLS-id_96255478	150.178	FRNYOKNBIGFZMZ-ZCFIWIBFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002806
CN(C(=O)C1=CCC1)CC#N	EMOLS-id_265113468	150.178	SBYWHXJKTJIGSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002807
C=CCC1=C(CC1)OCC=C	PC-id_90721686	150.218	XJPJDAVKPCWOFV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002808
O=C1C(=C(C1)C)CCCC=C	PC-id_14062867	150.218	TVZRIWVOMQJBCM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002809
O=C1CC(=C1)CC(CC=C)C	PC-id_72828450	150.218	ZJWATTNLGQJFBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002810
O=C1C(=C(C1=C)C(C)(C)C)C	SCHEMBL18213670,PC-id_122676849	150.218	MMZFUQPOIZBKNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002811
O=C1CC(=C1)C[C@H](CC=C)C	PC-id_11389484	150.218	ZJWATTNLGQJFBZ-QMMMGPOBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002812
O(C(C)(C)C=C)CC1=CC=C1	PC-id_10957207	150.218	GJQZJGCSCXUECL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002813
CC(/N=C/C1=CC=N1)CCC	SCHEMBL16361408	150.221	VRBAZQWIFRWUFE-YRNVUSSQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002814
CC(N=CC1=NC=C1)CCC	PC-id_117792187	150.221	VRBAZQWIFRWUFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002815
CCN/N=C(/C1=C(C=C1)C)C	PC-id_139381909,SCHEMBL21236588	150.221	LLCAROBFGJSDBS-DHZHZOJOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002816
N1CC(=C1)N(C1CC1)C1CC1	PC-id_145736836	150.221	OFRXYPGNZQQVQT-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002817
C1CC(=C1/C=C/CCCC)C	PC-id_10511012	150.261	TWLJZOYJHKKZFI-VOTSOKGWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002818
C1(CC(=C1)C)C(=C)C(C)(C)C	PC-id_13949258	150.261	NGAMTLZKMRWWCF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002819
C1CC(=C1C=CCCCC)C	PC-id_85166647	150.261	TWLJZOYJHKKZFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002820
C1(=CC(=C(C)C)C1)CCCC	PC-id_10261257	150.261	AAPLPBVHRAUMCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002821
C(C1=CC(C1)C(=C)C)(C)(C)C	PC-id_13949254	150.261	CNIDJMKWOKWNNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002822
CC1C=CC1C(C)C=C(C)C	PC-id_90754597	150.261	ANARVGJIEIXRIX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002823
CC1=C(C(C1)C(C)C)CC=C	PC-id_91041720	150.261	ZUVMJTCMDXBJFZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002824
CC1=C=CC1CCCC(C)C	PC-id_91494521	150.261	ZDQKWLBEQHTQKJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002825
CCC1=C(CC1)CCCC=C	PC-id_91103624	150.261	VHMNUBFOUBALQC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002826
CCC1=C(C(C1=C)(C)CC)C	PC-id_91112734	150.261	YAPNKOJOLSIUHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002827
CCC1=CC(=C1)CC(C)(C)C	PC-id_91278016	150.261	LMDJWRBSVCTLIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002828
CC(=CC1C(=CC1(C)C)C)C	PC-id_121218572	150.261	XNZMJCLGYFCDOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002829
CC/C=CC1=CC(C1)CCC	PC-id_143940965	150.261	VNDMCNDGYBVIQM-ALCCZGGFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002830
CC/C(=C/CC1=CC(C1)C)/C	PC-id_143374732	150.261	MNDPYQHXJHZUFP-WEVVVXLNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002831
CC(C)(C)CC(=C)C1=CCC1	PC-id_90817920	150.261	NNMWKYQDMSYPBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002832
CCCC(C)CCC1=CC=C1	PC-id_91097608	150.261	WOHZVUOBYLMOHG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002833
CCCC=CCCC1=CCC1	PC-id_91616615	150.261	XBXDHAUJCQDXSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002834
CC[C@H]1C=CC1CCCC=C	PC-id_143978527	150.261	JEDNYHPZSTYXOB-VUWPPUDQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002835
C1=[C+]C(=N1)S(=O)(=O)Cl	PC-id_90770425	150.564	JUFGWGALHDWNIK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002836
[B]NC1=C(C(=O)C1=O)OCC	PC-id_87524745	150.928	LNUDSJZMRDBFAN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002837
ClC1=C(Cl)C(=O)C1=O	MCULE-4179567999,SCHEMBL2581051,EMOLS-id_6202207,ZINC22_6090864,TIMTEC462410,PC-id_123176	150.948	SXOQOOQUBDERIZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002838
C1=C(C(=N1)S(=O)Cl)O	PC-id_154424961	150.949	WMSJMAFZDSADHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002839
ClC1(Cl)C(=CC1=O)C	PC-id_45119037	150.991	OGCSDRGPUBVQHY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002840
ClN(Cl)C1=NC=C1C	PC-id_86107413	150.994	UPLKAZDYJZDEML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002841
C1C=CN1S(=O)(=O)CF	PC-id_154392771	151.01	UWVGBLVNXCDTSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002842
C1=C(C=N1)OCC(F)(F)F	PC-id_153915846	151.024	CVEPQNYEWZEKKJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002843
CC1=C(C(C1Cl)Cl)C	PC-id_85615830	151.034	MREXJAUBLJXJLS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002844
CC1(Cl)C=CC1(C)Cl	PC-id_119098061	151.034	XFUFVPHTWGYWDH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002845
ClC1(CC(=C1Cl)C)C	PC-id_86037570	151.034	NKSZLGIPNNEFEF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002846
ClC(C1=CC(C1)C)Cl	PC-id_100988903	151.034	XIQNUYWUHCMFEA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002847
ClCC1C(C=C1)CCl	PC-id_12649479	151.034	XQLUHMVJMYRZJL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002848
ClC[C@H]1[C@H](C=C1)CCl	PC-id_12649480	151.034	XQLUHMVJMYRZJL-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002849
FC1=C(F)N=C1C(=O)OF	PC-id_21488685,SCHEMBL11831211	151.044	OROHIIJXVPDPBS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002850
C1=C(C(C1(F)F)(F)F)C#N	PC-id_87311626	151.062	FMSNWXCJRZDXOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002851
CNC1=C(F)C(=O)C1(F)F	PC-id_119096938	151.087	ORJUWOCPFWQHGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002852
C[C@H]1C(C=C1O)C(C)(C)C#N	PC-id_147187564	151.1	CAUDZPXUERGAEL-PKPIPKONSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002853
C[C@H]([C@]1(C=CC1C#N)C)OC	PC-id_163956300	151.1	SDQZUIIIOHQZPN-PSGOWDBMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002854
C[C@@H](C1=CC(C1)C#N)NCN	PC-id_163564372	151.111	FTYFZIKWEIDWJS-PKPIPKONSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002855
N#CCCC1=C(O)C(=O)C1=O	PC-id_144561826	151.12	NMLBZAYQJMSJES-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002856
O=C1C(=C(N)C1=O)C(=O)C=C	PC-id_14952256	151.12	LATGFAKEMYTLSA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002857
CC1CC(=C1)C(=NC(C)C)C	PC-id_155050593	151.136	HEGJRSHCTIPNQI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002858
CCC1(CC1)[C@@H](C)C1CN=C1	PC-id_164097334	151.136	XLKXBKRAASZKTN-IENPIDJESA-N	00101100000000000000000000000000000000000000000000000000	06-01-002859
C/C=C(C)/C1(C=CC1(C)N)C	PC-id_155197271	151.136	RLPSOUSTFGBKGY-VMPITWQZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002860
CCCCC1C(=CC1=N)CC	PC-id_163992655	151.136	UBZJLSNNYLRGQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002861
CCCCNCC1=C=C(C1)C	PC-id_163918257	151.136	QYEDTWNQYLFNIU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002862
S(=O)(=O)(O)C1=NCC1O	PC-id_53679501	151.141	BFPCQJNZJNZXDS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002863
C1CC1CNC1=CC(=O)C1=O	PC-id_91095502	151.163	UHZYAQDRSNBFFQ-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-002864
CC1=C(C(=O)C1=O)NC1CC1	PC-id_88979721,SCHEMBL12927209	151.163	ZZQVWKRAXPXCPP-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-002865
C=CC1=C(CC)N=C1C(=O)O	SCHEMBL4198321,PC-id_21805412	151.163	HWFHFPDBIIONLQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002866
CCC=CC1=CN=C1C(=O)O	SCHEMBL4198323,PC-id_87633134	151.163	NVNGOMDTCZXPQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002867
CCC=CC1=C(N)C(=O)C1=O	PC-id_142659164	151.163	BQFSBJOEKJQEQS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002868
C/C=C/CNC1=CC(=O)C1=O	SCHEMBL10867292	151.163	DIHFJLWGOQNLML-NSCUHMNNSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002869
CC(C#N)OC(=O)C1=CCC1	EMOLS-id_265115100	151.163	WVUGVSFGSMGXQG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002870
C=CCOC(=O)CC1=NC=C1	PC-id_69742397,SCHEMBL6324137	151.163	PIXKYKFBRWPJAT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002871
O=C1C(=CC1=O)NC1CCC1	PC-id_143205073	151.163	DGLHRASDFOJMHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002872
O=C1C(=CC1=O)NCC=CC	PC-id_56620432	151.163	DIHFJLWGOQNLML-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002873
OC(=O)CC1=NC=C1CC=C	PC-id_69742816	151.163	WVAQZAHHXDGSOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002874
CC1CC(=C1)C(=O)N1CC1C	PC-id_87840106,SCHEMBL5473470	151.206	VNNUYGAAVJZADP-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002875
C[C@@H]1C[C@H]1NC(=O)C1=CCC1	EMOLS-id_96802292	151.206	RLHUESJWSXHCOD-HTRCEHHLSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002876
CC(N(C1=CC(=C)C1=O)C)C	SCHEMBL16803981,PC-id_118148033	151.206	CPRZHSRXWNZROZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002877
CC(NC1=C(C)C(=O)C1=C)C	PC-id_142311398	151.206	YICXIOCDLPYTJV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002878
CN(C(=O)C1=CCC1)C1CC1	EMOLS-id_107192850	151.206	BWRCJCMBVSMICI-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002879
CN(C(=O)C1=CCC1)CC=C	EMOLS-id_265115946	151.206	SJBBDVFTCUUAEJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002880
N=COC1=C(C(C1C)C)C=C	PC-id_143715985	151.206	NVMMWYRQPXIEOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002881
OC1C(=C)C(=C1NC1CC1)C	PC-id_143280225	151.206	YSRYWNFWWLGQDB-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002882
O=C(C1=CCC1)NC1(C)CC1	EMOLS-id_96110301	151.206	KYHJBZWUSWSXOG-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002883
O=C(C1=CCC1)NCC1CC1	EMOLS-id_96318603	151.206	CLCREKNVYFMIOU-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002884
O=C(C1=CC(=C)C1N(C)C)C	PC-id_13183641	151.206	DXTICJSJORDOIE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002885
O=C(N1CC=C1)CCCC=C	PC-id_15710283	151.206	UGXVHLNXXAWGRY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002886
CC1CC(=N1)CC1=NC(C1)N	PC-id_89935547,SCHEMBL15431068	151.209	DDNMTLNUNBCRAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002887
CC1=C(NC1)/N=C(C)/C=CN	PC-id_134243895	151.209	DMILBLOHFBNEQA-CCBPTBINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002888
C=CC(C1=CCC1)N=C(N)N	SCHEMBL7539280,PC-id_88157541	151.209	KHZGVUAMUXMVCC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002889
CCCCC1=C(N)C(=N)C1=N	SCHEMBL12432560,PC-id_59755504	151.209	TZEHSLWRGJDQLT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002890
C/C(=CC=N)/NC1=C(CN1)C	SCHEMBL19853362	151.209	LXKIOZQKRSVFIF-BMSPAZDGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002891
C=CCN(C1=CCC1)C(=N)N	PC-id_88157542,SCHEMBL7539283	151.209	SBKQZRXGCKGUFV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002892
C=CCN=C(N)NC1=CCC1	PC-id_88157543,SCHEMBL7539287	151.209	GCMLXVQMZRQWME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002893
N(CC1=NCC1)CC1=NCC1	PC-id_57644434	151.209	ONPNBJBZGKGYOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002894
CC1=CC(=C1[C@@H](C)C(C)C)N	SCHEMBL20290732,PC-id_135143600	151.249	XHGDNYHFFPXFFP-QMMMGPOBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002895
CC(C1(N)CC1)C1=CC(C1)C	SCHEMBL18869794	151.249	DSNLOHTXEJGPAB-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002896
CC[C@](C=C1CC=C1)(CN)C	SCHEMBL9998128	151.249	WDYFWHACKURWAH-SNVBAGLBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002897
CCC(C)(CN)C=C1CC=C1	PC-id_88547383	151.249	WDYFWHACKURWAH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002898
C1C(=NC1=O)S(=O)Cl	PC-id_88746313,SCHEMBL11228759	151.571	BBSSSFVRIRSSIB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002899
C1C(=O)C(=N1)S(=O)Cl	SCHEMBL11230281,PC-id_88746544	151.571	PNCXBFGAHRMJPQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002900
F[As]1(=CC=C1)F	PC-id_102305040	151.974	IMQRDCLPOCKAMT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002901
ClC1(Cl)C(N=C1C)C	PC-id_24972549	152.022	TZWDPPCVCLLKBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002902
COC(C1=CCC1F)(F)F	PC-id_155262141	152.045	JCWTZXBAGWXALQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002903
FC(=C1C(=C(C1=O)F)F)F	PC-id_140104477	152.047	DHXXXZGHHXNOKP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002904
CC(=O)C1=NC(C1)C(=O)N=C	PC-id_163748643	152.059	LOBUJJCFBVVIBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002905
COC1=C(F)C(=O)C1(F)F	PC-id_21529354,SCHEMBL11848329	152.071	PRNHHQNIOADGDD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002906
FC1(F)C(=C(OC)C1=O)F	PC-id_45119048	152.071	BFYAWTVVDBKIEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002907
Cl[Si](Cl)C1=CCC1	PC-id_23016491	152.074	VRACWLQEHVJMEN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002908
CC1(C(=CC1=O)C=COC)C	PC-id_154237363	152.084	MHWFDPNQNFKTFD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002909
C=CC1=CC(C1(F)F)(F)F	PC-id_119098400	152.09	AXAUEHUNPJQJFK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002910
N#CC1=C(C(=C1C#N)C#N)C#N	PC-id_71446193	152.112	MGZGUCBDYVJZTL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002911
CCOC1=C(C(C1)(F)F)F	PC-id_119098314	152.114	AZBOCJVALDEBFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002912
CCOC1(F)C=CC1(F)F	PC-id_119098235	152.114	PKXFDSUZKYXPPN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002913
FC1(F)C(OCC)C=C1F	PC-id_21731916	152.114	NMRNZBMFPNDEKT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002914
FC(F)(F)COC1=CCC1	PC-id_12820043	152.114	DQLIWFPDEGUDFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002915
CC1=C(C(=C1C)C(=O)O)C=O	PC-id_89222205,SCHEMBL14000062	152.147	ZMSWWTOUUIZEHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002916
C=CC(=O)OC(=O)C1=CCC1	PC-id_88749126,SCHEMBL11248083	152.147	LGAXUGVKOIFQQI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002917
CCOC1=C(C(=O)C1=O)C=C	SCHEMBL19165327	152.147	GKHMHFSPNOHTDS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002918
O(C1=C(CC=C)C(=O)C1=O)C	PC-id_85617882	152.147	XNVQJEKGSXEHPN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002919
O(C1=C(C(=O)C1=O)C(=C)C)C	PC-id_14112427	152.147	DGPRVVQPFPFHDJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002920
OC(=O)C(=C)C(=O)C1=CCC1	PC-id_145597021	152.147	SZWWXHRXMLCOFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002921
C=CCNC1=C(N)C(=O)C1=O	PC-id_142659018	152.151	BJPSLJUKINLROZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002922
O=C1C(=C(C1=O)NC1CC1)N	PC-id_141024912	152.151	VCXOYYSDYRGOLJ-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-002923
CCCC1C(=C([N+]1=[N-])[N+]#N)[O-]	SCHEMBL6743823,PC-id_88036230	152.154	DHJFQSRWODWWHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002924
CC1CC1C(=O)OC1=CCC1	SCHEMBL7582774,PC-id_88166417	152.19	GUSUWSKCQNHIMW-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-002925
CC1=C(C(C1=O)C(=C)C)OC	PC-id_134877714	152.19	NYYHOCHNPZCUEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002926
CCCCCC1=CC(=O)C1=O	PC-id_11819225,SCHEMBL7587722	152.19	TXOZPCNORCJKCA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002927
CCC=CCCC1=CC(=O)O1	PC-id_140381823	152.19	AHTQCZQSYSDFEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002928
CC=CCOC(=O)C1=CCC1	EMOLS-id_313765450	152.19	RGNKJQHAFDIIDY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002929
CC(=C)COC(=O)C1=CCC1	EMOLS-id_313765706	152.19	WZJJWTNSPLHCQI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002930
CC([C@@H]1C=C[C@H]1C(=O)O)C=C	PC-id_102201646	152.19	NKHWNFFALXVTGG-ZHFSPANRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002931
C=CCOC(=O)CC1=CCC1	PC-id_87784710,SCHEMBL5137766	152.19	IVIIRRNXGIHYIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002932
C[C@H]1C=C[C@H]1CC(=C)C(=O)O	SCHEMBL16846228,PC-id_118183024	152.19	BVHCOCUABADHPL-XPUUQOCRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002933
COC1=C(C(=O)C1=C)C(C)C	SCHEMBL17532554,PC-id_118895070	152.19	HRCOHGHIDWPGAC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002934
O=C1C(=C(C1=C)C(C)(C)C)O	SCHEMBL16450988,PC-id_60011989	152.19	KKGDHAMXROBTIK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002935
O=C1C(=C(C1=O)C)CCCC	PC-id_14140291	152.19	WUYQWJLYODCTDB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002936
O=C1C(=C(C1=O)C)C(C)(C)C	PC-id_14140292,SCHEMBL14284051	152.19	ZTEVHZHPGFPUGK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002937
OC1=C(C(C)(C)C)C(=O)C1=C	PC-id_18735561	152.19	XZXOVMMLARGQLC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002938
O(C(=O)C1=CC(=C(C)C)C1)C	PC-id_24975497	152.19	XSFHMETZGHRHMG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002939
C1=C(C=C1C=C1C=C1)C=C1C=C1	PC-id_101063584	152.192	OPCSTTLLZFATMG-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-002940
CC(C)NC1=C(C(=C)C1=O)N	SCHEMBL15982097,PC-id_90365579	152.194	VJMSKXGFGBMULB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002941
CCNN=C1C(=C(C1=O)C)C	PC-id_91136668	152.194	XALQHSAGYYFHHC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002942
C/C(=C(C(=N)N)/N)/[C@H]1CC=N1	SCHEMBL18474262	152.197	SJRONAFRJQJDCW-WEWOIACBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002943
CC[C+]1C(=C(C1=O)C=C)[S-]	PC-id_136446958	152.214	JSDFRHYQAPNOHC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002944
CCC1=C(C(=C=C)C1=O)S	PC-id_89102374	152.214	KLQDAIUSVQLGGE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002945
CCC1=C(O)C(=C=C)C1=S	SCHEMBL13497308	152.214	WTGDLSDDDKDWSG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002946
CCCCCC1=C(C(=O)C1)C	PC-id_134873950	152.233	OBUZMYBKJFCZNL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002947
CCC(CC=C1OC=C1C)C	PC-id_88813981,SCHEMBL11665407	152.233	WGHHOHQOFHKHQT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002948
CCC(C(=O)C1=CCC1)(C)C	SCHEMBL19069283	152.233	KPOOSEUYAMKWIE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002949
CC(C(O)(C)C)(C1=CC=C1)C	PC-id_145334973	152.233	VWCKXNOENMNAMT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002950
O=C1C(C(=C1)C(C)(C)C)(C)C	PC-id_13382757	152.233	BRFCAOUUJYAKQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002951
O=C1C(=C(C1)CCC)CCC	PC-id_13840282	152.233	GWGCKTZGDHRKBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002952
O=C1CC(=C1)CCCCCC	PC-id_71427614	152.233	GSBYNCPDTUBGDG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002953
O=C1C(C(=C1)CCC)CCC	PC-id_85539201	152.233	QMNPPBSBIUELDU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002954
O=C(C1=C(CC1)CCCC)C	PC-id_14200226	152.233	ZVDDBASJKSQYOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002955
OCC1(C(C=C1C)C)C(=C)C	PC-id_21721524	152.233	LYEVBIMSBBMQRR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002956
O=C(C1=CCC1(CC)CC)C	PC-id_85929420	152.233	UQGQMJBATKNCQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002957
O=C(C1=CC(C1(C)C)(C)C)C	PC-id_85929432	152.233	MICGKNVUSLJKDT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002958
O=CCCC1=C(C(C1)(C)C)C	PC-id_101929840	152.233	OYECBPPEJYOTSU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002959
O=CCCC1=C(C)CC1(C)C	PC-id_101929839	152.233	KICUYBPZKBXNRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002960
CC1(C(=C(C1(C)C)N)C=N)C	SCHEMBL14399502,PC-id_89326808	152.237	MDLXPXBJEPAONG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002961
CC=NC1=C(C(C1C)C)NC	SCHEMBL14154821,PC-id_89263323	152.237	HWAHGAHANMYKOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002962
CN(N1CC=C1)C/C=CCC	PC-id_138481142,SCHEMBL20828292	152.237	UYRXJZGSSDAHBI-PLNGDYQASA-N	00001100000000000000000000000000000000000000000000000000	06-01-002963
CC#CC1=C(C)SC1(C)C	PC-id_102433742	152.257	ACSANEZDQMIHIM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002964
C1(=C(CC1)CC)CCCCC	PC-id_13264812	152.276	JUYUAQVEMYAJBP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002965
CC1C=C(C1C(C)C(C)C)C	PC-id_91135465	152.276	WTGIBCTZVBDDHY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002966
CCCC1=CC(C1(C)C)(C)C	PC-id_134993494	152.276	XMFIGKMRZHHWFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002967
CCCC1CC(=C1)C(C)(C)C	PC-id_90786581	152.276	KVTDUVPOBJNKAY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002968
CCCCC1CC(=C1)C(C)C	PC-id_91361546	152.276	SQLXKEGVCGOHJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002969
CCC(C)C(C)C1CC(=C1)C	PC-id_90730946	152.276	VETVTYROGWLSMG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002970
CCC(C)C(C)C1=C(CC1)C	PC-id_90944402	152.276	GBJUNHNVOMZOTE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002971
CC(C(CC)C)CC1CC=C1	PC-id_143332054	152.276	ITZUSGGJUXNKPC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002972
CC(C)CC(C)CC1CC=C1	PC-id_91215718	152.276	XJIXUPMWWBPVRG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002973
C1CC(=C1)O[Cl](=O)(=O)=O	PC-id_88694318	152.533	WJHXHCGSBRSBJT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002974
CCOC1=C(C(=O)C1=O)NB	SCHEMBL3418373	152.944	PHWQFZLCSVLNNX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002975
C1(C(=C(C1=O)Cl)Cl)O	PC-id_89013216,SCHEMBL13076603	152.963	YCUAVYNBPVTTBR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002976
CCOC(=O)C1C(=[N+]=[N-])C=N1	PC-id_164106389	153.054	XTDPMTFWVMDTNE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002977
C1(C(=C(N1F)F)F)C(=O)O	PC-id_87643959	153.059	CVCDWZLYVWDUMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002978
FC1N(F)C(=C1F)C(=O)O	SCHEMBL11831205,PC-id_23165373	153.059	JUMUKIJHKGYWMA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002979
CC(C)NC1=C(C(=O)C1=C)O	PC-id_164979190	153.079	GPTMVHIOZQUTEW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002980
CC1=C[Si](C1)(Cl)Cl	SCHEMBL8949400,PC-id_54133187	153.082	NVUMIKJJRLFUHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002981
Cl[SiH](C1=CCC1)Cl	SCHEMBL4263488	153.082	PDHFRITYIPUADB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002982
CCC(CNCC1=CN=C1)N	PC-id_163554498	153.127	FLWDFHJCQXXNMG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002983
C/C(=C
/C(=NC1=O)C(=O)C)/O	PC-id_136467307	153.135	DOUNDJKVPPVNKQ-HWKANZROSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002984
C=CCNC1=C(C(=O)C1=O)O	SCHEMBL13092200,PC-id_89017851	153.135	JXXPQDHTECLUBK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002985
CCC(=O)C1=C(N)C(=O)C1=O	PC-id_142659177	153.135	CYQGJXZADBZXDL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002986
CCNC(=O)C1=CC(=O)C1=O	SCHEMBL9452548,PC-id_54199108	153.135	PNYROVRVQFHMBO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002987
CC(=O)C1=C(NC1=O)C(=O)C	PC-id_88651670	153.135	FVAMHUFXSUROJE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002988
O=C1C(=C(C1=O)NC1CC1)O	EMOLS-id_32842040,MCULE-8513844695,PC-id_56684980	153.135	WXXURCJZAYBMGI-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-002989
O=C1C(=CC1=O)NC1COC1	PC-id_140958185	153.135	FOKBEMFPLTYXIV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002990
O(C1=C(N)C(=O)C1=O)CC=C	PC-id_85682034	153.135	AUZPOFZUMLUBAM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002991
CC1CC(=C1CCCNC)C	PC-id_163572009	153.152	GAEHPWGGZCLMTQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002992
CCCNC(CC)C1CC=C1	PC-id_164007249	153.152	UOCKNAIUIOGPJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002993
CCN1CC=C1C(C)C(C)C	PC-id_163815758	153.152	NRELCKNGBWFXHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002994
CCCC1C(=C([N+]1=[N-])[N+]#N)O	PC-id_88036231	153.162	DHJFQSRWODWWHQ-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-002995
CC1=C(C(=O)C1=O)NC(C)C	SCHEMBL13887506,PC-id_89194263	153.178	RBJHNOIFMAZMIL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002996
C=CC1CC=C1C(=O)NCO	SCHEMBL8977130,PC-id_88393872	153.178	SMIZPVNCDDIREW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002997
CCC1=C(C(=O)C1=O)NCC	PC-id_87415333,SCHEMBL2632906	153.178	YGNFVJNFDDNCRS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-002998
CC(CC1=CN=C1C(=O)O)C	PC-id_22104812,SCHEMBL9350299	153.178	AETPYUMHIUNWRY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-002999
CC(C)(C)C1=C(C(=O)C1=O)N	SCHEMBL8281729,PC-id_88274104	153.178	NRVDVTUGVITNPY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003000
CCCCC1=C(N)C(=O)C1=O	PC-id_142659116	153.178	DILLMDBTLAGRBM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003001
CC(C)CNC1=CC(=O)C1=O	PC-id_89374989	153.178	PXHJGFHHWANXST-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003002
CC(=CCOC1=CC(=N1)O)C	PC-id_67944893,SCHEMBL9860423	153.178	FCDFTPZOUHKYNN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003003
CC(C)NC1=C(C(=C)C1=O)O	SCHEMBL15982100,PC-id_90365582	153.178	WXRMVETUUUMILD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003004
CCCNC1=C(C)C(=O)C1=O	SCHEMBL8350246,PC-id_57987606	153.178	ORUBBKIRVVECHV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003005
C=CC(N)OC(=O)C1=CCC1	SCHEMBL5586542,PC-id_87859061	153.178	QJDTXBFPDDDXSH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003006
CC(COC(=O)C1=NC=C1)C	PC-id_140394961	153.178	GRDWEYAADUFCSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003007
CCN(C1=CC(=O)C1=O)CC	SCHEMBL20500904,PC-id_14740034	153.178	NFWLMJZHLNTLDM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003008
CC(NC1=CC(=O)C1=O)(C)C	SCHEMBL4188106,PC-id_15723187	153.178	REVLERRDMXONMX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003009
CC(OC(=O)CC1=NC=C1)C	SCHEMBL2406644,PC-id_67395212	153.178	INKIHBXLIXJGIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003010
CCOC(=O)CCC1=CN=C1	PC-id_138689938,SCHEMBL21063631	153.178	HDRPXKHEUATJRI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003011
CNC1=C(C(=O)C1=O)C(C)C	PC-id_57600943,SCHEMBL12899131	153.178	XRCYACGEIHRQIP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003012
CNC(=O)C1=C(C(=C1)C)OC	SCHEMBL20858531,PC-id_138507551	153.178	OULUGXOJOOALQK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003013
O=C1C(=CC1=O)NC(CC)C	PC-id_11159427	153.178	PJJNNDKQBGBPNC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003014
O=C1C(=CC1=O)NCCCC	PC-id_15723186	153.178	CODMFIMCYMUKIC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003015
O=C(C1=CC=N1)OC(C)(C)C	PC-id_70449898,SCHEMBL10815505	153.178	IDHZAUBARCYQQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003016
O(CCCC)C(=O)C1=NC=C1	PC-id_57124451	153.178	RDXWMVNONJHKMX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003017
OC(=O)C1=NC=C1C(C)(C)C	PC-id_23213875	153.178	OECHBPOPQCWUNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003018
OC(=O)C1=NC=C1CCCC	PC-id_53763719	153.178	DJSPVBWLAAHNCJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003019
CC1C(=CC1=O)NCCCC	PC-id_143280272	153.221	QGNXILWZFIYWTM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003020
CC1C=CN1C(=O)C(C)(C)C	SCHEMBL18419786	153.221	CNOMPFDOWNRGIR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003021
CC(C1=C(CC1)CC(=O)N)C	PC-id_122578007,SCHEMBL18100593	153.221	DOVUIZHJXACTJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003022
CCC1=C([C+](C1=O)C=C)S	PC-id_136446959	153.221	JSDFRHYQAPNOHC-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-003023
C/C=CC1=C([C@@H](N1)CC)OC	SCHEMBL21215645	153.221	UZUJGYPBXLLNHZ-NGAMADIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-003024
C/C=CC1=C(C(N1)CC)OC	PC-id_139363875	153.221	UZUJGYPBXLLNHZ-XQRVVYSFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003025
CC(CNC(=O)C1CC=C1)C	PC-id_141170408	153.221	CMOYYEIROGNLMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003026
CN(C1=C(C(=C(C)C)O1)C)C	PC-id_101337496	153.221	QRXUIHFYRFQUOD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003027
CN(C1=C(C)C(=O)C1(C)C)C	PC-id_101337494	153.221	HCKWKKUTBHBQCN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003028
CC1C(C=C1C)C(C)CN=O	PC-id_88992259,SCHEMBL12969161	153.222	OGNYLVUCHGIRQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003029
CC(CNC(=O)C1=CCC1)C	EMOLS-id_96486524	153.222	UDGNWRURWRWWRK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003030
CCN(C(=O)C1=CCC1)CC	EMOLS-id_265123161	153.222	SIVFBCFHMWXEAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003031
CC(N(C(=O)C1=CCC1)C)C	EMOLS-id_265123760	153.222	AMUIEVAKCOQCPC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003032
CC(NC(=O)C1=CCC1)CC	EMOLS-id_96111359	153.222	IKWQBVOMFAOXMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003033
CN(C(=O)C1=CCC1)CCC	EMOLS-id_265123216	153.222	NKPTZDOVMFUMMA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003034
O=C(C1=CCC1)NC(C)(C)C	EMOLS-id_96486231	153.222	ZQWLTKNLWQNMCS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003035
CCC1=NC(=C1)SCC=C	SCHEMBL11017250,PC-id_70492942	153.245	ABIYYQIDCKUUPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003036
CC1C=C(N1C)CC(C)(C)C	SCHEMBL20418879,PC-id_135258022	153.265	FWLIYLOQRHTEOI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003037
CCCC1(CC)NC(=C1)CC	SCHEMBL18950780	153.265	CFBCCFXPNADUON-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003038
CCCC(C(C1CC=C1)C)N	SCHEMBL361584,PC-id_87096350	153.265	GCLNPPZWMIEMNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003039
CC(C(C)(C)C)NC1=CCC1	PC-id_139970647	153.265	NZIYQNZZXLOEOL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003040
CC(C)(C)N(C)CC1CC=C1	PC-id_90244846,SCHEMBL15829131	153.265	BICUGLWAOSWNEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003041
C[C@@H](C(CC)(N)C)C1CC=C1	SCHEMBL18652567	153.265	XQNLVIUAJSDKSO-XNWIYYODSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003042
C1C[N+](=C1S(=O)Cl)[O-]	PC-id_88746546,SCHEMBL11230284	153.587	BTZYCPZGQIVLHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003043
ClS(=O)C1=NCC1O	PC-id_54071699	153.587	MGXASZJFOKVBKM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003044
[In]1=CC=C1	PC-id_57504139	153.874	GIEPWYQHZFTLFS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003045
CCOB(C1=CCC1)OCC	PC-id_141481613	154.014	WATJQCNAMSWZST-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003046
C1=C(C(=O)C1=O)NCCCN	PC-id_155278370	154.074	KQXADFTUGCRQCL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003047
N#CNOC1=C(O)C(=O)C1=O	SCHEMBL19210833	154.08	YSEATWIOQIPEKP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003048
CC1=C(C(=S)C1)C(C)(C)C	PC-id_153551371	154.082	QRNQRUUCZOVWFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003049
CC(C)(C)OC(=O)N1[CH-]C=C1	PC-id_153937730	154.087	WYQOJHITWCKYPM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003050
CC1=C(C)C(C1(F)F)(F)F	SCHEMBL11391708,PC-id_21731275	154.105	HMPJLDXPHAEXMX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003051
FC1(C(F)(F)C(=C1C)F)C	PC-id_20668717	154.105	YBMRHVHSKSIWNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003052
FC1(F)C(=CC1(F)F)CC	PC-id_13759158	154.105	FEUWBEXZSRVJFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003053
C1CC(=C1)C(=O)NCCCN	PC-id_165402319	154.111	KJVLOJQEZQKXTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003054
CN(C)CCOC1=C(C=C1)N	PC-id_154974297	154.111	AKHCDMBNCGFDAL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003055
C=CCOC1=C(C(=O)C1=O)O	PC-id_88028452,SCHEMBL6688316	154.12	DEZURUFIDGBAFP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003056
N#CC1(C=CC1(C#N)C#N)C#N	PC-id_102572842	154.128	JLVVWWRTNQIURZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003057
N#CC1(CC(=C1C#N)C#N)C#N	PC-id_57132690	154.128	DWPBCXPNBLCNMO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003058
CC(C)CC1(CN=C1)CNC	PC-id_163534563	154.147	DVVRZECQIOGJSW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003059
CC1CC(=C1CCC[NH2+]C)C	PC-id_163572008	154.159	GAEHPWGGZCLMTQ-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-003060
C1(=O)C=C(OCCCC)C1=O	MCULE-3274813844,SCHEMBL7915503,PC-id_15723182	154.163	OVWXIDGLNIMGIR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003061
CC1=C(C(C1)C=O)C(=O)OC	PC-id_122535945,SCHEMBL18071880	154.163	SJEYAJZBECDCLH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003062
CC1=C(OC(C)C)C(=O)C1=O	PC-id_10820771,ZINC22_43198619,SCHEMBL1057083	154.163	OZOYNWQSFNTBNE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003063
CCCCC1=C(O)C(=O)C1=O	PC-id_14562973,SCHEMBL12432424	154.163	VYBAQOIQQCVXMW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003064
CC(=C)C(=O)OCC1=COC1	PC-id_89075564,SCHEMBL13375784	154.163	AARMLMDQWSDGMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003065
C=CCOC(=O)C1=C(CC1)O	PC-id_88505043	154.163	ZYAOOSMTBBFVIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003066
C=CC(O)OC(=O)C1=CCC1	SCHEMBL8677968,PC-id_88345123	154.163	FXMGGXQJFLVPFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003067
CCOC1=C(C(=O)C1=O)CC	SCHEMBL8239351	154.163	FJSJEILQRVHCRM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003068
CC(OC1=C(O)C(=C)C1=O)C	SCHEMBL840081,PC-id_57665834	154.163	JJVKYAURFBJQEB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003069
CC(=O)COC(=O)C1=CCC1	EMOLS-id_313765194	154.163	PNCNSABJDGMEPJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003070
COC1=C(C(=O)C1=O)C(C)C	PC-id_10630715,SCHEMBL13918273	154.163	HETBRCDBVLXHEG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003071
COC(=O)C1CC(=C1)C(=O)C	EMOLS-id_337902865	154.163	BTSDMFAMEKTYNA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003072
O1C(C1)COC(=O)C1=CCC1	SCHEMBL432930,PC-id_17991658	154.163	ZNMBLBANFJJFCK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003073
O1C(CC2=C(CC2)C(=O)O)C1	PC-id_22074898,SCHEMBL724602	154.163	AWCVDAQQFCNLSX-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003074
O=C1C(=C(C1=O)C(C)(C)C)O	SCHEMBL15441098	154.163	CZSIFKATHRQYSF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003075
OC1=C(CC(C)C)C(=O)C1=O	PC-id_10241007	154.163	DDTFLOFQZYMEMO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003076
OC1=C(C(CC)C)C(=O)C1=O	PC-id_85617888	154.163	FOEZWZASYVHZOX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003077
O(C(C)(C)C)C1=CC(=O)C1=O	PC-id_10464526	154.163	ZURAENGLNSXLBM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003078
O(CCCO)C(=O)C1=CC=C1	PC-id_58916387	154.163	SAHWHVNXOUUVLL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003079
CC1=C([C@H](C1)C(=O)N)C(=O)N	CoCoCo_5656031,LI_78789	154.166	JIKMXYQKNMDKTB-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003080
CCCN=C1C(=C(C1=N)O)O	ChEMBL-DNDi_CHEMBL1495351	154.166	CTLQURROIMFEGU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003081
CNC1=C(C(=O)C1=O)N(C)C	PC-id_20712504,EMOLS-id_313488496,MCULE-5659268046,ZINC22_196716093,SCHEMBL12783912	154.166	SSCOKCRLVJSVJO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003082
COC1=CN=C1C(=O)N(C)C	PC-id_140011143	154.166	AXEQSQYPOYCENC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003083
NC(=O)[C@@H]1CC(=C1C(=O)N)C	NSC522120,CoCoCo_5656030	154.166	JIKMXYQKNMDKTB-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003084
O=C1C(=CC1=O)N(N(C)C)C	PC-id_10920721	154.166	OYEWEFFDLHGAAF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003085
O=C(N)C1CC(=C1C(=O)N)C	PC-id_351539	154.166	JIKMXYQKNMDKTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003086
C1(=C(C(=O)C1=O)N(C)CC)N	EMOLS-id_50896690,ZINC22_196716022,MCULE-9014993290,PC-id_20712498	154.167	XLQRZDPYFUZNEA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003087
C1(=C(C(=O)C1=O)N)NCCC	PC-id_2826639,EMOLS-id_5782663,MCULE-7815358022,ZINC22_100206460	154.167	BNXSOTNBHPGHGZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003088
CCNC1=C(C(=O)C1=O)NC	PC-id_16741072,SCHEMBL409684	154.167	GJWIPKPLSXAVRA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003089
CC(NC1=C(N)C(=O)C1=O)C	SCHEMBL10209850,PC-id_58686890	154.167	ICIPBQIZGJYPJY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003090
NCCNC1=C(C)C(=O)C1=O	PC-id_139376993,SCHEMBL21231246	154.167	ZBKKSGPSQHWUPZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003091
O=C(NN)C1=CN=C1N(C)C	PC-id_67918585	154.17	MKVSNORGELOIEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003092
CC1CC(=C1C)COC(=O)C	EMOLS-id_337900314	154.206	NOVNIKHOPKWSCD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003093
CC1=CC(C1)(C)COC(=O)C	PC-id_91998537	154.206	PTDQMHCLLWUAHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003094
CC1CC(=C1COC(=O)C)C	EMOLS-id_337900058	154.206	JIOOWXZSFAEWHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003095
CC1(CC(=C1)OCCC)C=O	PC-id_117905882,SCHEMBL16510174	154.206	QMYJBRTWCWJKFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003096
CC1=C(O)C(C1=O)C(C)(C)C	SCHEMBL17147394,PC-id_118423370	154.206	JJLONVABLAERKO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003097
CCC1=C(CC1C)C(=O)OC	EMOLS-id_337898271	154.206	AFFRWWIISDTADJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003098
CCC1=C(CC1C)OC(=O)C	PC-id_88099064,SCHEMBL7141825	154.206	BOSQOSSJLYXWFJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003099
CCC1=C(CC1)C(=O)OCC	SCHEMBL8966027,PC-id_88392390	154.206	FJQJQBXVIBQGLQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003100
CC(CC1=C(CC1)C(=O)O)C	PC-id_19063296,SCHEMBL1404342	154.206	KSULFVALBZAJMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003101
CC(CC1CC(=C1)C(=O)O)C	PC-id_86675031,EMOLS-id_313722658,SCHEMBL14243692	154.206	RPXJMJDNWGLBFZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003102
CCCC1CC(=C1)C(=O)OC	SCHEMBL11313805	154.206	VKZAOZPLSXIYBS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003103
CCCCC1=C(CC1)C(=O)O	PC-id_21614712,SCHEMBL294898	154.206	MQGQAMXVOJDRHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003104
CCCCC1CC(=C1)C(=O)O	SCHEMBL19396663	154.206	PPPVJOLMUGTWED-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003105
CC(C)CC(=O)OC1=CCC1	PC-id_88170012,SCHEMBL7597440	154.206	MOUFWPCJXJCPFY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003106
CCCCC(=O)OC1=CCC1	SCHEMBL2308841	154.206	CGLXGBXGFIPOJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003107
CC(C[C@H]1CC(=C1)C(=O)O)C	SCHEMBL17146782,PC-id_118422877	154.206	RPXJMJDNWGLBFZ-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003108
CCCCOC(=O)C1=CCC1	PC-id_22051641,SCHEMBL48333	154.206	RIHIKJUESVBASB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003109
CC(COC(=O)C1=CCC1)C	SCHEMBL304997,PC-id_53806646,EMOLS-id_313591967	154.206	FMELRTSMAQDMSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003110
CCCOC(=O)CC1=CCC1	PC-id_87989015,SCHEMBL6417598	154.206	HSFGXPOYRRFFQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003111
CCOC1=CC(=O)[C@]1(C)CC	PC-id_101843860	154.206	MNFFVMPDPFQYRI-VIFPVBQESA-N	00001100000000000000000000000000000000000000000000000000	06-01-003112
CCOC(=O)C1=CCC1(C)C	SCHEMBL12150575,PC-id_58196311	154.206	ZRKKJKXJZWXPNE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003113
CCOC(=O)C1C(C)C=C1C	EMOLS-id_337901333	154.206	PBBUWXXWGRPDIZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003114
CCOC(=O)C1=CC(C)(C)C1	PC-id_520859,EMOLS-id_337897755	154.206	JWFAARURPAFBBJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003115
COC(=C)CC1=C[C@@H](C1)OC	SCHEMBL19091481	154.206	COAXTESRBZMWHY-VIFPVBQESA-N	00001100000000000000000000000000000000000000000000000000	06-01-003116
COC(=O)C1=C(C)C(C)(C)C1	EMOLS-id_337903389	154.206	XDCTVVKIXLLFRU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003117
COC(=O)C1=C(C)[C@@H](C)[C@H]1C	EMOLS-id_337898520	154.206	LFGJVFRMGKFSKJ-NTSWFWBYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003118
COC(=O)C1=C(C)[C@H](C)[C@H]1C	EMOLS-id_337900560	154.206	LFGJVFRMGKFSKJ-PHDIDXHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003119
O1C(=O)C(=C1)CCCCCC	PC-id_57027030	154.206	FILVBDSTFQNJFX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003120
O=C(C1=CCC1)OC(C)(C)C	PC-id_18361617,SCHEMBL8678911	154.206	GCYLTSILGZZSLG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003121
O=C(C(C)(C)C)OC1=CCC1	SCHEMBL3151561	154.206	NBFPCTZNJNFCQS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003122
OC(=O)CCCCC1CC=C1	PC-id_85730226	154.206	FVANSKZJDGHOIC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003123
CCC1=C[C@H](N1)CNC(=O)C	PC-id_137454965,SCHEMBL20694080	154.21	PZDKXTVOKAOQML-QMMMGPOBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003124
CCC1=CC(N1)CNC(=O)C	SCHEMBL20693640,PC-id_137454546	154.21	PZDKXTVOKAOQML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003125
CCCC[C@@]1(CN=C1)C(=O)N	PC-id_118548288,SCHEMBL17302269	154.21	LYWDWTBSPVRHHU-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003126
CCCNC1=C(CC1=O)NC	SCHEMBL20927268,PC-id_138569386	154.21	DVSQMWLURKURLQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003127
O=C1C=C(C1=O)[Si](C)(C)C	PC-id_101040778	154.239	MXYLTYHGERRCAA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003128
CCC1C=C(C1CC(C)C)O	SCHEMBL15951416,PC-id_90341214	154.249	XNOYRQLCLBVDBF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003129
CCCCC1=C(CC1)CCO	PC-id_144521251	154.249	UBNRAOBGXMEYFA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003130
CCCCCCC1=C(CC1)O	PC-id_139683658	154.249	HACVWHSLLCSVAH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003131
CCCCCCC1=CC(C1)O	SCHEMBL18677034	154.249	AGURSNXRTSBCBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003132
OCC1C(CCCCC)C=C1	PC-id_85307854	154.249	HOEQHCNZDKOVAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003133
OC(CC1=CCC1)CC(C)C	PC-id_12589469	154.249	WOZLBKSHJIDSAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003134
OC[C@@H]1[C@H](CCCCC)C=C1	PC-id_10898913	154.249	HOEQHCNZDKOVAE-NXEZZACHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003135
CC(CNCCC1=CCC1)N	SCHEMBL19053763	154.253	QPMATOMRYNSFBD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003136
[Si](C1=CC(=O)C1C)(C)(C)C	PC-id_13382762	154.282	BPUUTTSEYJWPBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003137
C[Si](CCC1=CCC1)(C)C	PC-id_139263553	154.325	GRVHPDVLBLOOIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003138
[Si]1(C(C(=C1C)C)(C)C)(C)C	PC-id_54081803	154.325	MNQMAYOVPKGZKF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003139
[Si](C1=C(CC1)CC)(C)(C)C	PC-id_10796980	154.325	PETNSPPTTGHYII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003140
[Si](C1=C(CC1C)C)(C)(C)C	PC-id_15587803	154.325	YFCSMNFGJAASME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003141
[Si](C1=C(C(C1)C)C)(C)(C)C	PC-id_85722907	154.325	XHNDIKKQBSWAOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003142
ClC1=C(O)C(F)(F)C1=O	PC-id_45119083	154.499	HLAPTMMPDWVZKF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003143
C1=C(C=C1S)CC(=O)CN	PC-id_164168428	155.04	ZTERTBYZXQYHSN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003144
C1=C(C(=O)C1=O)NCCCO	PC-id_153873890	155.058	JHEYAVAPRXWZIE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003145
C1[C@@H](C=C1N=C(N)N)C(=O)O	PC-id_163978180	155.069	SVZHRLMMVSOANW-GSVOUGTGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003146
C[O+]=C1C(=C(C1(F)F)F)F	PC-id_85866886	155.07	PYDCWZQRCZLVNS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003147
CC1=CC(C1)C(=O)N(C)OC	PC-id_155238955	155.095	VBJNMUNWGBBMMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003148
CC1=C(N(C1(C)OC)C)C=O	PC-id_164118141	155.095	YDASENUSETUQEG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003149
CC(=O)NC1=C(O)C(=O)C1=O	SCHEMBL13929572,PC-id_15275261	155.108	VGGKAVLSVUDXPZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003150
OC(=O)CC1=C(N)C(=O)C1=O	PC-id_142659126	155.108	BGVQVVJYPLEXPV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003151
O=C1C(=C(N)C1=O)NC(=O)N	PC-id_45083134	155.112	KGXFMPYNVAAXAD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003152
O(C(=O)C1(CC=C1)C(=O)[O-])C	PC-id_71343583	155.128	OIGXTZBYMZVFPT-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-003153
O(C(=O)C1C(C=C1)C(=O)[O-])C	PC-id_85553311	155.128	MTWLXSDEHFKHPV-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-003154
CCNC1=CCC1[C@@H](C)OC	PC-id_163691248	155.131	JTDFIEZUJBLCOH-GVHYBUMESA-N	00001100000000000000000000000000000000000000000000000000	06-01-003155
C1(=C(C(=O)C1=O)OCC)NC	SCHEMBL9207951,MCULE-4205164274,EMOLS-id_84834822,7208532_OpenMolecule,PC-id_15644051	155.151	TVUDBAYBOZLIOU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003156
CCC(C1=NC=C1)(C(=O)O)O	PC-id_68419638,SCHEMBL2858301	155.151	KWXPCQZQXFHVPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003157
CC(COC(=O)C1=NC=C1)O	PC-id_70612464,SCHEMBL11570121	155.151	ATJVBXGXVSREFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003158
CCNC1=C(C(=O)C1=O)OC	PC-id_23564118,SCHEMBL14617942	155.151	OYDLISQKQKSORN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003159
CCN(C1=C(O)C(=O)C1=O)C	PC-id_118244820,SCHEMBL16921770	155.151	HYZBLGMVHGDIJB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003160
CC(NC1=C(O)C(=O)C1=O)C	SCHEMBL841027,PC-id_11480563	155.151	FPSOLCPVMXRGCC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003161
CCOC(=O)C1=C(C(=O)C1)N	PC-id_140342936	155.151	UHBBXYWADQIWPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003162
CCOC(=O)C1=CN(C1=O)C	PC-id_138717790,SCHEMBL21095626	155.151	YLZJSEDCZMVIQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003163
CN(C1=CC(=O)C1)C(=O)OC	PC-id_102177368	155.151	DBQSPFCFWKLJBL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003164
CNC(C1=C(O)C(=O)C1=O)C	SCHEMBL19537464	155.151	NBSARZOAWBBPJS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003165
CNCCOC1=CC(=O)C1=O	SCHEMBL9852469	155.151	KWHUJCJGGNTLIC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003166
COC1=C(N(C)C)C(=O)C1=O	EMOLS-id_336483066,PC-id_15848763,MCULE-3131955791,SCHEMBL3572105	155.151	DPHIXPMOZQIUPM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003167
COCCC1=CN=C1C(=O)O	SCHEMBL15005646,PC-id_89610861	155.151	IODXFJLXHYIHAP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003168
NC(=O)COC(=O)C1=CCC1	EMOLS-id_313764938	155.151	DCEHTJWPPSGHCV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003169
OC1=C(CCCN)C(=O)C1=O	PC-id_10057734	155.151	CRQPPZKFWVADKT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003170
O(C1=C(N)C(=O)C1=O)CCC	PC-id_15253755	155.151	ZUVHOECSYKPBTL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003171
O(C(C)C)C1=C(N)C(=O)C1=O	PC-id_15253759	155.151	BIKJCGKZOWYRIL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003172
OC(CCC1=NC=C1)C(=O)O	SCHEMBL2858299,PC-id_68419637	155.151	OZTFJETXJWCVJB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003173
O=C(NC)C1=C(CC1)C(=O)O	PC-id_45123514	155.151	ZCYKIZJKOUFPLP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003174
CNC1=C(C(=O)C1=O)NCN	PC-id_88958972,SCHEMBL12801445	155.155	RUNVQNORDXHPDL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003175
CNC1=C(C(=O)C1=O)NNC	SCHEMBL15700688,PC-id_90143839	155.155	BXDCZAOJWSIURE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003176
O=C1C(=C(N)C1=O)NCCN	PC-id_15273888	155.155	AEQSJKYQSTXPSB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003177
O=C1C(=C(N)C1=O)NN(C)C	PC-id_13508871	155.155	NCEHJBWHBIUJSX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003178
[2H]CC1=C(C(=O)C1=O)OC(C)C	PC-id_101196672	155.169	OZOYNWQSFNTBNE-WFVSFCRTSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003179
CC(CNC1=C([3H])C(=O)C1=O)C	SCHEMBL14597291	155.187	PXHJGFHHWANXST-WJULDGBESA-N	00000100000000000000000000000000000000000000000000000000	06-01-003180
CCC1CC(=C1)COC(=O)N	PC-id_141890547	155.194	VMWGBVDSQXJWNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003181
CCCC1C=CN1C(=O)OC	PC-id_143725691	155.194	ONSCYEWPXMZDEF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003182
CC(C)(C)OC(=O)N1CC=C1	MCULE-6180301562,PC-id_91670314,EMOLS-id_192852530	155.194	WXEOUSQBCNRCJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003183
CCNC1=C(C(=O)C1)OCC	PC-id_142180205	155.194	RQGNEARXWKWJJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003184
CN(C1=C(C)C(=O)C1(C)O)C	PC-id_145328529	155.194	AWEUDTHOLFDHLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003185
COCCNC(=O)C1=CCC1	PC-id_24802883,SCHEMBL11910910	155.194	RCWSCNNGFURWAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003186
O=C(C1=CCN1)OC(C)(C)C	PC-id_141888093	155.194	YUUOTYLBFMCCIN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003187
OC(=O)C1=CCN1CCCC	PC-id_23171807	155.194	DVODABJRKRFRHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003188
C[N+](CCOC1=NC=C1)(C)C	PC-id_53999615	155.218	KKOWMZGSIMWHMF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003189
OC(C[N+](C)(C)C)C1=NC=C1	PC-id_23615222	155.218	FUFMCBUCTGXDJI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003190
CCOC1=NC(C1(C)C)(C)C	SCHEMBL9210906,PC-id_14472333	155.237	RCIUJMWFEMFFAF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003191
OCC(CN1CC(=C1)C)(C)C	SCHEMBL19157227	155.237	NFNMVEMREVAPFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003192
CCCSC1=CC(=N1)CC	SCHEMBL11015744,PC-id_70492312	155.261	FFYYUZFBGPGZNA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003193
S(C1=NC(C1)(C)C=C)CC	PC-id_86094517	155.261	OAWFNTBYVCFURE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003194
S=C(N1CC=C1)C(C)(C)C	PC-id_71559859	155.261	GURBAUUMVBRSFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003195
O=[B-]=C1C(=[B-]=O)C(=C1B=O)B=O	PC-id_102399444	155.284	YHUBZYFEOGXVOM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003196
ClC1C#CC1(Cl)Cl	SCHEMBL9515851,PC-id_57191001	155.41	WLSSTJDOOXEDEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003197
C1CC=[In]1	PC-id_145827474	155.89	DUEXWSVTOVSXNK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003198
COC(=O)C1CC(=C1)B(O)O	EMOLS-id_316215499,PC-id_135395010,MCULE-3384690019	155.944	FHGFIVOVHZMVQD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003199
[B]C1C(=C(C1=C(C#N)C#N)C)O	PC-id_88986779	155.949	BCZIHVPDBKDCPP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003200
C=CC1=C(C(=N1)C(=O)[O-])Cl	PC-id_164040744	155.986	VPZMQYYEPUYXEO-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-003201
C1CC1S(=O)(=O)C2=CN=[C-]2	PC-id_153932979	156.012	IERHBPQGCFYIQF-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003202
C(=O)C1=NC(=O)C1NC(=O)O	PC-id_153734760	156.017	GOPXMQAWZOUIHT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003203
C1CC(=C1N(F)F)N(F)F	PC-id_153848231	156.031	LGJYIHHYDOAENU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003204
C1=C(C(=O)C1=S)NCCN	PC-id_153551397	156.036	SWKOCGGPIQPRFI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003205
FC1(F)C(F)(F)C=C1CO	PC-id_86172407	156.078	GQPYGDLXBBGGJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003206
CC(CC1=CCC1)(C(=O)O)O	PC-id_165172922	156.079	DSMVDZMKLHZLRA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003207
OC1=C(NC(=O)N)C(=O)C1=O	PC-id_85775439	156.096	NOZAFKCSYVHJEV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003208
ON=C1C(=O)N(C1=O)C(=N)N	PC-id_54565089	156.1	ZTGDYAIGXJIEAF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003209
C1CC(=C1CC(=O)O)C(=O)O	PC-id_88515620,SCHEMBL9785266	156.136	VQQPCAUXWXCRKV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003210
C1CC(=C1)CCCCCS	SCHEMBL9322086,PC-id_88445870	156.288	WUIRDSKTPKZBHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003264
CC(C)OC1=C(C(=O)C1=O)O	SCHEMBL737196,PC-id_86053426	156.136	GNAVRSOXQGVQHW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003211
CCCOC1=C(O)C(=O)C1=O	PC-id_20278303,SCHEMBL10960510	156.136	NIFNQAGSNQRCFO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003212
CCOC1=C(C(=O)C1=O)OC	SCHEMBL14071570,PC-id_59805382	156.136	WZSLSNJUCYAAME-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003213
CC(=O)OC1=C(CC1)C(=O)O	SCHEMBL6719363,PC-id_88033301	156.136	PJZVBRGCXXIZPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003214
CC(=O)OCCC1=CC(=O)O1	SCHEMBL8989721,PC-id_54004715	156.136	KOAPDSKCSLRZLH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003215
COC(=O)C1C=CC1C(=O)O	PC-id_92015963	156.136	MTWLXSDEHFKHPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003216
COC(=O)C1=C(CC1)C(=O)O	SCHEMBL5607802,PC-id_13265871,EMOLS-id_96403361	156.136	OXESBZKQBYYRBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003217
COC(=O)[C@@H]1C=C[C@@H]1C(=O)O	PC-id_10855713,EMOLS-id_81816156,MCULE-2827845718	156.136	MTWLXSDEHFKHPV-CRCLSJGQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003218
O1C(C1)COC(=O)C1=COC1	SCHEMBL4652686,PC-id_22733683	156.136	UATSKONRIOUQAL-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003219
O1C(CC2OC=C2C(=O)O)C1	PC-id_17802512,SCHEMBL9860733	156.136	CWSGNOUYRWIVTK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003220
OCC(=C)C(=O)OC1OC=C1	PC-id_139924303	156.136	NCAJMRIXENCXPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003221
OC(=O)C1=C(CC1C)C(=O)O	PC-id_21884975,SCHEMBL344894	156.136	TYNVQQDPNWHFGT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003222
O(C(=O)C1(CC=C1)C(=O)O)C	PC-id_14915497	156.136	OIGXTZBYMZVFPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003223
OC(=O)C1CC(=C1C(=O)O)C	PC-id_21037,SCHEMBL5480475	156.136	RCIQMZDMRSJPME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003224
OC(=O)CC(=O)OC1=CCC1	SCHEMBL11877496	156.136	FNKJQPPFPCECAC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003225
O(C(=O)[C@@H]1[C@H](C=C1)C(=O)O)C	PC-id_45084876	156.136	MTWLXSDEHFKHPV-WHFBIAKZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003226
O=CC1=C(C#C)C(=C1C#C)C=O	PC-id_101153461	156.138	QKOXXVXQNQICHF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003227
C
(=N/CCN)/C(=C(C1=O)O)O	CHEMBL1180676	156.139	YEXNYGSJIBTPMK-FPYGCLRLSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003228
CCN(C1=C(C(=O)C1=O)O)N	SCHEMBL15598210,PC-id_90063946	156.139	DTKGWJMZSAJEKR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003229
CCONC1=C(N)C(=O)C1=O	PC-id_142648864	156.139	BEGIETMRJQSZSI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003230
OC1=C(NCCN)C(=O)C1=O	PC-id_10773216	156.139	MKLIJMRIKREVRX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003231
C1CC1OC(=O)C1=CC(C1)F	PC-id_87279006,SCHEMBL1697290	156.154	BMNFYOLVKMQTQS-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003232
FC1=CC(C1)(CC=C)C(=O)O	PC-id_57723672	156.154	ZXQMQWVKVZLGSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003233
CC1=C(C(=O)C1O)OC(C)C	PC-id_88417368	156.179	KOHQFXIUIPBFAI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003234
CCCCC1C(=C(C1=O)O)O	SCHEMBL5609239,PC-id_22263471	156.179	HQDZSJNCSSCCPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003235
CCCCC1=C(CO1)C(=O)O	SCHEMBL3912948,PC-id_68836677	156.179	FHTIJRPMLYIMQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003236
CCCCC1OC=C1C(=O)O	PC-id_68836676,SCHEMBL3912946	156.179	CEESDNPSDDJKMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003237
CCCCOC(=O)C1=COC1	PC-id_22096641,SCHEMBL6833278	156.179	YQJYEZLXICRKDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003238
CCCOC(=O)C1=C(CC1)O	SCHEMBL9715779,PC-id_88504842	156.179	FCNZEUOKHAXOJI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003239
COC(=O)C(C1=CC(C1)C)O	SCHEMBL6910276	156.179	JLJVPCABKOPNLU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003240
O(C1=C(C(=O)C1O)C)C(C)C	PC-id_10820813	156.179	ALOXSLAGKFDVPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003241
OC1=C(O)C(C1=O)C(C)(C)C	SCHEMBL17147499,PC-id_118423474	156.179	GSGBRLAZTIBKFA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003242
OC(C1=CCC1)C(C)C(=O)O	PC-id_557913	156.179	XLDKUKPXIYLMPC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003243
O(CC1CC=C1)CC(=O)OC	PC-id_85730222	156.179	DUGOSNBNMBWKFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003244
O(CC1C(C=C1)CO)C(=O)C	PC-id_13903798	156.179	KMRZRPZUDKCGCX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003245
O(CC1=C(C(=O)C1)C)COC	PC-id_14119845	156.179	HRNZBFASDVPQJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003246
O(C[C@H]1[C@H](C=C1)CO)C(=O)C	PC-id_10855714	156.179	KMRZRPZUDKCGCX-SFYZADRCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003247
CCNC1=C(C(=O)C1O)NC	SCHEMBL19957324,PC-id_134334136	156.182	WRRPQZSTNNWOQR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003248
CC(=C)C(=O)OC1SC=C1	PC-id_139969685	156.202	VXINDDMLDIIGFG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003249
CC(CCC1=CCC1)CP	SCHEMBL13772664,PC-id_89168158	156.205	QLKJPWSKWPOWMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003250
CCCCC1=C(O)OC1CC	PC-id_102122152	156.222	JYDSWKLJTIZGNM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003251
CCCCC1OC=C1CCO	PC-id_141184669	156.222	LYSSQCOWMUBNJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003252
CCOC1(CC=C1C)OCC	SCHEMBL12154557,PC-id_88885059	156.222	GEENGYSKIBDYLE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003253
COC1=C(CC1)OC(C)(C)C	PC-id_141011355	156.222	PBDAYMXMLWLEMG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003254
COCC1=C(C)CC1(C)OC	PC-id_100957875	156.222	NPNUYSRJUPIPHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003255
OC1C(=C(C1O)C)CCCC	PC-id_85649417	156.222	POBIPGKJASQAFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003256
OC1C(=C(C1O)C)C(C)(C)C	PC-id_85649420	156.222	VWMSLEFAIXRBLO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003257
OC1=C(C(O1)(C)C(C)(C)C)C	PC-id_101362041	156.222	OVEQTUOGYHXNMF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003258
O(C1(C(O)(C(=C1C)C)C)C)C	PC-id_86118279	156.222	WKBBRAZEZQEKNH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003259
O(C1(C(OC)C(=C1C)C)C)C	PC-id_13637877	156.222	IVAQXLGBJPFCLW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003260
OCC1C(C(=C1CC)C)CO	PC-id_85920058	156.222	DJADSDNIIXGMBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003261
C1(=C(C(=C1C=C)C=C)C=C)C=C	PC-id_15368702	156.224	JOKFVERXCGQCLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003262
NCCNCC1=C[C@@H](N1)CN	PC-id_117878141,SCHEMBL16472391	156.229	UBDPAAIVABRNCA-ZCFIWIBFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003263
CCCCC(C1=CCC1)S	SCHEMBL9322080,PC-id_88445869	156.288	AKBITJNBUIAFNN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003265
CCCCCC1=C(CC1)S	SCHEMBL9322094,PC-id_88445872	156.288	ILWRIXDXWGXHES-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003266
CCCCSC1C=CC1C	PC-id_142421036	156.288	JHWYRUUBLYBGAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003267
CC(C)SCCC1CC=C1	PC-id_91223274	156.288	MYBXMIQHMQACLG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003268
S1C(C=C1C(C)(C)C)(C)C	PC-id_85648403	156.288	DDZGHPRKLHOWRA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003269
SCCC(C1CC=C1)CC	PC-id_22897595	156.288	HUPUZMOAKZMUEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003270
CC1=C(CC1)O[Si](C)(C)C	SCHEMBL12093796,PC-id_88878906	156.298	KDVLDQBBHLIOQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003271
ClC1=C(Cl)N=C1Cl	PC-id_142778065	156.398	BWSOBXMNDQHFNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003272
ClC1=C(F)C(C1=O)(F)F	PC-id_21438118,SCHEMBL11748594	156.49	UDIPZPZFFFJAHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003273
ClC1=C(F)C(=O)C1(F)F	PC-id_23233713	156.49	XNNVQBIRCJLXPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003274
C=CCC1=C(Cl)C(=O)C1=O	PC-id_101639116	156.566	JFWDTZBCGZJZJH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003275
C1C(C=C1C#N)Br	PC-id_154255892	156.953	AANLCHGEDAMMHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003276
C1=CN(C1=C[N+](=O)[O-])[N+](=O)[O-]	PC-id_154291667	157.012	SWAZJGFLHZFZFG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003277
C1CC1S(=O)(=O)C2=CN=C2	PC-id_153932980	157.02	JTDBAGVBDYPIEC-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003278
CC1(CC=C1[N+](=O)[O-])C(=O)O	PC-id_154220412	157.038	SNYCANLEVXWLLH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003279
CCOC1=C(C(C1=O)O)NC	PC-id_163777969	157.074	MMDAKJRTNVCYAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003280
OC1=C(NCCO)C(=O)C1=O	PC-id_85594903,SCHEMBL17662344	157.124	XXQGBKBDSSSNSY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003281
O(C1=C(NCO)C(=O)C1=O)C	PC-id_85521644	157.124	MRFYYRQESWWXPH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003282
O(C1=C(N(O)C)C(=O)C1=O)C	PC-id_11217381	157.124	HYZORUBHCFQWRG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003283
O(C1=C(NOC)C(=O)C1=O)C	PC-id_13508853	157.124	ABYNVTGSBIOOOD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003284
C1CC(=C1)CC(C=O)NP	PC-id_90891303	157.15	UJFJUPMLANUHCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003285
CC(C)(CO)C1=CC(=N)P1	PC-id_89392985	157.15	XLYRZAVHBVZQMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003286
OCC(C1=CC(=P1)N)(C)C	SCHEMBL14647280	157.15	WXHAJPKNIDIMCC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003287
CC(NC1=C(C(=O)C1O)O)C	SCHEMBL19455932	157.167	KIRPAZQMHCMPHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003288
CC(NC1=C(O)C(C1=O)O)C	SCHEMBL18678763	157.167	LKKBMWYTBSRLTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003289
N[C@H](C(=O)OC1=CCC1)CO	PC-id_122598381,SCHEMBL18124364	157.167	GUNDYRIOLMKQAL-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-003290
OC1C(CNC(=O)OC)C=C1	PC-id_85352768	157.167	QSBYWFXJEKDLFC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003291
OCC1C(NC(=O)OC)C=C1	PC-id_85166672	157.167	IITKGQPRGUMWCZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003292
OC[C@H]1[C@@H](NC(=O)OC)C=C1	PC-id_10511124	157.167	IITKGQPRGUMWCZ-WDSKDSINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003293
O[C@H]1[C@H](CNC(=O)OC)C=C1	PC-id_10975748	157.167	QSBYWFXJEKDLFC-NTSWFWBYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003294
C1C(=CO1)N(COCN)C=N	SCHEMBL15384515,PC-id_89901390	157.17	WVPWXKZEWSCRTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003295
CCC1C(=NC1(N)N)C(=O)O	SCHEMBL4670152,PC-id_69137551	157.17	PCRWWPADUGDSIZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003296
CC(OC1=C(C(=O)C1=O)C([2H])([2H])[2H])C	PC-id_101196670	157.182	OZOYNWQSFNTBNE-HPRDVNIFSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003297
CC(NC(=O)C1=CCC1)CF	EMOLS-id_96091133	157.185	ALRLILOAZLEUMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003298
CN(C1=C(S)C(=O)C1=O)C	PC-id_101170022	157.19	JGUONOGSZFXSDV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003299
[3H]N(C1=C([3H])C(=O)C1=O)CC(C)C	PC-id_57981953,SCHEMBL7856699	157.195	PXHJGFHHWANXST-VKNQDVKGSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003300
CC1=C(C(C1O)O)NCCC	SCHEMBL18286750	157.21	MDAQEBQWKMRBTN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003301
CN(C)C1CC(=C1OC)CO	PC-id_134312361,SCHEMBL19932433	157.21	WHWKGNLOQUVMIF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003302
CC1CC(=N1)CCC(C)(C)F	PC-id_89729242	157.228	XBTBZEBGISNUSV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003303
C[C@H]1CC(=N1)CCC(F)(C)C	SCHEMBL15160487	157.228	XBTBZEBGISNUSV-ZETCQYMHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003304
[CH-]=C(CCC1=CC=C1)C1=CCC1	PC-id_91099919	157.232	LWHGSWCZQATXFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003305
CCNC1=CC(=S)C1=S	SCHEMBL20500872,PC-id_135329757	157.256	DOICVEDRHVWXCR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003306
C[Si](C)(C)ONC1=CCC1	PC-id_91469813	157.286	QDCKVVIUTXIIDU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003307
[Si](O[Si]1CC=C1)(C)(C)C	PC-id_13599301	157.338	GBMHYMOKTTUAHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003308
ClC1C=C(C1Cl)Cl	PC-id_56634005	157.426	GFVBPRLMUSCMLA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003309
ClC1=CCC1(Cl)Cl	SCHEMBL4153605,PC-id_53766281	157.426	DLMKWIHWLQSXBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003310
C=CC1=C(C(=N1)C(=O)O)Cl	PC-id_67116026,SCHEMBL1670704	157.554	VPZMQYYEPUYXEO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003311
C1(C(=C(O1)Cl)Cl)Cl	PC-id_153983621	157.909	SEHQLVDNIPWDDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003312
C1=C(C(C1(F)F)Cl)Cl	PC-id_154127883	157.95	FCNAJOPATXZHSV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003313
C1(C(C(=C1F)F)Cl)Cl	PC-id_154282066	157.95	VFGVXWPZFZBGFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003314
BC1C(=C(C1=C(C#N)C#N)C)O	SCHEMBL12954423	157.965	UCRKZPWHOQPEHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003315
CC1=C(C(=C)C1=O)C(=C=N)[N+]#[C-]	PC-id_162302247	158.048	LHICPZGUOPTPCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003316
C[Si](C)(C)O[SiH]1CC=C1	PC-id_153698735	158.058	CLNLKRMCZFIJQQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003317
CC1=C(F)C(C1(F)F)(F)F	PC-id_17783487,SCHEMBL251017	158.069	FRHTXJKWBGIZCM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003318
FC1=C(F)C(C1(F)F)(C)F	SCHEMBL251016,PC-id_22465916	158.069	JGRVDAUBJUEPOT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003319
CCOC(=O)C1=C=P(=O)C1	PC-id_140573018	158.092	LSZOGRLQILOQEE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003320
CCOOC1=C(O)C(=O)C1=O	PC-id_21899740,SCHEMBL1760866	158.109	VSZXTPZMCMOUSQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003321
OCCOC1=C(O)C(=O)C1=O	SCHEMBL17662343,PC-id_121263312	158.109	BADUMAHSFCMPDE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003322
FC1=C(CC1)OC1=C(CC1)F	SCHEMBL812300	158.145	RJBIVXFRPKEULV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003323
COC(=O)C(C1=CCC1)(O)O	PC-id_88326368,SCHEMBL8584293	158.152	SBBGYTGLARJVKJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003324
OC1(C(=C(OC)C1=O)OC)C	PC-id_10261343	158.152	PTQMLCKHODRRNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003325
O(C1(OC)C(=CC1=O)OC)C	PC-id_10103398	158.152	OAAULVKMECGMOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003326
CC(=C(C)C1=CP(C1)F)C	SCHEMBL20017680,PC-id_134387793	158.153	CVOSCAKHMPYGTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003327
FCC/C=CC1=CCP1C	SCHEMBL18534250	158.153	VDTGJGNJFCDHBN-RQOWECAXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003328
C1=CSC1C=NNC(=O)O	SCHEMBL10512252,PC-id_88622506	158.178	BYHFTIHBLNNGMJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003329
OC(=O)NN=CC1=CCS1	SCHEMBL10510930,PC-id_70382618	158.178	NQSCVBZFADKFKV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003330
OC(=O)N/N=C/C1SC=C1	SCHEMBL10512249	158.178	BYHFTIHBLNNGMJ-ZZXKWVIFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003331
CC(C1=C(CS1)C(=O)O)C	PC-id_70500367,SCHEMBL11036870	158.218	OKUAMFLIAFQDAD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003332
CCCC1=C(CS1)C(=O)O	SCHEMBL7107261,PC-id_69990924	158.218	APUJQBBPHQHVCW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003333
CCCC1SC=C1C(=O)O	SCHEMBL7107259,PC-id_20131754	158.218	GLXDEQLYEPITML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003334
CS(=O)C1=CC(C1=O)(C)C	PC-id_141067859	158.218	HFIGKHPVGLMJSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003335
S(C1(C(=C(C1=O)C)O)C)C	PC-id_86071855	158.218	OMQIOIAMHHOXTJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003336
C=C(CCC1=CC=C1)C1=CCC1	PC-id_91099920	158.24	AWUDNSNCUWDUFC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003337
C1=CC(S1)OC1SC=C1	PC-id_140206500	158.241	LWQUSOVWWAYBPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003338
S=C1C(=C(N)C1=S)NC	PC-id_20712500	158.245	TXHRKASQRZHGHS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003339
C1=COC1CCCCCS	SCHEMBL4303993,PC-id_87648907	158.261	JWQAQCBBQXFCIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003340
CCC1CC(=C1)C(=S)S	SCHEMBL17319470,PC-id_118562806	158.284	DRQWITUKGGXTRE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003341
CCCCC1=CC(=S)S1	PC-id_145864673	158.284	YDTUVCMUBARVFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003342
ClC=CC1=C(CC1)C(=O)O	PC-id_319943	158.582	BWMYZWVLQHRGKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003343
[Sn]1=CCC1	PC-id_86231162	159.773	CIGPIJZKQSUWRO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003371
Cl/C=C/C1=C(CC1)C(=O)O	PC-id_54612313,NSC266082,CoCoCo_5564656	158.582	BWMYZWVLQHRGKG-ONEGZZNKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003344
COC(=O)C1=C(C(=C)C1)Cl	PC-id_139670798	158.582	KBWDOKUOMYYJEM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003345
OC(=O)C1=C(CC1)/C=CCl	CoCoCo_5564657	158.582	BWMYZWVLQHRGKG-ARJAWSKDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003346
ClC1C(=C(C1=O)CC)CC	PC-id_11051934	158.625	VPAJWVXIYDTMCX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003347
ClC1=C(CCCC)CC1=O	PC-id_13840284	158.625	DOAMFMHAHPYKEZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003348
ClC1=C(C(C)(C)C)CC1=O	PC-id_13840285	158.625	SMOFVWFTFPWDHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003349
ClC1=C(Cl)CC1(F)F	PC-id_13777792	158.961	YSJHRGHDXIZJIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003350
ClC1=C(Cl)C(F)C1F	PC-id_57069334	158.961	IDYQVKRHWARUJP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003351
BrC1=C(CC1=C)C	PC-id_20600467	159.024	YUJKLUQMXLTSDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003352
CC1=CC(=C)N1/C=CC=CC=C	PC-id_163742167	159.105	LISABQRBCAUOIH-MDAAKZFYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003353
CSNC1=C(C(=O)C1=O)O	PC-id_134417645,SCHEMBL20050249	159.163	JZMCNJMXAWRIAD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003354
C1(=C(C(=C1[N+](=N)[S-])O)O)N	PC-id_136987987	159.166	AZYWUXYVVPULKQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003355
NN(C1=C(N)C(=O)C1=O)S	SCHEMBL17379841	159.166	BEPBBRIFUMWHMJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003356
CC(C(=O)O)NC1SC=C1	SCHEMBL6398676,PC-id_69765979	159.206	UMPTTWVQZMZNQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003357
C[C@@H](C(=O)O)NC1=CCS1	SCHEMBL6398680,PC-id_69765980	159.206	JKTQAUGDVUGMPQ-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003358
C[C@@H](C(=O)O)NC1SC=C1	PC-id_69765981,SCHEMBL6398682	159.206	UMPTTWVQZMZNQB-ROLXFIACSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003359
CN(C1=C(C)C(=O)S1=O)C	PC-id_142311130	159.206	LATDAILITMCKOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003360
COC(=O)C1=C(C(S1)C)N	SCHEMBL18393295	159.206	XUUPADIQWVZCSX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003361
S1C(=CC1)NC(C)C(=O)O	PC-id_77710238	159.206	JKTQAUGDVUGMPQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003362
CC=C1C=CC1/C(=CCC#C)/N	PC-id_134527418	159.228	UXTSLIZXROODTO-VEOHEGGASA-N	00001100000000000000000000000000000000000000000000000000	06-01-003363
C/C=C
/C=CC1/C(=CCC#C)/N	SCHEMBL20172181	159.228	UXTSLIZXROODTO-AQPYURIMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003364
C1CC(=C1)S(=O)CCCN	PC-id_90902360	159.249	FGUHSHMBRPFJMO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003365
S(=O)(C1CC=C1)CCCN	PC-id_58684311	159.249	NHRDRGNAQYAUBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003366
ClC1=[C]C(C1(F)F)(F)F	PC-id_102069510	159.489	ABZHMHNVSHAUDJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003367
CCC1=C(C(=N1)C(=O)O)Cl	PC-id_70364555,SCHEMBL10430522	159.57	CLSXQIWHMQIBHR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003368
CCNC1=C(Cl)C(=O)C1=O	PC-id_98098835	159.57	CMPWPWZSJUELRM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003369
ClC1=C(N(C)C)C(=O)C1=O	PC-id_12503032	159.57	SSAXMNLPYDOVBY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003370
C1CC(=C1C=O)Br	PC-id_161557306	159.952	WNXHZOBSNKHNMM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003372
CCC1=CC[C@H]1Br	PC-id_146776488	159.989	RSVAWVHPTOBJGW-ZCFIWIBFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003373
C1(C(=C(O1)C(F)(F)F)F)F	PC-id_154299112	159.995	DGFFVWJZCJXVGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003374
CCC1=C(N=C1)Br	PC-id_142798972	160.012	NOXBDUABGDFYBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003375
CC[Al](OC1=CCC1)Cl	PC-id_164059455	160.024	WFPGKSPBEFGSMF-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-003376
FC1(F)C(F)(F)C(=C1O)F	PC-id_15640931	160.042	QEMVKVZSPRCQRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003377
CC=C=C1C=CC1C(F)(F)F	PC-id_163689542	160.05	JRTKEXFIFDAPJT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003378
[N-]=C=C(C1=C([O-])C(=O)C1=O)C#N	PC-id_102384504	160.087	FPASMFNFKPXUSO-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-003379
CC/C=C/1C=CC1=CC(=N)C=N	PC-id_163696871	160.1	JXRHJUSRBFQNAD-BAWMVHGZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003380
C#CCN1CC=C1CCNC#C	PC-id_163835775	160.1	OHPWAVZUZOLQEV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003381
CC1=C(C(=O)C1=C(C#N)C#N)O	PC-id_89297782,SCHEMBL14300897	160.13	IQBJFSFTRJGOCN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003382
CC1=C(C(=O)C1=O)C(C#N)[N+]#[C-]	PC-id_90707650	160.13	FCGYQKJEEUCEAT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003383
OC1=C(/C(=C([N+]#[C-])/C#N)/C1=O)C	PC-id_59875852	160.13	VWRGRPWBTZXWIS-AATRIKPKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003384
OC1=C(C(=C([N+]#[C-])C#N)C1=O)C	PC-id_72585076	160.13	VWRGRPWBTZXWIS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003385
CC([C@]1(C(=C(N1)F)OC)C)N	PC-id_134290901,SCHEMBL19907230	160.189	HNZYHSGJIFZOCX-DRGSQQHPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003386
CC1=C(OCC)S(=O)C1=O	PC-id_142311261	160.191	QGMKHYCCRYMSQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003387
OC1=C(C(=C)C1=C)C=CC=CC	PC-id_58489259	160.212	XGDRYFUSSXCUOQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003388
S(C1=C(S)C(=O)C1=O)C	PC-id_21718569	160.214	XUNGBKFMHMKCBD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003389
CC(C)(C)C1=CS(=O)(=O)C1	ZINC22_1873890,CoCoCo_5586765,NSC301417,LI_183017,PC-id_327207	160.234	VTWAZRMOSZZGFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003390
CC(S(=O)(=O)C1=CCC1)C	SCHEMBL18841291	160.234	AQKGUEIRTCOOGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003391
CSC1=C[C@H]([C@@H]1CO)CO	PC-id_54547696,SCHEMBL9598029	160.234	ZHRYEUJEIQNDSY-WDSKDSINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003392
S(C1=CC(C1CO)CO)C	PC-id_19792751	160.234	ZHRYEUJEIQNDSY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003393
C12(CC1)CC(=C1CC3(CC3)C1)C2	PC-id_85820950	160.255	ZQXCFRZPKVMYLA-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003394
C1CC2(/C/1=C/1CCC31CC3)CC2	PC-id_102022221	160.255	LVHGZTDSHLKBGC-MDZDMXLPSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003395
C1CC(C1)C1CC2C1C1=C2CC1	PC-id_90914926	160.255	AHLXPZCQNKYJQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003396
C1(=CCC1F)O[Si](C)(C)C	EMOLS-id_331162051,MCULE-6367017588	160.261	WLOPBOUNNUFXKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003397
CC1=C(S)C(=S)C1=S	PC-id_59349698,SCHEMBL12432468	160.28	ZLQLISMOXVNHQR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003398
CC(C1=CCC1)SCS	PC-id_134268166,SCHEMBL19881572	160.3	UNERDIQKTBAIBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003399
C1=C(C(C1(F)Cl)(F)F)F	PC-id_87672470,SCHEMBL4451058	160.497	IGEIEUJWNUWOJL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003400
ClC1=CC(C1(F)F)(F)F	PC-id_12663854,SCHEMBL2941390	160.497	YSLHYAGVBOAIMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003401
ClC1=C(C(C1F)(F)F)F	PC-id_19083374,SCHEMBL8459596	160.497	GEUMGMZTPBJMEM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003402
ClC1C(F)(F)C(=C1F)F	SCHEMBL1176606,PC-id_12626936	160.497	FGJHNJGEYGNFGQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003403
ClC1(C(=O)C(=C1)OCC)C	PC-id_85539212	160.598	VLISZGRJNFZKFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003404
[Sb]1=CC=C1	PC-id_85603465	160.816	CXHSUAGRIMNZRS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003405
BrC1=CC(=O)C1=O	PC-id_11116344	160.954	JHGAHXSUFBEHKP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003406
CC1=C(CC1Br)C	PC-id_119097967	161.04	FXBAHVYUKVIDQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003407
CC1=CC(C1)(C)Br	PC-id_119097798	161.04	GWFMFEMVUIPZAH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003408
CC1=C(C(=C1NC)CC=C)C=C	PC-id_163878880	161.12	PRIYXUMIAIRJNG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003409
C/C=CC=C/1CC=C1/C=C/CN	PC-id_163908570	161.12	QQCWJGDOVDFXQG-VMEUPXRCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003410
CCN=CC1=C(C(C1)C=C)C=C	PC-id_163616171	161.12	HKFIARULSBHJFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003411
CC1=C2C31C=C(C3(C2)C)CN=O	SCHEMBL13558766,PC-id_89115922	161.2	XJRJMTGKGPMDCQ-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-003412
O=C1C(=C(N)C1=O)NC(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H]	PC-id_71313346	161.21	BNXSOTNBHPGHGZ-NCKGIQLSSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003413
S(=O)(=O)(C1CC=C1)CCN	PC-id_58684138	161.222	KIOHHEGPLRTMCO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003414
S(=O)(=O)(N1CC(=C1)CC)C	PC-id_10012199	161.222	MJGXLNFALAFRHX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003415
CC=C(C)C(=C(C)C)C1=NC=C1	PC-id_89351745	161.243	FVDRVFHMMMILLD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003416
C/C=C(C(=C(C)C)C1=NC=C1)/C	SCHEMBL14492909	161.244	FVDRVFHMMMILLD-UITAMQMPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003417
C=C/C=CC(=C/C)CC1=CCN1	SCHEMBL19673055	161.244	OVYZKHKUCQIYGC-QYONPMAVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003418
CCNS1(C)(C)C=CC1C	SCHEMBL18884294	161.308	XNFDRNWXYCARAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003419
FC1(F)C(F)(F)C(=C1F)F	PC-id_12767	162.033	QVHWOZCZUNPZPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003420
CC1C(C(=C1C(=C=N)[N+]#[C-])C)O	PC-id_162298964	162.079	IITHTKQBLBBUGH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003421
C1=CC(=C1)COOOOOO	SCHEMBL13979265,PC-id_89217205	162.098	GMZZXFTWEJNPOW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003422
OC1=C(C(=O)C1=O)C(C#N)C#N	PC-id_71368577	162.102	IYRHJDANKIIFMV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003423
C(=[N-])=NC1=C(C(=C1O)N=C=[N-])O	PC-id_136823459	162.106	GWILEBDMPOGTRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003424
C(=[N-])=NC1=C(C(=C1O)O)N=C=[N-]	PC-id_136717685	162.106	YMYAPMUUYASGGT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003425
FC1(F)CC(=C1F)CC=C=O	PC-id_56630940	162.109	WJYMLUUDJUHTIV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003426
FC1(F)CC(=C1F)C(=C=O)C	PC-id_57263185	162.109	GSOARGZZOANFJJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003427
P(=O)(OC)(OC)C1=CCC1	PC-id_24974579	162.124	ABJZUDXDZVEKII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003428
CCCCC(CC#C)C1=[N+]=CC1	PC-id_163762978	162.128	XUBMDSXSJCVREQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003429
CC
=CC/C1=C(/CC=C)C(C)C	PC-id_153402345	162.141	RLCAZKWDLLERIE-VAWYXSNFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003430
CC(=O)OC1=CS(=O)(=O)C1	PC-id_134996557	162.164	GMZQHPHLPYVMMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003431
CC=CC1=C(C(=CC=C)C1=O)O	PC-id_89119022	162.185	UUNOOZUGMPGZHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003432
C/C=C/C1=C(O)/C(=C/C=C)/C1=O	SCHEMBL13567267	162.185	UUNOOZUGMPGZHC-GUBXDBFYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003433
OC1=C(C(=C)C1=O)C=CC=CC	PC-id_58489232	162.185	JMEDRKONDPEKQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003434
O[C@H]([C@H](C1=CC=C1)O)C1=CC=C1	PC-id_102253246	162.185	GRMKTKOFQCPBPE-UWVGGRQHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003435
N#CC1(CC1)NC(=O)C1=CCC1	EMOLS-id_96540084	162.189	ZYHIIWRSDCJWPE-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003436
S1(=O)(=O)CC(=C1)OC(C)C	PC-id_13168989	162.207	XEQFWCYOZHTSRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003437
C=C/C=C/CCCC1=CC(=O)C1	PC-id_102457455	162.228	QBZSZOUTRUHWKH-ONEGZZNKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003438
O(CC1=CC=C1)CC/C=C/C=C	PC-id_11120169	162.228	BXSRQEPIRVXMNO-ONEGZZNKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003439
O(CC1=CC=C1)CCC=CC=C	PC-id_85405832	162.228	BXSRQEPIRVXMNO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003440
C=N/C=C(C=C
/N(C)C=C1C)/C	PC-id_143712110	162.232	CXAFPYFMIZJLDP-BHJHHZOLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003441
C1(=C(C(=S)C1=O)S)S	PC-id_134976622	162.253	PZWGZYVOJUSEDQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003442
FCCCCS1=C(CC1)C	PC-id_144514421	162.268	NRVXLUTXQSFGFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003443
C1(C(C(=C1C)C)(C)C#C)(CC)C	PC-id_11389045	162.271	WQDIWAZQBJYWJJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003444
C1C(=C(C1)C)C(=C)CCCC=C	PC-id_85579566	162.271	YROWUCCHPUUEPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003445
C1(=C(C)C)C(=C(C)C)C(=C1C)C	PC-id_12937845	162.271	WZUUCQDMBKQIFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003446
CC1=C(CC1)CCC1=C(CC1)C	PC-id_101480485	162.271	VXCBRZRWYUGPKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003447
C#C[C@]1(C)C(=C([C@]1(C)CC)C)C	PC-id_101246386	162.271	WQDIWAZQBJYWJJ-NEPJUHHUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003448
CCC(C1CC1)C1C(=CC1=C)C	PC-id_90898400	162.271	IADGZPQLJPSMBH-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003449
C(CCC1=CCC1)CC1=CCC1	PC-id_86205686	162.271	RBLPRARXWCSMEV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003450
C=CC(C1(C)C(=C(C1=C)C)C)C	PC-id_121000705	162.271	DXRHGWJDCLYVGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003451
CCCC=CC=CC1=C(CC1)C	PC-id_91384085	162.271	PHYXGCMGJGMAFP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003452
CC1=C(C(C1=S)S)S	SCHEMBL14401535,PC-id_89327970	162.296	VMSQVJHHHNANGL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003453
ClCC1(O)CC(=C1)C(=O)O	PC-id_17841389	162.571	KFOQQDMZOXDVQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003454
COC1=C(CC1(F)F)C(=O)[O-]	PC-id_154222160	163.021	QUNANUXDWLGGKO-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-003455
FC(F)(F)C1=C(N)C(=N)C1=N	PC-id_59755451,SCHEMBL12432578	163.101	JOWYKCNTOZXHKN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003456
CC1C=CC1CC2C=C(C2C)N	PC-id_154955123	163.136	ODDHZBALNUOJDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003457
CCC1=C2CC23C1C3NC(C)C	PC-id_155105080	163.136	ININZERFVLMBGY-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003458
CC(=CC1=C(CC1)C#N)C(=O)O	SCHEMBL7151211,PC-id_53705213	163.173	BWSFAMDGPDNPPU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003459
C(C(=O)OC1=CCC1)C=CC#N	SCHEMBL10420170,PC-id_53884244	163.173	HLZLZIJIUXEAQK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003460
C/C=CC=C/C1=N[C@@H](C1C)C=O	SCHEMBL18266663	163.216	VWFRRCQGDLBWOK-TUAJEYHKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003461
CC(NC(=O)C1=CCC1)CC#C	EMOLS-id_265161849	163.216	XYAMAXOBRSKFFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003462
CN(C(=O)C1=CCC1)C(C#C)C	EMOLS-id_265161913	163.216	YFVHYZRCVOEFPH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003463
O=C1/C(=C/C)/C(=C1C=C)N(C)C	PC-id_20717025	163.216	JNUUOJNDJPAVGV-SOFGYWHQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003464
O=C1C(=CC)C(=C1C=C)N(C)C	PC-id_59870150	163.216	JNUUOJNDJPAVGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003465
[Si]C(=[C+]C1(O)C(=O)C=C1)[Si]	PC-id_85716776	163.258	FFUUACDCOPWZDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003466
CC1C=CC1CC1C(C=C1N)C	PC-id_137476562,SCHEMBL20717641	163.259	QFSGJQRMGHLFIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003467
CC(C1=CC#C1)(CC(N)(C)C)C	PC-id_145285861	163.259	OTIAQUWYFAISBU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003468
CC/C=CC(C1=CC=C1NC)C	SCHEMBL21090048,PC-id_138712821	163.259	DIOOUPFUFYHMFE-WAYWQWQTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003469
NC/C=C(/CC1CC(=C1)C)C=C	PC-id_143367119	163.259	FPZZWTDIEPXKQY-ONNFQVAWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003470
SC(=S)NC1SC=C1	PC-id_140175320	163.284	AEAGKQHODGQZQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003471
ClC1C(SCCN)C=C1	PC-id_58684664	163.668	VAMAJUQPTQYJPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003472
COC1=C(CC1(F)F)C(=O)O	PC-id_154222161	164.029	QUNANUXDWLGGKO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003473
CC(=O)C1=C(CC1)C(F)(F)F	PC-id_147450717	164.045	DXZXIZIUAYRWBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003474
C1(=CCC1)CB(CCC)CCC	PC-id_11715220	164.095	XHZVAYCHIGULFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003475
C=C=CC1C(=C(C1(F)F)F)F	SCHEMBL8746571,PC-id_88358968	164.1	SZESTZFXOZXZJN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003476
COC1=C(C(C1=O)(F)F)OC	PC-id_85866914	164.107	JISVNPTYGXWFFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003477
CC1=C(C(=O)C1=C)CCC(C)C	PC-id_160170104	164.12	XXMZCAZJPMDLKW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003478
FC(F)(C1=CCC1)C(F)C=O	PC-id_57070656	164.125	KCZQEPIWSOWQFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003479
CC1CC(C1)CCC2C=CC2C	PC-id_153578020	164.157	LWDGDDRSZVSRII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003480
CCC(CC)C1(CC=C1C=C)C	PC-id_165119411	164.157	WGHDVLFRNFAFBY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003481
C#CCC(C1=C(O)C(=O)C1=O)C	PC-id_118187693,SCHEMBL16851559	164.158	MYNJXNWXWVMWIL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003482
C#CC[C@H](C1=C(O)C(=O)C1=O)C	PC-id_118187746,SCHEMBL16851615	164.158	MYNJXNWXWVMWIL-RXMQYKEDSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003483
C#CC[C@@H](C1=C(O)C(=O)C1=O)C	SCHEMBL16851591,PC-id_118187723	164.158	MYNJXNWXWVMWIL-YFKPBYRVSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003484
O(C(C)C)C1=C(C(=O)C1=O)C#C	PC-id_14140301	164.158	NPLZLVBSTILPHZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003485
CC(=O)C(=CC(=O)N)C1=NC=C1	PC-id_68133675,SCHEMBL11801869	164.161	NRMIETNVFMTWHT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003486
O=C=NCC1=C(CC1)CN=C=O	PC-id_21806071,SCHEMBL8968073	164.161	CSLYYDDPTPBBIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003487
CC1=C(C)[C@@H]([C@H]1N=[N+]=[N-])N=[N+]=[N-]	PC-id_101095340	164.168	CUCRFERNRDOPEE-WDSKDSINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003488
FC(F)(F)C1=C(CC1)CCC	PC-id_57125721	164.168	IDNDJDPWRAHRLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003489
N(=[N+]=[N-])CC1C(C=C1)CN=[N+]=[N-]	PC-id_85385323	164.168	URSKEWRQVGGOIY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003490
N(=[N+]=[N-])C[C@H]1[C@H](C=C1)CN=[N+]=[N-]	PC-id_11062717	164.168	URSKEWRQVGGOIY-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003491
FC(C(=O)SC1CC=C1)F	PC-id_19598295,SCHEMBL8436457	164.173	PBTVNDGKGNWTGI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003492
S=C(OC1CC=C1)C(F)F	PC-id_57227493	164.173	IADDIXZPAYOMBU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003493
CC1=COC1OS(=O)(=O)C	PC-id_140693311	164.18	BEDFUYNNECCTTM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003494
C=CC1CC1C(=O)OC1=CCC1	SCHEMBL10665286,PC-id_88648072	164.201	GITATVWKRAYXJO-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003495
CCOC(=O)C(=C)CC1=CC=C1	PC-id_102253245	164.201	JDAYXDZIEUNOLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003496
O=C1C(=C(C)C)C(=O)C1=C(C)C	PC-id_549113	164.201	ISLXZNCOOZRQPU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003497
CCC(C#N)NC(=O)C1=CCC1	EMOLS-id_303436751	164.204	BAKNYQZINXRNGP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003498
CC[C@H](C#N)NC(=O)C1=CCC1	EMOLS-id_107402945	164.204	BAKNYQZINXRNGP-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003499
CC[C@@H](C#N)NC(=O)C1=CCC1	EMOLS-id_265166948	164.204	BAKNYQZINXRNGP-QMMMGPOBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003500
CC(C#N)CNC(=O)C1=CCC1	EMOLS-id_265167494	164.204	LESQNMWDFUUJII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003501
CC(=C1C(=C(C1=C(C)C)C)O)C	PC-id_118346691,SCHEMBL17053113	164.244	ZLPASJJQMLWXAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003502
CCCCC1=CC2(C1)OC12CC1	PC-id_101756694	164.244	YTFXNSPOGHCSTF-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003503
CCCCC1=C(C(=O)C1C=C)C	PC-id_134878052	164.244	OLAVQEFVJVCHSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003504
O=C1C(C(=C1CCCC=C)C)C	PC-id_14062869	164.244	HNPBVFTZFLICKL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003505
C1CC(=C1)C(CCCCN)C#N	PC-id_88442109,SCHEMBL9294959	164.247	SGFCFCPWGKWTII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003506
C1(=C(CC1)CC)CCCCC=C	PC-id_22909831	164.287	LATDLQVRHXAQKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003507
C1(CC(=C1CC)CCCC=C)C	PC-id_54236116	164.287	QMRNZGWULXJHDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003508
CC1C#CC1C(C)(C)C(C)(C)C	PC-id_91549843	164.287	NQTMTRGYXJTBLV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003509
CC1=CC(=C)C1(C)C(C)C(C)C	PC-id_91599873	164.287	AFFRSBZJMHKCOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003510
CCC1(C(C(=C1C)C)CC=C)C	PC-id_91099241	164.287	VSGYZQWHJHKTDU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003511
CCC/C=C/1CC(=C1CCC)C	PC-id_134903074	164.287	JUZIZVIKNGAHGY-DHZHZOJOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003512
CCC/C=C/1CC(=C1C)CCC	PC-id_134981025	164.287	PSMDJRPMYYTCIA-XYOKQWHBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003513
CCC(CC1(CC=C1)C)C=CC	PC-id_90986956	164.287	VRCGYEXOWVCILH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003514
CCC/C=C(/C1=CCC1)CCC	PC-id_102516485	164.287	VTIQBZWTULRHJK-DHZHZOJOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003515
CCCCC(=C)C1=CCC1(C)C	PC-id_101836387	164.287	CWFVZKYKUFWDQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003516
CCC(C=C)C(C)C1CC=C1C	PC-id_90787093	164.287	QBHWYQMBCKWDMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003517
CCCC=CC(C)C1CC=C1C	PC-id_91151069	164.287	AKUXEWWLEPGCCX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003518
CCCC=C(CCC)C1=CCC1	PC-id_135056845	164.287	VTIQBZWTULRHJK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003519
CC1(C=CS1)S(=O)(=O)N	PC-id_155022155	164.992	MYIPPNKHGSYGJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003520
CC1CC(=C1Br)F	SCHEMBL21415480,PC-id_139540040	165.004	QEQHYGJFVVOUIE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003521
ClC1(C(=C(Cl)C1=O)C)C	PC-id_13776971	165.017	SFOPQJOLTJQPGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003522
ClC1(Cl)C(=C(C1=O)C)C	PC-id_12530221	165.017	KSXJECRLONZOGT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003523
C[C@@H](C#N)[C@]1(C=CC1C(=O)O)C	PC-id_163700523	165.079	KAOLIGZXXFMWEJ-JFOAVASISA-N	00001100000000000000000000000000000000000000000000000000	06-01-003524
C1C=CC1(C(=O)N)C(F)(F)F	SCHEMBL20495253,PC-id_135324848	165.113	QYLQKPDNUCALTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003525
CCCCCOC1=C(CC1)C#N	PC-id_154323617	165.115	WAOAGWPDMUOZQO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003526
C#CCC(C1=C(C(=O)C1=O)O)N	PC-id_90050569,SCHEMBL15582591	165.146	OLSQDNCRFGMHJF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003527
C#CC[C@@H](C1=C(O)C(=O)C1=O)N	SCHEMBL15582746	165.146	OLSQDNCRFGMHJF-BYPYZUCNSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003528
C#CC[C@H](C1=C(O)C(=O)C1=O)N	SCHEMBL15582755	165.146	OLSQDNCRFGMHJF-SCSAIBSYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003529
C#CCN(C1=C(O)C(=O)C1=O)C	PC-id_118244815,SCHEMBL16921765	165.146	WHVKUVRBJNHRTI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003530
N#CCC(C1=C(O)C(=O)C1=O)C	PC-id_118187782,SCHEMBL16851653	165.146	SVNRSGFRCOWFDE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003531
N#CC[C@@H](C1=C(O)C(=O)C1=O)C	PC-id_118187788,SCHEMBL16851659	165.146	SVNRSGFRCOWFDE-BYPYZUCNSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003532
N#CC[C@H](C1=C(O)C(=O)C1=O)C	PC-id_118187826,SCHEMBL16851699	165.146	SVNRSGFRCOWFDE-SCSAIBSYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003533
O=C1C(=C(N)C1=O)C(=O)/C=C/C	PC-id_1714300	165.146	AFFMRKPQCPKYFW-NSCUHMNNSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003534
O=C1C(=C(N)C1=O)C(=O)C=CC	PC-id_3709316	165.146	AFFMRKPQCPKYFW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003535
OC(=C(C1=CC(=O)C1)N=O)C=C	SCHEMBL19509002	165.146	SDHYMIFGUNFYHP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003536
CC(C=C)C1(C=CC1(C)NC)C	PC-id_155197275	165.152	BMBPDPGGMJCOPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003537
CNCCCCC/C=C/1CC=C1	PC-id_164076814	165.152	WUBXBGDRZRRZIG-XFFZJAGNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003538
CC1=C(C(=O)C1=O)NC1CCC1	PC-id_88906644,SCHEMBL12331951	165.189	QYZBQMUMPOKUMX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003539
CC1=C(C(=O)C1=O)NCC1CC1	PC-id_89194264,SCHEMBL13887509	165.189	NFACZKIWSAYRIB-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-003540
[O-]C1=C(C(C)C)C(=O)C1=C(C)C	PC-id_59265705	165.209	OTQNTKXSFCPRJW-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-003541
CC1CC1CNC(=O)C1=CCC1	EMOLS-id_107200000	165.232	MHARYAKROKXTAX-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003542
CC1C(O)C(=C1CC(N)C)C#C	PC-id_144002932	165.232	HIUBKBOCVYVGLR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003543
CC(C1CC1)NC(=O)C1=CCC1	EMOLS-id_265176600	165.232	IRSWTNDTMLGMOZ-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003544
CCC1CC1NC(=O)C1=CCC1	EMOLS-id_304155163	165.232	NQCLRIYLRJROHH-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003545
CCCC1=C(N=C1C=O)CCC	PC-id_90890183	165.232	TUKFQIGOSOWFRM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003546
CC=C(C)NC(=O)C1=C(CC1)C	PC-id_88271484,SCHEMBL8261461	165.232	YQQZMCKIXXTIOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003547
CC[C@@H]1C[C@H]1NC(=O)C1=CCC1	EMOLS-id_265175685	165.232	NQCLRIYLRJROHH-VXNVDRBHSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003548
CN(C(=O)C1=CCC1)C1CCC1	EMOLS-id_265175602	165.232	WICXVZRMOIMTTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003549
O=C(C1=CCC1)NCC1CCC1	EMOLS-id_265174920	165.232	POYBVOMNZBMVGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003550
O=C(C1=CCC1)NCC1(C)CC1	EMOLS-id_265176409	165.232	BISORGQTOMIUDB-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003551
O=C(C1=CCC1)NCC=C(C)C	EMOLS-id_265176919	165.232	AIWIWWSMDDRTOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003552
O=C(C1=CC(=C)C1N(C)C)CC	PC-id_86245763	165.232	ABWUHWXMEYDDPX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003553
O=CC1=NC(=C1C(C)C)C(C)C	PC-id_142771203	165.232	VZNUZGNGYWFABX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003554
CC/C=C/C1CC(=C1)N=C=S	PC-id_118562807,SCHEMBL17319471	165.255	PWYRNKKQCAREMC-ONEGZZNKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003555
ClC1=C(Cl)N=C1C(=O)O	PC-id_23148643	165.962	QHRIANXKABBWHI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003556
C1C(C=N1)NC(=O)C(F)(F)F	PC-id_152390121	166.035	XHFNNOMIOHWVDJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003557
CC1=NC(C1(Cl)Cl)(C)C	PC-id_134925619	166.048	HWFJVHXPLMPKJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003558
[C-]#[N+]NC1=C(C(C1O)NC#N)O	PC-id_162275632	166.049	MZGVNUIJTWYWIA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003559
FC(F)(F)C1=C(O)C(=O)C1=O	PC-id_59349731,SCHEMBL12432441	166.055	CCYNVOXWSCFNEF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003560
C1CC(=C1)OC(=O)C(F)(F)F	SCHEMBL3151862,PC-id_87486190	166.098	NRQICXUVCWIMPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003561
FC1(F)C(=C(F)C1=O)OCC	PC-id_71438881	166.098	ZAHDWVSFTXJHSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003562
O=C(C(F)(F)F)C1=C(CO1)C	PC-id_140032727	166.098	OYAARYYXFJENIF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003563
OC(=O)C1=CC(C1)C(F)(F)F	EMOLS-id_337717889	166.098	YDYRSLZQSAJPPU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003564
OC(=O)C1=C(CC1)C(F)(F)F	SCHEMBL17594813,PC-id_118948922	166.098	XODKCCPSBFBHNP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003565
CC1=C(C(=O)C1=O)CC(C)(C)C	PC-id_164966919	166.099	YSUJHDITPKTVPE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003566
CC(C)OC1=C=C=C1OC(C)C	PC-id_154313237	166.099	KFKNSEJNFIMYJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003567
CC1=C=C(O1)C(=O)OC1=C(O1)C	PC-id_141518234	166.131	DSEUIZSJIGDMDT-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-003568
CC(=O)C1=C(C(=O)C1=O)C(=O)C	SCHEMBL3127761,PC-id_22042285	166.131	PXCZWAGOKDOKRZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003569
C#CCN(C1=C(C(=O)C1=O)O)N	PC-id_90063923,SCHEMBL15598186	166.134	UFYYZUJXPCJUFE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003570
C(C#N)C(C1=C(C(=O)C1=O)O)N	SCHEMBL15582621,PC-id_90050597	166.134	FPEPTDHIZWYWSS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003571
N#CC[C@H](C1=C(O)C(=O)C1=O)N	SCHEMBL15582642	166.134	FPEPTDHIZWYWSS-GSVOUGTGSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003572
N#CC[C@@H](C1=C(O)C(=O)C1=O)N	SCHEMBL15598291	166.134	FPEPTDHIZWYWSS-VKHMYHEASA-N	00000100000000000000000000000000000000000000000000000000	06-01-003573
CN(C)C1=C(C(=O)C1=O)N=[N+]=[N-]	PC-id_134893188	166.137	HOGKMFKVHLMONK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003574
O=C(C1=CN=C1)OCCN=[N+]=[N-]	SCHEMBL19724793	166.137	NUTOQJRCNGQHCR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003575
FC1(OC)C(F)(F)C(=C1C)C	PC-id_21731301	166.141	UEXKLQXRZNGRJE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003576
FC(F)(F)COC1=CC(C1)C	PC-id_12820044	166.141	YQRNKOOGSBJQDC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003577
FC(F)(F)COC1=C(CC1)C	PC-id_13485119	166.141	HVQOYLGBJGSPHM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003578
CC1CC(=C1)C(=O)C=CC(=O)O	PC-id_54177624,SCHEMBL8364454	166.174	OZNRRPSBROYPIS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003579
C=CC1=C(C(=O)C1=O)OC(C)C	PC-id_101036814,SCHEMBL19166886	166.174	WKYINTZTTSBYLE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003580
C=CC(C1=C(C(=O)C1=O)OC)C	PC-id_101639128	166.174	WCIIFYMKMWUDKY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003581
C=CCC1=C(C(=O)C1=O)OCC	PC-id_101639159	166.174	NVJZXXZCYMFPJY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003582
C=CC(C1=C(O)C(=O)C1=O)(C)C	SCHEMBL14300902,PC-id_89297787	166.174	NFTNIUCNPWBXNB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003583
C=CC(=O)C1=C(CC1)OC(=O)C	SCHEMBL9767483	166.174	VNLVJPZNVMPDNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003584
COC1=C(C(=O)C1=O)CC(=C)C	PC-id_101639127	166.174	LNUKPQIKSXHHOX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003585
O(C1=CCC1)C(=O)OC1=CCC1	SCHEMBL8476878,PC-id_57005574	166.174	NSOIHCZHWQMWLJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003586
CCCNC1=C(C(=O)C1=O)N=C	SCHEMBL17049846,PC-id_118343737	166.177	OTQZSVPGWGDXQJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003587
CC1=C(C(C1=O)C=C)OC(C)C	PC-id_134874438	166.217	BHAJGKREBMZDJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003588
CC1CC(C1)OC(=O)C1=CCC1	SCHEMBL10455002,PC-id_19990671	166.217	WLCZPPRHMPBHTE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003589
CC[C@]1(C=C[C@H]1CC=C)C(=O)O	PC-id_134947827	166.217	XIWFGZXBYVMVBF-PSASIEDQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003590
CC(C1=C(C(=O)C1=O)C(C)C)C	PC-id_12555047,SCHEMBL1299783	166.217	TYJFSUYUXGOXGB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003591
CC(C1=C(O)C(=C(C)C)C1=O)C	PC-id_59265706,SCHEMBL10053454	166.217	OTQNTKXSFCPRJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003592
C#C[C@]1(O)C(=C([C@@]1(C)OC)C)C	PC-id_101660408	166.217	XCUNNFZFWVEASU-ZJUUUORDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003593
CCCC1=C(C(=O)C1=O)CCC	PC-id_134994789	166.217	USWFJPBGBLFGES-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003594
CCOC1=C(C(=O)C1=C)C(C)C	SCHEMBL17532553,PC-id_118895069	166.217	JMPDYXLRURFJMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003595
O=C1C(=CC1=O)CCCCCC	PC-id_15320279	166.217	LZAPAODSZGIKFT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003596
O([C@@]1([C@](O)(C(=C1C)C)C#C)C)C	PC-id_10329662	166.217	XCUNNFZFWVEASU-VHSXEESVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003597
O(C1(C(O)(C(=C1C)C)C#C)C)C	PC-id_85112646	166.217	XCUNNFZFWVEASU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003598
O=C(C1C(C(=C1C)C)C(=O)C)C	PC-id_56947386	166.217	NJNAHLPVPGLBHG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003599
O(C(=O)C1=CC(=C(C)C)C1)CC	PC-id_14196391	166.217	VCFMEJQHDUSDSY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003600
O(C(=O)C(CC1=CC=C1)(C)C)C	PC-id_11120318	166.217	IXTQWWAJXKVQHT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003601
C#C[C@@H]1N=C(O)[C@@H]1N(CC)CC	CoCoCo_5756503,ZINC22_73332684,PC-id_95907083	166.22	SSRZWGRQVFFNEB-JGVFFNPUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003602
C#C[C@@H]1N=C(O)[C@H]1N(CC)CC	PC-id_95907084,CoCoCo_5756502,ZINC22_73332685	166.22	SSRZWGRQVFFNEB-YUMQZZPRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003603
C#C[C@H]1N=C(O)[C@H]1N(CC)CC	PC-id_95907085,ZINC22_73332691,CoCoCo_5756501	166.22	SSRZWGRQVFFNEB-SFYZADRCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003604
C#C[C@H]1N=C(O)[C@@H]1N(CC)CC	ZINC22_35946654,PC-id_93129728,CoCoCo_5756504	166.22	SSRZWGRQVFFNEB-HTQZYQBOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003605
CNCCNC1=C(C)C(=C)C1=O	PC-id_58091243,SCHEMBL12903101	166.22	FYJIJPPKWMNHKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003606
CC=C=CC1(CC#C1)COS	PC-id_89390901,SCHEMBL14641351	166.24	VUALPSNQGWVEPG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003607
CC=CCC(C)C(C1=CCC1)O	PC-id_90982516	166.26	FKSJXXQORJXREQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003608
OC1(CC(=C1)CCCC)C(=C)C	PC-id_10241156	166.26	QUHFPLCBGRHCQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003609
O=C(C1=CCC1)CCC(C)(C)C	PC-id_57708265,SCHEMBL9003967	166.26	XDZDPFXYUAGCTD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003610
O=CCCC1=CC(C1(C)C)(C)C	PC-id_13486538	166.26	MKTLPGBEVCGKLA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003611
CN(C1=C(C(=C1C)C)N(C)C)C	PC-id_139264481	166.263	NUALCQRYGVWYME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003612
C/C=CC1=C(C(C1C)S)C=C	SCHEMBL18466094	166.283	YQNGFYTVISEPKE-XQRVVYSFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003613
CCC(=CC=CC)C1=CSC1	PC-id_89248042	166.283	MUEKOVNDQIQMBD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003614
CC/C(=CC=C/C)/C1=CSC1	SCHEMBL14105478	166.283	MUEKOVNDQIQMBD-PAEKIZANSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003615
[Si](C1=C(C(=C)C1=O)C)(C)(C)C	PC-id_45118405	166.292	JHOBEXRKNBEQCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003616
C1(=C(CC1)CCCC)CCCC	PC-id_15257387	166.303	FFUJYWXDPXBDMH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003617
C1(CC=C1)(CCCC)CCCC	PC-id_21635983	166.303	BLBCFVJAXAISDY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003618
C1(C(C(=C1C)C)(C)C)(C(C)C)C	PC-id_54400166	166.303	VMVTZVKJLKWPLO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003619
C1(=C(CC1)CC)CCCCCC	PC-id_57126603	166.303	XJENGXHXYFCZKA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003620
C1(C(C(C)(C)C)C=C1)C(C)(C)C	PC-id_20779334	166.303	JSUWSOVNYFQSKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003621
C1(CCCCCCCC)CC=C1	PC-id_10487274	166.303	CQWUUQWPPFVYCO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003622
CC(C1=C(CC1)C(C)(C)C)(C)C	PC-id_140895187	166.303	PCAWNCCBGBJSMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003623
CCCC1CC(=C1)CCC(C)C	PC-id_90872444	166.303	AZTWDWRYEPGQPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003624
CC(C)CC1=CC(C1(C)C)(C)C	PC-id_134993940	166.303	UBBFOCCVTISNBF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003625
CCCCC(CC1=C(CC1)C)C	PC-id_141780137	166.303	RKZYHCYRAWNPPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003626
CCCC[C@H]1C=C[C@@H]1CCCC	PC-id_102289757	166.303	PRANJVWOSWMQNU-RYUDHWBXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003627
CC(=C1C(=C([Si]1(C)C)C)C)C	PC-id_102413579	166.335	YVGWNBMBKORJQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003628
[Si](C1=C(CC1)CC=C)(C)(C)C	PC-id_15587827	166.335	SZUNKSUKQIFHCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003629
[Si](C1=C(CC1)C(=C)C)(C)(C)C	PC-id_86255062	166.335	CDQPLNMBDOVNTN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003630
C[C@@H]1[C@H](C)C=C1C(Cl)(F)F	PC-id_140809488	166.596	KTZFKWXCSMVTOY-RFZPGFLSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003631
C=CC=C=C1CC(=C1C=O)Cl	SCHEMBL19089650	166.604	BIUOSMLZVVJNOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003632
ClC1C(=C(Cl)C1=O)OC	PC-id_71437475	166.99	JKIOSHDCVFZBRR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003633
ClC1(Cl)CC=C1C(=O)O	PC-id_57036015	166.99	OYGUTWQEHXKVLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003634
C=CCC1=C(CC1)CC(=S)N	PC-id_155063272	167.077	SHBMYFSYDYIASA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003635
COC1=C(C(C1=[O+]C)(F)F)F	PC-id_85866912	167.106	MKGUVSMJFRHIBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003636
CCOC1=C(C(=O)C1=O)N=[N+]=[N-]	PC-id_134874308	167.122	UERYMOIXBXUZFU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003637
CCC=C(C)NC1(CC=[N+]1C)C	PC-id_163996044	167.154	UETRTBPHMJFCJK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003638
C#CC[C@@H](C1=C(C(=O)C1O)O)N	PC-id_144894430	167.162	XDVSWHUAJJWMIR-VKZKZBKNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003639
CC(C(=O)C1=C(N)C(=O)C1=O)C	PC-id_142659156	167.162	FYHJRJWTDHFDBM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003640
OC1=C(C(N)CC=C)C(=O)C1=O	PC-id_11708120	167.162	XQELXZMOOVMLFI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003641
O(C1=C(C(=O)N1C(=O)C=C)C)C	PC-id_86062905	167.162	FLTSMMOCXVUVEF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003642
OC(=O)C=CNC(=O)C1=CCC1	PC-id_118128369,SCHEMBL16779989	167.162	RCBXPAPYEZRYFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003643
CCCCC1C(C=C1N)CCC	PC-id_163808820	167.167	NLLICYZMEXTFQQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003644
CCCC(C)CCNC1CC=C1	PC-id_155174796	167.167	PZHGJUQUTQBILZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003645
CCC(C)CNCC1C=CC1C	PC-id_163652661	167.167	INNXUXKXUBIVJC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003646
FN(C1=C(C)C(=O)C1=C)C1CC1	PC-id_143280262	167.18	ZFZOKAUSULCOME-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003647
C=C1C(=C(C1=O)NC(C)(C)C)O	SCHEMBL19449355	167.205	APRJUIRYBWLKFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003648
CC(C)(C)CNC1=CC(=O)C1=O	PC-id_87568913,SCHEMBL3749300	167.205	GIVTYYPXOQCSES-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003649
CC(C)CCNC1=CC(=O)C1=O	PC-id_87570627,SCHEMBL3762780	167.205	RSEUVIVPCPFOQM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003650
CC(C)C(C)NC1=CC(=O)C1=O	PC-id_87690754,SCHEMBL4558584	167.205	SFXUALMOTAIMQW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003651
CCCC(C)NC1=CC(=O)C1=O	PC-id_90830668	167.205	QQIVZJZXPDCPDW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003652
CCC(C)CNC1=CC(=O)C1=O	PC-id_90845188	167.205	NMSWEPBGBVBHMM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003653
CCCCCNC1=CC(=O)C1=O	PC-id_91572894	167.205	KNEVHHKSZKAMSS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003654
CCC(C)(C)NC1=CC(=O)C1=O	SCHEMBL5534398,PC-id_87851083	167.205	DZUMIVWLZILWRR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003655
CCCCNC1=C(C)C(=O)C1=O	SCHEMBL13887511,PC-id_60093116	167.205	BCYHMRIEFXVSTJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003656
CCCCN(C)C1=CC(=O)C1=O	PC-id_91535531	167.205	PGUBCSWVEFUGFL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003657
CC(CN(C1=CC(=O)C1=O)C)C	PC-id_141136599	167.205	ZSJPWABVMHZFMZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003658
CCC(NC1=CC(=O)C1=O)CC	SCHEMBL17871630,PC-id_121438065	167.205	PJITUNSTNNJGDG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003659
CC(COC(=O)CC1=NC=C1)C	SCHEMBL2406122,PC-id_67394991	167.205	OODYKOVOQOEHGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003660
C[C@@H](CC)CNC1=CC(=O)C1=O	PC-id_140557173	167.205	NMSWEPBGBVBHMM-LURJTMIESA-N	00000100000000000000000000000000000000000000000000000000	06-01-003661
CCNC1=C(C(=O)C1=O)C(C)C	SCHEMBL7766015,PC-id_88198361	167.205	PYMJXVVQFAIQTE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003662
CNC1=C(C(=O)C1=O)C(C)(C)C	PC-id_59599051,SCHEMBL12976263	167.205	XQAZEGSLLMLXLX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003663
CN(C1=C(C(=O)C1=O)C(C)C)C	SCHEMBL12032281,PC-id_58382092	167.205	FCHBSCJMXXYZDW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003664
O=C1C(=C(C1=O)C)N(CC)CC	PC-id_12614353	167.205	YNAOZCXEAMSTNA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003665
O=C1C(=C(C1=O)C)NCC(C)C	PC-id_76695272	167.205	WXKRNIJTVLTKQS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003666
O=C1C(=C(C1=O)C)NC(C)(C)C	SCHEMBL8229788,PC-id_58663096	167.205	LIESASQBEHNXCC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003667
OC1C(O)C=C1NC(C#C)(C)C	PC-id_141190048	167.205	VTIZYOOZNFBBTQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003668
O=C(CC1=NC=C1)OC(C)(C)C	PC-id_67395368,SCHEMBL2407016	167.205	NXHXXAAIQKUBJN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003669
O=C(N(C)C=O)C1(CC(=C1)C)C	PC-id_13026824	167.205	VSCOKESUTSMOAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003670
OC(=O)C1=NC=C1CCCCC	PC-id_54257313	167.205	RAZNGEAPPXTKRL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003671
CCN(CNCC1=NC=C1)C=O	PC-id_90746235	167.208	XDMPLOHMFQYIDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003672
[N-]=[N+]=NCO[C@H]1C=C[C@H]1CCC	SCHEMBL18889566	167.208	KCMSLNBZPBFZIV-SFYZADRCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003673
CCCC1(CCC)C(=CC1=O)N	PC-id_141170620	167.248	DBLDOWXQIGXVCC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003674
CCCC(CC1=CCC1C=N)O	PC-id_89742897,SCHEMBL15178131	167.248	YJEQLZQNWIDMHR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003675
CC(C(C)C)NC(=O)C1=CCC1	EMOLS-id_265203010	167.248	LKYIMVMZSZBOSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003676
CCC(NC(=O)C1=CCC1)(C)C	EMOLS-id_265201533	167.248	AFTJUWHAOGYUJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003677
CNCCOC1C=C[C@H]1/C=C/C	SCHEMBL19633173	167.248	RQYMQUMSHBJMHZ-XKOMJLFFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003678
O=C(C1=CCC1)NCC(C)(C)C	PC-id_59504939,SCHEMBL13165470,EMOLS-id_265203159	167.248	UROKDKKTGJFYNR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003679
C/C=C
/C(=C(C1=S)C=C)[S-]	PC-id_140576867	167.271	NMXXJAMGFMJFDP-XQRVVYSFSA-M	00001100000000000000000000000000000000000000000000000000	06-01-003680
CCC1C=CC1CCC(CC)N	PC-id_88892661	167.291	QQZMBLDMPWIWSO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003681
CCCCC(C1=CCC1)CCN	SCHEMBL10335935,PC-id_88595280	167.291	FQILBISZXBQUTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003682
CCCCCC1=C(CC1)CCN	SCHEMBL10335936,PC-id_88595281	167.291	HXGTWVRNKPYOGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003683
CC[C@@H](CCC1C=CC1CC)N	SCHEMBL12204065	167.291	QQZMBLDMPWIWSO-ILDUYXDCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003684
N(CC1CC=C1)(C(C)C)C(C)C	PC-id_85730220	167.291	CUIUWUVLVPIDHL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003685
BrC1=C(CC1)Cl	PC-id_119095436	167.432	UBKZQUFGKCJMLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003686
CNC1=C(Cl)C(=O)C1(F)F	PC-id_119097115	167.541	XBLCFRWKQDHARM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003687
ClS(=C1NC(=O)C1=O)O	PC-id_53974255	167.571	JTUAMEGLNUXJTR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003688
C1CC=[I]1	PC-id_88543700,SCHEMBL9971303	167.976	SDLTZPOKRGYLIO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003689
C1=CN=C1SSC2=CC=N2	PC-id_154707444	167.982	UCYKGBXOEFYAMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003690
CCOC(=O)CC1=CC(=O)C1=O	PC-id_154177425	168.042	NTABRNJGUVRIAV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003691
C(C#N)[C@@H](C1=C(C(C1=O)O)O)N	PC-id_163539404	168.053	DZUWSISGHIHHOK-NSJQTVLISA-N	00001100000000000000000000000000000000000000000000000000	06-01-003692
CN(CCN=O)C1=CC(=O)C1=O	PC-id_153333457	168.053	MMJSPYSXLDSCKA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003693
CC#CC1C(=C([C@@]1(C)Cl)C)C	PC-id_155041693	168.071	ZHGUCUFXCWDGME-QVDQXJPCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003694
C/C=CC1=S(C(=C1N=N)C)C	PC-id_163665103	168.072	IXSFCWHFSROAQK-LRGJRNGESA-N	00001100000000000000000000000000000000000000000000000000	06-01-003695
CC(C)(C)CC1=C(C(=O)C1=O)O	PC-id_164952993	168.079	GECPOHDNSITJDV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003696
C1=C(C(=O)C1=O)NCCCCN	PC-id_155278231	168.09	XYSLREYJNJGUBJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003697
CC1=C(C(=O)C1=O)NCCCN	PC-id_155281049	168.09	IIJOQAHSIYPXMC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003698
CC(C)C1(C(=CC1=O)O)C(C)C	PC-id_153797632	168.115	USOXAVRAIOYPPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003699
CCCOC1([C@@H](C#[N+]1)C)C(C)C	PC-id_163815433	168.138	OWOIISYFENUNLG-YHMJZVADSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003700
C1CC(=C1C=CC(=O)O)C(=O)O	PC-id_87814553,SCHEMBL5320122	168.147	ZVYXAFFMFSZWLJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003701
C=C(C1=C(CC1)C(=O)O)C(=O)O	PC-id_88188409,SCHEMBL7703917	168.147	GCZGEIYTLIMDAK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003702
O(C1=C(OC)C(=O)C1(O)C#C)C	PC-id_85574250	168.147	PIHPSORGSHSSEO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003703
OC(=O)C1=C(C(=C1C)C)C(=O)O	SCHEMBL9063070,PC-id_67763737	168.147	JFUXHAGGJRHMMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003704
O(C(=O)C1=C(C=C1)C(=O)OC)C	PC-id_10881373	168.147	FKFCNWSTSSYQNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003705
O(C(=O)C1=CC(=C1)C(=O)OC)C	PC-id_85985813	168.147	KOUKFFDKLIGLLN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003706
C=CCONC1=C(N)C(=O)C1=O	PC-id_142648865	168.15	HDARYGFVFPZHDQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003707
C1(=C(/C(=NN)/C/1=N/N)N=N)NN	PC-id_136741951	168.16	WSMMVNYHIGGEIG-DHBFAMIHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003708
CCC=C(C)[NH2+]C1(CC=[N+]1C)C	PC-id_163996043	168.162	UETRTBPHMJFCJK-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-003709
CCN(C1=C([O-])C(=O)C1=O)CC	PC-id_102130937	168.17	RXCZKBUDQWEULE-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-003710
SC1C(C)C=C1C(F)(F)F	SCHEMBL18780220	168.18	ZTINMYAOWJHSJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003711
CC1=C(CC1)C(=O)OCC1CO1	PC-id_88807151	168.19	UMQJTLYGYWMJRL-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003712
CCC1=C(C(=O)C1=O)OC(C)C	PC-id_11321188,SCHEMBL16144058	168.19	GUNBWSJMHVHETL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003713
CCC1OC=C1CC(=C)C(=O)O	PC-id_140174658	168.19	LKZLNYFYYWWQNP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003714
CCCC1=C(C(=O)C1=O)OCC	PC-id_90702991	168.19	YVQIYBDSBDFNQO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003715
CCCCC1=C(C(=O)C1=O)OC	PC-id_13658705,SCHEMBL7145004	168.19	HQYVBGIRQSCYGF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003716
CCCCCC1=C(O)C(=O)C1=O	SCHEMBL5238889	168.19	FQYXONYSWRNOIR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003717
CCCCOC1=C(C)C(=O)C1=O	PC-id_12614358,SCHEMBL7112689	168.19	CJTPRJZORUVTFA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003718
CCOC1=C(C(=O)C1=C)OCC	PC-id_134982501	168.19	ATUGLAPNPIPVTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003719
CCOC1=C(C(=O)C1=O)C(C)C	PC-id_57762338,SCHEMBL12331424	168.19	PTDQSZVFWPUJLP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003720
CC(=O)C(=O)CCC1=C(CC1)O	PC-id_88457620,SCHEMBL9403873	168.19	GLDXCEAZEVDBOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003721
COC1=C(C(=O)C1=O)C(C)(C)C	SCHEMBL12976259,PC-id_10844829	168.19	QGBXLGKASSBHGD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003722
COC(=O)CCOC1=C(C=C1)C	PC-id_143380770	168.19	XTYZWHSEWGATAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003723
OC1C(=CC(=O)OC)C(=C1)CC	PC-id_10535099	168.19	OSTUVPRCXQCFMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003724
O(C1(OC)C(=C(C1=O)C)C=C)C	PC-id_10397183	168.19	FMVVRSJAKSDSGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003725
O(CCCC1=CC(=O)C1)C(=O)C	PC-id_13840281	168.19	GDOAMYHHCRCHHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003726
O(C(C)(C)C)C1=C(C(=O)C1=O)C	PC-id_11229008	168.19	QTZAMNULKVVQKA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003727
C1(=C(C(=O)C1=O)NCC)NCC	SCHEMBL10289305,EMOLS-id_5782469,MCULE-5957365035,PC-id_2826628	168.193	DXNGYAJSGKOCBQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003728
C1(=C(C(=O)C1=O)N(C)C)N(C)C	ZINC22_32207667,PC-id_597740,EMOLS-id_50000828,SCHEMBL17623847,MCULE-7419767849	168.193	FZTBXBIFEDMTMV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003729
CC1=C(C(=O)C1=O)NC(C)NC	PC-id_89174794,SCHEMBL13808869	168.193	YSJQWKQWYCOGJH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003730
CC(C)(C)NC1=C(C(=O)C1=O)N	SCHEMBL1926619,PC-id_87312499	168.193	WUMRIHDBGPIJBW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003731
CC(C)NC1=C(C(=O)C1=O)NC	PC-id_88957735,SCHEMBL12784271,EMOLS-id_313653223	168.193	DRTSFMQQVXTTPM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003732
CCCNC1=C(C(=O)C1=O)NC	SCHEMBL18121422,PC-id_122595769	168.193	PVDAHPNSQVKLQM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003733
CC(CNC1=C(N)C(=O)C1=O)C	SCHEMBL16259076,PC-id_117713956	168.193	RULBAXBEXQDKDW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003734
CCCN(C1=C(N)C(=O)C1=O)C	SCHEMBL8202986,PC-id_88263679	168.193	YVOJPKNMWCTZGT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003735
CCC(=O)NNC(=O)C1=CCC1	EMOLS-id_265209793	168.193	YDGUAMNFZBUBGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003736
CC(C(=O)N)NC(=O)C1=CCC1	EMOLS-id_304157977	168.193	DWFGZSVHVQEJSX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003737
C[C@@H](C(=O)N)NC(=O)C1=CCC1	EMOLS-id_265209013	168.193	DWFGZSVHVQEJSX-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003738
CC(NNC1=CC(=O)C1=O)(C)C	PC-id_140997526	168.193	HEUKCMGUFAFAJP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003739
CN(C1=C([O-])C(=[N+](C)C)C1=O)C	CoCoCo_5679131,PC-id_360508,NSC622644	168.193	YNLZGALCALRTFU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003740
CN(C)CCNC1=CC(=O)C1=O	PC-id_88455606,SCHEMBL9392447	168.193	DTQJSFNNVUZKEA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003741
CNCCNC1=C(C)C(=O)C1=O	PC-id_59698564,SCHEMBL14203250	168.193	PKYJPDLFBOQMHA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003742
CNC(=O)CNC(=O)C1=CCC1	EMOLS-id_265209343	168.193	MNAZYJIJTMLGAY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003743
NCCN(C1=C(C)C(=O)C1=O)C	SCHEMBL21230840,PC-id_139376631	168.193	DDNFVCVABMRTIB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003744
O=C1C(=C(N)C1=O)NCCCC	PC-id_60093148	168.193	YATUEKGPKOAYEM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003745
O=C1C(=C(NCC)C1=O)N(C)C	PC-id_20712502	168.193	XUOBAUYUKDISCN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003746
O(C(=N)C1=C(CC1)C(=N)OC)C	PC-id_21677930	168.193	USBCGGUOAHNWPQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003747
CC=C(C1=CC(P1C)(C)C)C	SCHEMBL19371182	168.216	RXJVHSFVESUNRT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003748
CC1CC(=C1CCCC)C(=O)O	SCHEMBL8719219	168.233	MPCHKNOJABXKJJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003749
CCCC1(CCC)C(=CC1=O)O	SCHEMBL2988441,PC-id_21919518	168.233	AVYXZRGJTJDLOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003750
CCC(C1=C(C)C(=O)C1(C)O)C	PC-id_143101433	168.233	GEKYOINXNSATCR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003751
CCCCC1=C(O)OC1/C=C/C	PC-id_102122161	168.233	ZKIBIALGVVODSQ-GQCTYLIASA-N	00001100000000000000000000000000000000000000000000000000	06-01-003752
CC(C)(C)CC1CC(=C1)C(=O)O	PC-id_86675038,SCHEMBL14243589	168.233	YELOQCAGDPMPGS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003753
CCCCCC1=C(CC1)C(=O)O	PC-id_88469903,SCHEMBL9484047	168.233	ZZKWEWATJSRLDU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003754
CCCCCC1(CC=C1)C(=O)O	SCHEMBL9484970,PC-id_88470000	168.233	LRCXCEISFGGTOU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003755
CCCCCCC1=C(C(=O)C1)O	SCHEMBL8642896	168.233	KDENZZCPQSRNQS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003756
CCCCCC(=O)OC1=CCC1	SCHEMBL1029948	168.233	DMDPWNRXLUVGCN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003757
CCCCOC(=O)C1=C(CC1)C	SCHEMBL9299135,PC-id_53886893	168.233	HNUBOFOGAYZBTE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003758
CCCCOC(=O)CC1=CCC1	SCHEMBL11442842	168.233	NPOVHKPCHWAFLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003759
CC[C@H]1C=C([C@@H]1CC)C(=O)OC	EMOLS-id_337900823	168.233	GTCCVXSIYYORDY-JGVFFNPUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003760
CC(C)OC(=O)C1=CC(C)(C)C1	EMOLS-id_337900061	168.233	ZVWODXLTEMCIOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003761
CCOC1=CC(=O)C1(C)CCC	PC-id_21919694,SCHEMBL2980870	168.233	TYSRTVQJIIEYRC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003762
O(C1(C(=O)C(=C1)CCCC)C)C	PC-id_11789608	168.233	QABDFWUUFUQDPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003763
O(C1(C(=O)C(=C1)C(C)(C)C)C)C	PC-id_15738826	168.233	VOZYKKCRENPLRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003764
O(C(=O)C1=C(CC1)CCCC)C	PC-id_54277148	168.233	ROEUCRMGGHHPTD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003765
O(C(=O)C1=CC(C1CC)CC)C	PC-id_86193764	168.233	GTCCVXSIYYORDY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003766
OC(=O)C1=C[C@H](C1)CC(C)(C)C	SCHEMBL17756014,PC-id_121340188	168.233	YELOQCAGDPMPGS-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003767
O(C(=O)CCCCC1CC=C1)C	PC-id_85730241	168.233	AVHCBVQBIZHWSA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003768
CCC(CN=O)C(C1CC=C1)N	SCHEMBL20393794,PC-id_135235379	168.236	BAGYUKIUQMPSLC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003769
N/C(=CCCCN)/[C@@H]1CC(=C1)O	SCHEMBL19393309	168.236	JECIRTSHGHPEJI-MEVQIBDESA-N	00001100000000000000000000000000000000000000000000000000	06-01-003770
[Si](C1=C(C(=O)C1=O)C)(C)(C)C	PC-id_14931872	168.265	PNFLWRDOZITZCV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003771
CC(C(C1=CCC1)(C(C)C)O)C	PC-id_121217059	168.276	XXSSYNMPSXGIML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003772
CCCCC(C1=CCC1)CCO	SCHEMBL10335949,PC-id_88595285	168.276	LJAFSHSPMSLITC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003773
CCCCCC1=C(CC1)CCO	SCHEMBL10335951,PC-id_88595286	168.276	AIUIZHJMOWJINN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003774
CCOCCCCCC1=CCC1	SCHEMBL18286727	168.276	DGAAMBZRZCSCDF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003775
OC1(CC(=C1)CCCC)C(C)C	PC-id_10241202	168.276	MBTFKBVPPHXHMM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003776
CC=C1C(=C(C1=S)C=C)S	PC-id_87066361	168.279	NMXXJAMGFMJFDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003777
C/C=C
/C(=C(C1=S)C=C)S	SCHEMBL101003	168.279	NMXXJAMGFMJFDP-XQRVVYSFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003778
[Si](C1=C(CC1)C(=O)C)(C)(C)C	PC-id_10057918	168.308	GIEVYCDCOSWCGL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003779
[Si](C1=CC(=O)C1(C)C)(C)(C)C	PC-id_13382761	168.308	KQLNINGODHVCHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003780
ClC1=C(CC1(F)F)C(=O)O	PC-id_11147957	168.526	NPGTXALCBZKSBT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003781
ClC1=C(OC)C(F)(F)C1=O	SCHEMBL11854262,PC-id_21529352	168.526	PSFODIBBQUJJMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003782
CCOCCOC(=O)C1=NC=C1	PC-id_153756101	169.074	FGJCIGDCHNVMRH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003783
CC(C)(C)OC(=O)N1[CH-]C(=C1)N	PC-id_153903934	169.098	LXYSGWPPFYRTBY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003784
CC1=CN(C1)C(=O)OC(C)(C)C	PC-id_163575848	169.11	GDKBFWDVPJNVHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003785
CCOC1=C(CC1)C(=O)N(C)C	PC-id_154384726	169.11	ZFDDNAJCWXYPIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003786
C1=C(C(=O)C1=O)C(CN)C(=O)O	PC-id_87514232,SCHEMBL3351279	169.135	SQJPBINYLQQPHA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003787
C1=C(C(=O)C1=O)NCCC(=O)O	PC-id_88191081,SCHEMBL7718309	169.135	QEVKEPYWVNPEIA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003788
CC(C1=CC(=O)C1=O)(C(=O)O)N	SCHEMBL3351274,PC-id_87514231	169.135	IPGDUTJZKIKOGK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003789
CC(C(=O)C(=O)O)OC1=NC=C1	PC-id_69120842,SCHEMBL4632263	169.135	YMDHVEFHGQJWML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003790
CCC(=O)ONC1=CC(=O)C1=O	SCHEMBL7718307,PC-id_88191080	169.135	WJWWLENFIMOBCK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003791
O(CCC(=O)C(=O)O)C1=NC=C1	PC-id_69120844,SCHEMBL4632267	169.135	AGQLESIIZQLLEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003792
CCC(CCC1C=C(C1C)N)O	PC-id_155032060	169.147	FFMBAIFPZFDJKA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003793
C[C@H]1C(C=C1OC)CCN(C)C	PC-id_163683368	169.147	JMSNLPQJCFRNCI-IENPIDJESA-N	00001100000000000000000000000000000000000000000000000000	06-01-003794
CCC(C1=CN=C1C(=O)O)OC	PC-id_67743749,SCHEMBL8989734	169.178	DAVUVHBROKCTDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003795
CCCC1=C(OC)N=C1C(=O)O	SCHEMBL8989731,PC-id_53797088	169.178	FFTMXGHHTLWAIU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003796
CCCCOC1=C(N)C(=O)C1=O	PC-id_14545034,SCHEMBL7905803	169.178	KORMWDWAMSITGR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003797
CC([C@@H](C1=C(O)C(=O)C1=O)N)C	PC-id_102244083	169.178	FZAWELBTMOLOGN-YFKPBYRVSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003798
CCCNC1=C(C(=O)C1=O)OC	PC-id_139636167	169.178	NGPQPVGZHDGPIW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003799
CCCN(C1=C(O)C(=O)C1=O)C	SCHEMBL16921877,PC-id_118244914	169.178	UFMYBVQEHAJAES-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003800
CCC(NC1=C(O)C(=O)C1=O)C	SCHEMBL21132160,PC-id_138750317	169.178	ZGIFJDXQKGIBNL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003801
CCNC1=C(C(=O)C1=O)OCC	PC-id_89088198,SCHEMBL13449908	169.178	WQNYKEKSZZHAGR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003802
CCN(C1=C(O)C(=O)C1=O)CC	PC-id_102130938	169.178	RXCZKBUDQWEULE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003803
CC(N(C1=C(O)C(=O)C1=O)C)C	PC-id_118244955,SCHEMBL16921923	169.178	HEVPLJXVPQBVBG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003804
CCOC1=C(C(=O)C1=O)N(C)C	SCHEMBL7919543,PC-id_22009931	169.178	ZWCKDVULBGHPIJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003805
CCOC1=C(OCC)N=C1C=O	PC-id_142770972	169.178	WJQBXEKFZWRNPZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003806
CNC(=O)C1=C(C(=C1)OC)OC	PC-id_134568656,SCHEMBL20218982	169.178	XBGKHVOSWZKWBG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003807
COC1=C(C(=O)C1=O)NC(C)C	SCHEMBL17532555,PC-id_118895071	169.178	AFQSRGZURBWFDK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003808
COC(=O)CNC(=O)C1=CCC1	SCHEMBL2523214,PC-id_24802879	169.178	PZNUTMFNJJTZMF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003809
O=C1C(=C(C1=O)NC(C)(C)C)O	PC-id_58663186,SCHEMBL14327880	169.178	SKMAEQDPSDMJBG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003810
O=C1C(=C(C1=O)OC(C)(C)C)N	SCHEMBL7872728,PC-id_15220892	169.178	LWHITFCLBHBNTJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003811
OC1=C(C(N)C(C)C)C(=O)C1=O	PC-id_86025532	169.178	FZAWELBTMOLOGN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003812
OC1=C(C(N)CCC)C(=O)C1=O	PC-id_86086429	169.178	SJYHKCLHTSSDSA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003813
O(CCCC)C1=C(N=O)CC1=O	PC-id_22009926	169.178	SIYXCIKXXMBUHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003814
O=CCCNC1=C(CC1)C(=O)O	SCHEMBL17262901,PC-id_118515735	169.178	OPFWHOBFSLRYAI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003815
OCC(NC1=CC(=O)C1=O)(C)C	PC-id_140997523	169.178	JNWKJLLEZUGGQL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003816
O(NC1=CC(=O)C1=O)CCCC	PC-id_54123239	169.178	NPEMAUZYNFVAID-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003817
CNC(=O)NNC(=O)C1=CCC1	EMOLS-id_96102294	169.181	FEYGSZCGIVQGKK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003818
CC1=C[C@@](C1)(C#N)/C(=CC#N)/C#N	LI_47311,CoCoCo_5466233	169.183	RUVLWZKKGQGLBV-DEOKZEPKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003819
N#CC1(CC(=C1)C)C(=CC#N)C#N	PC-id_281896	169.183	RUVLWZKKGQGLBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003820
N#CC1(CC(=C1)C)/C(=C/C#N)/C#N	PC-id_5382242	169.183	RUVLWZKKGQGLBV-XNWCZRBMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003821
N#C/C=C(/[C@@]1(C#N)CC(=C1)C)C#N	CoCoCo_5466232	169.183	RUVLWZKKGQGLBV-AEQWBEDWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003822
N#C/C=C([C@]1(C#N)CC(=C1)C)/C#N	CoCoCo_5466234	169.183	RUVLWZKKGQGLBV-XLDBQWFASA-N	00001100000000000000000000000000000000000000000000000000	06-01-003823
N#C/C=C(/[C@]1(C#N)CC(=C1)C)C#N	CoCoCo_5466235,NSC134902	169.183	RUVLWZKKGQGLBV-HDQHCQLZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003824
CN(C1C(=C(C1=O)N(C)C)[O-])C	PC-id_102002405	169.201	YDJJLHDFLJBIHW-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-003825
CN(C)C1=C(O)C(=[N+](C)C)C1=O	PC-id_360509,ZINC22_16953003	169.201	YNLZGALCALRTFU-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-003826
CC(CN(C1=C(C)C(=O)C1=O)[3H])C	PC-id_57982014,SCHEMBL7860977	169.213	WXKRNIJTVLTKQS-MNYXATJNSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003827
CCN(CC)C(=O)C1=CC(O1)C	PC-id_91548393	169.221	LONYVTVRVXLNNS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003828
O(CC1CC=C1)CC(=O)N(C)C	PC-id_85730223	169.221	VUNVCEUDDFCIBQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003829
O(C(=O)NCC1(CC(=C1)C)C)C	PC-id_23264407	169.221	NPLXWBDWLKKEFN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003830
CC/C(=C([C@H]1C=C([C@@H]1C)C)/F)/N	SCHEMBL21283292,PC-id_139423726	169.239	ODJZWZJGAQZUHE-SUYFDSAASA-N	00001100000000000000000000000000000000000000000000000000	06-01-003831
CCN(C1=CC(=O)C1=S)CC	PC-id_135329723,SCHEMBL20500837	169.244	BBTSKBDLIAXROH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003832
CCN(C1=CC(=S)C1=O)CC	SCHEMBL20500883,PC-id_135329768	169.244	NDWGZPKSWNQVOQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003833
S(C1=NC(C1)(C(=C)C)C)CC	PC-id_11658349	169.287	MJJILZNKGUKRSG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003834
CC1C(C(=C1C(=O)O)C(=O)O)C	PC-id_154252498	170.058	BUNZPCNYPQZJLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003835
FC1(F)C(F)(F)C=C1C(=O)O	SCHEMBL11436283,PC-id_20491399	170.062	KRBNDVXUYPVBCV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003836
C1(=C(C(=O)C1=O)C(=O)O)C(=O)O	PC-id_91884025	170.076	SVCGVOVHTKSVPW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003837
CCOC1=C(CC1)C(=O)OCC	PC-id_160818436	170.094	SFFHRGRNFGQEJK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003838
CCOC1=CC(C1(F)F)(F)F	PC-id_140227302	170.105	FZHWQNLOVJVTIN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003839
CC(=O)NCCN[C@H]1C(=CN1)N	PC-id_163631153	170.117	HWEGEHHSKMEGDV-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003840
S1C(C(=C1C(C)(C)C)C)(C)C	PC-id_85726915	170.315	QRFDDGAZUFCAJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003918
C1=C(C(=O)C1=O)C(=O)C(CO)O	PC-id_91216107	170.12	TVIWPSHSHLZDMW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003841
C1(=C(C(=O)C1=O)N)NCC(=O)O	PC-id_10103573,SCHEMBL9204756,CHEMBL1205743	170.123	JTTXYNACSOASTF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003842
CP=C1C(=C(C1=PC)C)C	PC-id_102356603	170.128	UPEYUONGKAOIPG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003843
C1(=C(C(=O)C1=O)OCC)OCC	MCULE-4301582390,EMOLS-id_496997,SCHEMBL94221,TIMTEC120231,ZINC22_2140852,PC-id_123228	170.163	DFSFLZCLKYZYRD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003844
CC1=C(C)[C@H](C(=O)O)[C@H]1C(=O)O	CoCoCo_5506885,NSC167994,ZINC22_1664413,NSC167510,PC-id_92155618	170.163	GUEONWKFKFCICE-WDSKDSINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003845
CC1=C(C)[C@@H](C(=O)O)[C@@H]1C(=O)O	LI_53298,LI_53093,PC-id_92155617,CoCoCo_5506883,ZINC22_1664412	170.163	GUEONWKFKFCICE-PHDIDXHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003846
CC1=C(C)[C@H](C(=O)O)[C@@H]1C(=O)O	PC-id_92155616,ZINC22_1664411,CoCoCo_5506884	170.163	GUEONWKFKFCICE-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003847
CCCCOC1=C(O)C(=O)C1=O	SCHEMBL7893134,PC-id_13878803	170.163	BOZAIOOCYIYQOC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003848
CC(C)OC1=C(C(=O)C1=O)OC	PC-id_89965292,SCHEMBL15468476	170.163	RYOYQFDLTXHZHC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003849
CCOC1=C(C(=O)C1=O)C(C)O	PC-id_88559949,SCHEMBL10062885	170.163	RWJXNHCGZOZHAH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003850
CCOC(=O)C1=C(CC1)C(=O)O	PC-id_87106019,SCHEMBL433386	170.163	RFJQQXLWEGZASU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003851
COC(C1=C(C=C1)C(=O)OC)O	PC-id_134888113	170.163	FVJONYPMBGKXCM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003852
COC(=O)C1=C(CC1)C(=O)OC	MCULE-4944601695,PC-id_317455,NSC249256,ZINC22_5409750,CoCoCo_5557129,SCHEMBL5607056,LI_61544,EMOLS-id_30495990	170.163	YCWIAJMHYRJHSR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003853
COC(=O)C1C=CC1C(=O)OC	PC-id_573877,EMOLS-id_337895449	170.163	JVUZUQBWCVDGGJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003854
COC(=O)C1=CCC1C(=O)OC	SCHEMBL2340043	170.163	FGXHIIHEJQXGAF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003855
COC(=O)[C@H]1C=C[C@H]1C(=O)OC	EMOLS-id_337899288,PC-id_10855912	170.163	JVUZUQBWCVDGGJ-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003856
COC(=O)[C@@H]1C=C[C@H]1C(=O)OC	EMOLS-id_337899289,PC-id_101606556	170.163	JVUZUQBWCVDGGJ-PHDIDXHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003857
COC(=O)[C@H]1C=C[C@@H]1C(=O)OC	PC-id_101606555	170.163	JVUZUQBWCVDGGJ-WDSKDSINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003858
O=C1C(=C(C1=O)OC(C)(C)C)O	PC-id_22910856,SCHEMBL8640723	170.163	LSDDDLBKPCTWQP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003859
OC1(C(=C(OC)C1=O)OC)C=C	PC-id_15686145	170.163	TZJNWQHEQATZNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003860
O(C1=C(OC(=O)C)CC1)C(=O)C	PC-id_15833729	170.163	JGPKAYKGRUGORK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003861
OC(=O)C1C(C(=C1C)C)C(=O)O	PC-id_296938	170.163	GUEONWKFKFCICE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003862
O(C(=O)C1(CC=C1)C(=O)OC)C	PC-id_11309767	170.163	YQYOHJJJPGZNAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003863
C
(=N/CCCN)/C(=C(C1=O)O)O	CHEMBL1184185	170.166	FMJXWUZHESOTCD-RUDMXATFSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003864
O(C(C)(C)C)C(=O)NC1=CNC1	PC-id_68933246,SCHEMBL4151983	170.209	CUUOVTZGPUAVDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003890
CCCN(C1=C(C(=O)C1=O)O)N	SCHEMBL15597855,PC-id_90063611	170.166	OETMULRSMYOTSB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003865
CC(C)N(C1=C(C(=O)C1=O)O)N	SCHEMBL15598006,PC-id_90063754	170.166	PDBDJZMYCFMQBP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003866
CCCN(C1=C(N)C(=O)C1=O)O	SCHEMBL10934948,PC-id_53987796	170.166	KCTOKPARVXBXLM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003867
CCC(NC1=C(N)C(=O)C1=O)O	SCHEMBL10934953	170.166	DFKGXCKSPUPSNB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003868
CCOC1=C(N(C)N)C(=O)C1=O	PC-id_2781293,ZINC22_2555921	170.166	WIDAVRPWQRQITQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003869
NCCN(C1=C(O)C(=O)C1=O)C	PC-id_118245033,SCHEMBL16922014	170.166	CGHHYEXTKPHHGJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003870
OC1=C(NCCCN)C(=O)C1=O	PC-id_10844864	170.166	QTGQXVZBIPUMBF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003871
O(C1=C(NN(C)C)C(=O)C1=O)C	PC-id_13508870	170.166	WONGEMLWAZNGQC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003872
OCCCNC1=C(N)C(=O)C1=O	SCHEMBL10908550,PC-id_20280852	170.166	SRNGAYDJIBZIHZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003873
ONC1=C(C(=O)C1=O)NC(C)C	PC-id_101387493	170.166	AHQGAGKBBURMTA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003874
C1(=C(C(=O)C1=O)N(N)C)N(N)C	MCULE-3680037691,PC-id_2735524,ZINC22_4284616	170.169	XXUGJMGVSIRHFO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003875
C1=CC(=N1)N(C1=NC=C1)C1=NC=C1	SCHEMBL10793630,PC-id_70445628	170.171	ZORRQROOVSTPSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003876
CCOC1(CC=C1C=O)OCC	PC-id_88906319,SCHEMBL12330245	170.206	UNYOGZWECIWEHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003877
CCOC(=O)[C@@H](CC1=CCC1)O	PC-id_101434192	170.206	XHGHUMOCXXFWHO-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003878
COC(=O)C(CCC1=CCC1)O	PC-id_88434022,SCHEMBL9245468	170.206	GYEVBACVXPNXJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003879
COC(=O)C(O)C1=CC(C)(C)C1	EMOLS-id_337899540	170.206	YIELTTRAMDAKHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003880
O(C1=C(CCCC)C(=O)C1O)C	PC-id_85531972	170.206	TYOAASHIPIRFNA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003881
O(C1=C(C(=O)C1OC)C)C(C)C	PC-id_10725833	170.206	GCRQVAZCURISON-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003882
O(C1(OC)C(C=C1C(=O)C)C)C	PC-id_45086532	170.206	XYKLPCFERLVWAK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003883
OC(C1=CCC1)C(C)C(=O)OC	PC-id_560423	170.206	RRCALQYAYHYLLH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003884
O(CCC1CC(=C1)C(=O)O)CC	PC-id_57285810	170.206	GBVHGKMFMIXAOD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003885
O(C(C)(C)C)C1=CC(=O)C1(O)C	PC-id_10352117	170.206	ZBTNVIWPUOBTST-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003886
CCCNC1=C(C(C1=O)O)NC	SCHEMBL20927289,PC-id_138569406	170.209	WZGSMEPPHLIHJS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003887
CN(C1C(=C(C1=O)N(C)C)O)C	PC-id_102002406	170.209	YDJJLHDFLJBIHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003888
CN(C1=CC(=O)C1O)CCNC	PC-id_143338011	170.209	PKTLMTXHGYNFFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003889
O=C(N1CC(=C1)N)OC(C)(C)C	PC-id_140264848	170.209	XSBSVHOEPHDEKO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003891
O=S(=O)(C1=CCC1)C1=CCC1	PC-id_140993245	170.229	XWSHJCYYVPDSJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003892
O=S(=O)(C1CC=C1)C1CC=C1	PC-id_141007657	170.229	XAOKVPZKJYIATL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003893
CC(CCCCC1=CCC1)P	PC-id_89399213,SCHEMBL14669260	170.232	XCDHKZYEDUXYLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003894
NCCNC1=C(C)C(=O)C1=S	PC-id_139376936,SCHEMBL21231178	170.232	YBAAEUTUWVVHJU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003895
NCCNC1=C(C)C(=S)C1=O	PC-id_139377004,SCHEMBL21231258	170.232	VHWVMEZABJUVAD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003896
CC(C)OC1=C(CC1)OC(C)C	PC-id_91012486	170.249	SYBMRXPJKMNIIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003897
C[C@H]([C@@H](C[C@H]1CC=C1)O)OCC	CoCoCo_5445982	170.249	IWCQSZJSGONUMD-OPRDCNLKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003898
C[C@H]([C@H](C[C@H]1CC=C1)O)OCC	CoCoCo_5445983	170.249	IWCQSZJSGONUMD-BBBLOLIVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003899
C[C@@H]([C@H](C[C@H]1CC=C1)O)OCC	CoCoCo_5445984	170.249	IWCQSZJSGONUMD-AEJSXWLSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003900
C[C@@H]([C@@H](C[C@H]1CC=C1)O)OCC	CoCoCo_5445985,LI_43773	170.249	IWCQSZJSGONUMD-IVZWLZJFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003901
C[C@H]([C@H](C[C@@H]1CC=C1)O)OCC	CoCoCo_5445986	170.249	IWCQSZJSGONUMD-UTLUCORTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003902
C[C@@H]([C@H](C[C@@H]1CC=C1)O)OCC	CoCoCo_5445987	170.249	IWCQSZJSGONUMD-GUBZILKMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003903
C[C@H]([C@@H](C[C@@H]1CC=C1)O)OCC	CoCoCo_5445988	170.249	IWCQSZJSGONUMD-KXUCPTDWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003904
C[C@@H]([C@@H](C[C@@H]1CC=C1)O)OCC	NSC120537,CoCoCo_5445989	170.249	IWCQSZJSGONUMD-LPEHRKFASA-N	00001100000000000000000000000000000000000000000000000000	06-01-003905
CC(O[C@@H]1C=C[C@@H]1OC(C)C)C	PC-id_102291755	170.249	ZUISSRPQJNBLOG-AOOOYVTPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003906
COCC1=C(C)[C@H]([C@H]1OCC)C	PC-id_100960142	170.249	SQMMWUIENNMMQY-PSASIEDQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003907
COCC1=C(C)[C@@H]([C@H]1OCC)C	PC-id_100960143	170.249	SQMMWUIENNMMQY-WCBMZHEXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003908
O(C1(C(O)C(=C1)C(C)(C)C)C)C	PC-id_15738827	170.249	KBJOYKDMEUSSOA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003909
O(C1(C(O)C(=C1)CCCC)C)C	PC-id_85678751	170.249	UJPMARCLNJJFMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003910
O(CC1CC(=C1)COCC)CC	PC-id_57135361	170.249	DYNQLBVPTHQYOU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003911
O(CCC1CC(=C1)CCOC)C	PC-id_57213740	170.249	ITYOWTADYJXEBT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003912
O(C(C(O)CC1CC=C1)C)CC	PC-id_274480	170.249	IWCQSZJSGONUMD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003913
NCCCCCCNC1OC=C1	PC-id_140166685	170.252	ADADJBFFOMVYGQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003914
O=C(C1SC=C1)C1SC=C1	PC-id_139609248	170.252	VMWOILMSHPGVAB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003915
CC(SC1=CC(C1=O)(C)C)C	PC-id_141067813	170.272	HZPBKGWHOVRGSP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003916
ClC(=O)C1=C(C(C1)(F)F)F	SCHEMBL10784649,PC-id_20194959	170.517	KELNBAWPMZEKFC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003919
C=CC(C1=C(Cl)C(=O)C1=O)C	PC-id_101639118	170.593	DSNFBDWDFFEOGO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003920
CC(=C)CC1=C(Cl)C(=O)C1=O	PC-id_101639117	170.593	PJTFHGSMPPVEHU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003921
C[Ge](C1CC=C1)(C)C	PC-id_102051187	170.826	BHSFTKYRSCUJFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003922
CC1(CC(=C1)C#N)Br	PC-id_154117407	170.968	LJQVRHUWFRYMDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003923
CC1(C(=CC1(C)[N+](=O)[O-])OC)C	PC-id_164151661	171.09	ZFFCNKOPUDAFRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003924
CC(=O)OC1=NC(=O)C1CCO	PC-id_67896144,SCHEMBL9632619	171.151	GLUMUKNJYLCYDI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003925
O(C1=C(NCCO)C(=O)C1=O)C	PC-id_85594905	171.151	FHENCPRUHUZZMN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003926
O(C1=C(NCOC)C(=O)C1=O)C	PC-id_85521659	171.151	YKLBSYJFYVJYCL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003927
ON(C(C)C)C1=C(O)C(=O)C1=O	PC-id_11240736	171.151	SZTDDMGSUKYYDX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003928
C(CN(C1=C(C(=O)C1=O)O)N)N	PC-id_90063805,SCHEMBL15598059	171.154	FDKLNIQNFZBJMN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003929
CC1CC=C1/C(=C(/C(=O)O)N)/F	PC-id_134250386	171.169	QTAAOSSOWSOYPY-VOTSOKGWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003930
C[C@@H]1CC=C1C(=C(C(=O)O)N)F	SCHEMBL19860667	171.169	QTAAOSSOWSOYPY-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003931
CC(C(C)(C)C1=CC(=N)P1)O	PC-id_89078230	171.177	HNHSAIDSRQBQLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003932
C[C@@H](C(C1=CC(=P1)N)(C)C)O	SCHEMBL13391870	171.177	CJHQHPSRTQDPDG-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003933
OC1CN=C1C(=O)OC(C)(C)C	PC-id_68733064,SCHEMBL3659067	171.194	CUNRPFGWZZPWEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003934
OCC1C(C=C1)C(=O)N(OC)C	PC-id_73094408	171.194	GZIHQLIMMHPLBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003935
O(C(C)(C)C)C(=O)N1CC(=C1)O	PC-id_68668960,SCHEMBL3505154	171.194	LRHBSMWCLXAKNY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003936
OC[C@@H]1[C@@H](C=C1)C(=O)N(OC)C	PC-id_11769004	171.194	GZIHQLIMMHPLBE-RNFRBKRXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003937
CCCNC1=C(S)C(=O)C1=O	PC-id_139636166	171.217	YGFYAEMNAWWNAO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003938
S(C1=C(N(C)C)C(=O)C1=O)C	PC-id_20712506	171.217	CNXMAXOWERKQIR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003939
S(C1=C(NCC)C(=O)C1=O)C	PC-id_20712508	171.217	LYERTNDHUFAFSI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003940
CCCCC[N+]1(C=CC1(C)O)[O-]	PC-id_87342921,SCHEMBL2141906	171.237	LJPCHEKBSZMPMM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003941
C=C/C=CC(=C/C(=C)C)C1=CN=C1	SCHEMBL18962590	171.238	ZDUATPSWHNHMQP-GNLLZQBYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003942
CCC1CC(=N1)CCC(C)(C)F	SCHEMBL15160427,PC-id_89729185	171.255	PFFAUVAIKCDCBT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003943
C/C=C/[CH]/C=C/CC1=CC(=C1)C=C	PC-id_143683092	171.258	AVEQQENHUJDCDT-VSAQMIDASA-N	00001100000000000000000000000000000000000000000000000000	06-01-003944
CSC1(CC(=C1)C#N)SC	PC-id_89289632,SCHEMBL14260181	171.283	DWOIQCZUIJTWBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003945
CCC1=NC(C1)C(C)CSC	PC-id_90748908	171.303	AYQPALQRNRYEQT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003946
CCSC1=NC(C1(C)C)(C)C	SCHEMBL9212155,PC-id_14472334	171.303	VIGZTHPZKSQZCR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003947
CCSCC(C)C1CC(=N1)C	PC-id_91483881	171.303	SHQBIYIOLSWFCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003948
CN(C)C(CC1=CCC1)CS	SCHEMBL19881619,PC-id_134268210	171.303	OZOBENITUIULAH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003949
ClC1C(=C(Cl)C1=O)Cl	PC-id_54051	171.409	IAFSBPAKGGVODH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003950
ClC1(Cl)C(=O)C(=C1)Cl	PC-id_57281150	171.409	PLPNADSKKSRCOS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003951
C1CN=C1SSC2=NCC2	PC-id_154708104	172.013	WKXXSZMMXPICMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003952
O=COC(=O)C1=C=P(=O)C1=O	PC-id_142722147	172.032	RMOFHRXUCCPDLC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003953
CC1C(=C(O1)C(=C)Cl)C(C)C	PC-id_163776621	172.065	MLALGVHRNWQUMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003954
C1CC(=C1)C(C(F)(F)F)(F)F	PC-id_87084151,SCHEMBL250811	172.096	QDAJZUDDMNKXFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003955
CC1=C(C(C1(F)F)(F)F)CF	SCHEMBL254950,PC-id_87084980	172.096	PUIUAAOWPXZMTF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003956
CCC1=C(F)C(C1(F)F)(F)F	PC-id_140001378	172.096	KQVVRTXGGMIXRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003957
FC1(F)CC(=C1C(F)(F)F)C	PC-id_54403519	172.096	VPBZYWBLDOXRKZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003958
FC(F)(F)C1=CS(=O)(=O)C1	EMOLS-id_324093404	172.126	BMRMNDMCRPTCPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003959
COC1CC(=C1C(=O)O)C(=O)O	PC-id_88110765,SCHEMBL7196467	172.135	WLUNLXBHIYYTKS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003960
NC(=O)OC1=C(CC1)OC(=O)N	PC-id_119097879	172.139	NCXGGBIZKRMIDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003961
[2H][C@@]1(C=C[C@@]1([2H])C(=O)OC)C(=O)OC	EMOLS-id_337899288	172.175	JVUZUQBWCVDGGJ-YVWJWNHSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003962
[2H][C@]1(C=C[C@@]1([2H])C(=O)OC)C(=O)OC	EMOLS-id_337899289	172.175	JVUZUQBWCVDGGJ-SGDHHONOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003963
COC1=C(C)C(=O)C1(OC)OC	SCHEMBL3182927,PC-id_10397241	172.178	MAUQDKOVVJAZDI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003964
COCOC1=CC(C1)C(=O)OC	EMOLS-id_337900825,PC-id_13992376	172.178	TWDFKBNFSZINEI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003965
COC(=O)C1=CCC1(OC)OC	PC-id_14942180,EMOLS-id_317510927,MCULE-1313851624	172.178	QYPCLNMLLYSGNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003966
OCC1=C(C(=C1CO)CO)CO	PC-id_85580822	172.178	PRZWEWMVTGBCNZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003967
OC(=O)C1=CSC1CC1CO1	SCHEMBL9356079	172.202	SWNCYTHBBCJEPW-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-003968
C1=CNC1=NC(CS)C(=O)O	PC-id_135574491	172.205	NTWRJGTZIRTGGW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003969
C1=CNC1=N[C@@H](CS)C(=O)O	PC-id_136138648	172.205	NTWRJGTZIRTGGW-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003970
COCCCCOCC1=COC1	SCHEMBL10084440,PC-id_68030674	172.222	SGXIOFWUXOJJEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003971
OC(C1(C(C=C1)(CO)C)C)CO	PC-id_73126483	172.222	UVYYDHJVEYXWMT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003972
O[C@@H]([C@@]1([C@@](C=C1)(CO)C)C)CO	PC-id_11851360	172.222	UVYYDHJVEYXWMT-HRDYMLBCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003973
CC(C)(C)[P+]1(CC(=C1)CN)C	PC-id_134454086	172.228	IBTHEVBPBLXRSA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003974
CC(C([C@]1(C)C=C[C@]1(C)F)C)O	PC-id_138664875	172.24	LSEXHAVUOCIBOG-QLEHZGMVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003975
CC([C@H]([C@]1(C)C=C[C@]1(C)F)C)O	SCHEMBL21034942	172.24	LSEXHAVUOCIBOG-ITRGKUQCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003976
CC=CC=C1C(=C)C(=C1C=CC)C	PC-id_91104871	172.266	OKCGOVMTJFWIOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003977
OC(C1SC=C1)C1SC=C1	SCHEMBL18648997	172.268	BVOPNVZRTRKJPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003978
S=C1C(=C(N)C1=S)N(C)C	PC-id_20712495	172.271	SRHNZQHSRPWBTH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003979
S=C1C(=C(N)C1=S)NCC	PC-id_20712496	172.271	ATUQFEHOOYJYMQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003980
S=C1C(=C(NC)C1=S)NC	PC-id_20712494	172.271	UMFVXZPPPINHLI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003981
CC(N(C)C1C=CN1C)SC	SCHEMBL20326273,PC-id_135175902	172.291	NTKRAWITTMXRIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003982
OC1=C(C(O1)(C)[Si](C)(C)C)C	PC-id_102509946	172.297	JYJGEAGKEDISFX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003983
[Si](C)(C)(C)C#CC1=C(C=C1)C#C	PC-id_10881504	172.298	HYEBQZMOPWTGPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003984
CCCCCC1=CC(=S)S1	PC-id_145864249	172.311	YOIABPDNRPGDKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003985
[SiH3]C1=C([SiH3])C(=C1[SiH3])[SiH3]	PC-id_101511436	172.48	AOBXLERPEUCVNK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003986
C=CC(C1=C(CC1)Cl)C(=O)O	PC-id_88757076,SCHEMBL11295959	172.609	HMLMFUOQBZGMIO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003987
ClC(=C)COC(=O)C1=CCC1	EMOLS-id_313653304	172.609	HEOYAPZHOYLDAX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003988
ClC1(C(=CC1=O)CCCC)C	PC-id_13840286	172.652	PCGMBLFYDOSMCN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003989
CC1=C(CC1Cl)CCCCC	PC-id_88490254,SCHEMBL9622411	172.695	YGCVLOSGFUQWOF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003990
CCC(CCC1=CCC1)CCl	PC-id_88490196,SCHEMBL9621936	172.695	YLODOLYFKPHONW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003991
CCCCCC1=CC(C1)CCl	PC-id_88490197,SCHEMBL9621937	172.695	QIQBNUABYAIOTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003992
CCCCC(C1=CCC1)CCl	PC-id_88490253,SCHEMBL9622410	172.695	PVTKLULQNDMSAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003993
CCCCCC1=C(CC1)CCl	SCHEMBL9622415,PC-id_88490255	172.695	AFBQWDUOXNUOLG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003994
ClC1=C(Cl)C(=O)C1(F)F	PC-id_23233712	172.945	RINIHWCBZDVWDT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003995
CC(C)(C1=CC=C1)Br	PC-id_90988598	173.05	HQDMXPLVRYARCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003996
C=CCC1(C#CO1)O[P+](=O)O	PC-id_88309513	173.083	LBOBZZPKYDRCLA-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-003997
NCCOOC1=C(O)C(=O)C1=O	SCHEMBL248929	173.123	QDNZRJXQAUXCEE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-003998
CC(C1C=[N+](C1OC(=O)C)[O-])O	PC-id_88645013,SCHEMBL10646602	173.167	PPKNBNJCPSLTPG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-003999
CC(NC1=C(C(=O)C1=O)O)S	PC-id_134546620,SCHEMBL20194036	173.19	QCHXMLBLGWWQPB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004000
NCCSC1=C(O)C(=O)C1=O	PC-id_102420454	173.19	MYRNCZHYOUERRI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004001
SCCNC1=C(O)C(=O)C1=O	PC-id_85594904	173.19	MLPCRADRBYWWIU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004002
C[N+](C)(C)CC(C1C=C[P-]1)O	PC-id_88363612,SCHEMBL8773379	173.193	DWPLYAQQLFRNLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004003
C[N+](C)(C)CCOC1C=C[P-]1	PC-id_88363613,SCHEMBL8773381	173.193	GAQIVPWHNLMNQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004004
CS(=O)C1=C(N)C(C1=O)(C)C	PC-id_141170617	173.233	OZHZOGUYPZWIDK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004005
NCC1=CP(C1)(C)C(C)(C)C	SCHEMBL20090346	173.236	PAFXGRCJVMDZHI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004006
S=C1C(=C(OC)C1=S)NC	PC-id_20712510	173.256	BYQMHUOTICQELA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004007
[CH2]/C=CC=C/C=C/C(C1=CCC1)C	PC-id_143683803	173.274	QQKKKJPPNBMDBV-XMOCOHJPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004008
CCN(S1(=C)(C)C=CC1C)C	SCHEMBL18884293	173.319	DDNCKIOGPBZBMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004009
ClC1=C(NC(C)C)C(=O)C1=O	PC-id_13511230	173.597	XXTXGBTXVNDHLT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004010
ClCCCCC(O)C1=NC=C1	SCHEMBL11810074,PC-id_68135205	173.64	QAJZCDWEKSTXTR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004011
C1CC(=C1)CCCBr	PC-id_155169974	174.004	ZBXAQZAFCNBWRF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004012
FC(=C1C(=C(C1(F)F)F)F)F	PC-id_140118191	174.044	NGBRLASBKQFJQD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004013
COC1=C(F)C(F)(F)C1(F)F	EMOLS-id_11473367,PC-id_15836861,ZINC22_16082643,SCHEMBL6141902,MCULE-7463432550	174.069	VTGREVXBYIAJOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004014
OP(=O)OC1(CC=C)OC#C1	SCHEMBL8490011	174.091	BOIXLGRVEQEKTD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004015
COOC1=C(C(=O)C1=O)OOC	SCHEMBL1760851	174.108	MKJMFCHMYAKFQC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004016
OC(=O)C1C(=C(C1C(=O)O)O)O	SCHEMBL7950328	174.108	YRNAFAZNDOKXNQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004017
OC(=O)O[C@@H]1C=C[C@@H]1OC(=O)O	PC-id_119098172	174.108	IBPWLIGKQWGVGW-ZXZARUISSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004018
CC(C1C=CC1O)C(C(O)O)O	PC-id_91172230	174.194	BYANFLZLBUOPNY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004019
OC1(C(O)(C(=C1OC)OC)C)C	PC-id_13442967	174.194	WHLWXQUTNQLJAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004020
C1CC(=C1)CCSPC=O	PC-id_88967815,SCHEMBL12836914	174.2	LGFMMOBAHGOVDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004021
CN=C1CC(=C1)NS(=O)(=O)C	PC-id_137104028	174.221	AMAXFBYQXWGDQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004022
CNC1=C=C(C1)NS(=O)(=O)C	SCHEMBL17780194	174.221	ZJQHZOFTXAATNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004023
CSC1C=CN1OC(=O)NC	PC-id_70560464,SCHEMBL11307525	174.221	OZUMRSMUDRGXEI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004024
CC1=C(CC1)C=CC=C1CCC1=O	SCHEMBL19067768	174.239	ZPEMUQQRLYCKOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004025
C=CC#CCCCC(=O)C1=CCC1	PC-id_101552851	174.239	VAGJWDUOBPAPES-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004026
O=C1CC(=C1)CCCC#CC(=C)C	PC-id_101552853	174.239	XSNXCVBHGCJXNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004027
C1(=C(C(=O)C1=O)SC)SC	SCHEMBL12891608,PC-id_143128,MCULE-8827066008,EMOLS-id_6210164,SPECS-id_AN-967/15490015,CoCoCo_6950616	174.241	VUQDDHLQBBTHIC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004028
C/C=CC(=C/C1=NCC1(C)C)C#N	PC-id_145381195	174.242	RSZASKQLJLQZJY-KMOPYBJPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004029
CCN=C=C(C1C(C)C=C1C)C#N	PC-id_135265358,SCHEMBL20428249	174.242	RVIXHTVYOMROBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004030
NC(=C)C1C(C(=C)C)C23C1(C=C3)N2	SCHEMBL19528637	174.242	APOXEEFOVAVCDO-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004031
CO[Si](C1=CCC1)(OC)OC	SCHEMBL476511,PC-id_21915768	174.27	MKVPFJQZXSECJP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004032
C1CC(=C1CC=C)C#CCCCC	PC-id_10535244	174.282	JKDPLUWJYIHNLD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004033
C1(C(C)(C)C#C)(C(=C(C1=C)C)C)C	PC-id_14954575	174.282	YERZHNRIELUMJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004034
C/C=C(C=C/C(=C)C1C=CC1C)/C	PC-id_141783361	174.282	JNEOCRASUOWCNF-BHHIIOOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004035
CCC1=C(S)C(=S)C1=S	PC-id_59755466,SCHEMBL12432479	174.307	GAHBYIVSANRLJQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004036
C#CC1CC(=C1[Si](C)(C)C)C#C	PC-id_102465571	174.314	XWTYCFQCBFMCJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004037
C[SiH2]OC1=C(CC1)O[SiH2]C	SCHEMBL15095345	174.345	VTJSIERXWQYBEY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004038
[SiH3]C1([SiH3])C=CC1([SiH3])[SiH3]	PC-id_101453024	174.496	BASFHIRPSVMNAT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004039
ClCC1=CC(C1(F)F)(F)F	SCHEMBL19629100	174.524	ZFCYNYBQZJNQEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004040
CC(C)OC1=C(Cl)C(=O)C1=O	ZINC22_15444554,EMOLS-id_17029575,SCHEMBL9273688,PC-id_14961824,MCULE-8202138460	174.582	FOAYRKHCUAPSBU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004041
ClC(=O)C1C(C=C1)C(=O)OC	PC-id_13931700	174.582	CWQZXNNRFPXBDK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004042
C1(=O)C(Cl)C(=C1C)OC(C)C	MCULE-7711301917,PC-id_10975998	174.625	SYGVFFMUAWQILL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004043
C[C@@H]1[C@H](C(=C1OC(=O)C)Cl)C	PC-id_134892823	174.625	IOLQKRTWNZCKIC-RFZPGFLSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004044
C[C@@H]1[C@@H](C(=C1OC(=O)C)Cl)C	PC-id_134892829	174.625	IOLQKRTWNZCKIC-CRCLSJGQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004045
ClC1=C(OCC)C(C1=O)(C)C	PC-id_86134718	174.625	PQHJEDYJIGLZNZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004046
C1=C(C(=C1)OC(=O)Cl)[N+](=O)[O-]	PC-id_162252111	174.967	ZYCSWVLCOFNAEA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004047
CC(=O)C1=CCN1S(=O)(=O)C	PC-id_164166310	175.03	ZRLFKRJCDFOXDX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004048
ClC1(CC(=C1Cl)C=C)C=C	PC-id_86037573	175.055	ILGGZINRUHDUOR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004049
C/C=CCNC1C=CC12C3CC2C3	PC-id_163800253	175.136	NEIFHZMGZVHFKR-IHWYPQMZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004050
C1CC(=C1CO)OC1=C=C(C1)C#N	SCHEMBL8026196,PC-id_88238944	175.184	XTZCAFVWDNWJMM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004051
C#CC1(CC1)NC1=C(C)C(=O)C1=O	PC-id_117627342,SCHEMBL16144094	175.184	VFMPWIVKBPTYHR-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-004052
[O-]C1=C(CC1)C=CC=C1CCC1=O	PC-id_59061819	175.204	GSKBVGMNBIFMDN-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-004053
CN(C)C1=C(CC1CCC#N)C#N	PC-id_134986803	175.23	FLKICRLMYPHHBC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004054
CC(C)(C)S(=O)NC1=COC1	PC-id_91027964	175.249	PCXJLXLAEOEIHD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004055
S1(=O)(=O)CC(=C1)N(CC)CC	PC-id_12244238	175.249	PRKYCPKDZDUKHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004056
S1(=O)(=O)C(C(=C1)N(C)C)(C)C	PC-id_86178819	175.249	CNHQCHDKCRSGCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004057
S(=O)(=O)(C1CC=C1)CCCN	PC-id_58685023	175.249	FNKSUZSYCSCZFC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004058
C/C=CC(=C/C=C)[C@@H](C1=CCN1)C	PC-id_143352438	175.27	VVMSOBDZLCVTRZ-NKSQYJFISA-N	00001100000000000000000000000000000000000000000000000000	06-01-004059
C/C=CC=C/C(=C)N(C)C1=CCC1	PC-id_134510939,SCHEMBL20153604	175.27	UUONODSIZZZWKR-NADLECRISA-N	00001100000000000000000000000000000000000000000000000000	06-01-004060
C1CC(=C1)[SnH3]	PC-id_149433257	175.965	GAQQSTOJCYQYOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004061
C1(=C(C(O1)(F)Cl)F)C(F)F	PC-id_161499924	175.965	WGRVZCAAOCOVBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004062
C1C(=C(C1(F)F)F)C(F)(F)F	PC-id_153883793	176.006	OVESXTHFTBNFNF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004063
C(C1(C(=C(C1(F)F)F)F)F)F	PC-id_88429690,SCHEMBL9221923	176.06	MIDMLMZCUFZOQF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004064
C(C1=C(C(C1(F)F)(F)F)F)F	SCHEMBL250963,PC-id_87084186	176.06	OLEHLNWQKWVBHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004065
FC1(C(F)(F)C=C1)C(F)(F)F	PC-id_22721432	176.06	VPNRCFOGEQKOOQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004066
SC1=C(F)C(F)(F)C1(F)F	PC-id_12828092	176.108	URJHCKIYKOOZCK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004067
O=C(C1=NC=C1)OC(=O)C1=NC=C1	PC-id_142635310	176.129	RDAWVRMMTRJPAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004068
OC1=C(CC1)C=CC=C1CCC1=O	PC-id_59061820,SCHEMBL17833657	176.212	GSKBVGMNBIFMDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004069
N#CC1(CCC1)NC(=O)C1=CCC1	EMOLS-id_96706175	176.215	VCWQCOMEEQYGNL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004070
N#CC(C1CC1)NC(=O)C1=CCC1	EMOLS-id_265304796	176.215	OOKNEIAKNJCZIK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004071
CC1C=C[C@@H]1CCS(=O)(=O)O	SCHEMBL17151190,PC-id_118426525	176.233	VZWNXGNMFINQOM-COBSHVIPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004072
CC(C)(C)OC1=CS(=O)(=O)C1	PC-id_134932887	176.233	PKMHKKOZWWDBSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004073
S1(=O)(=O)CC(=C1)OCCCC	PC-id_13168987	176.233	HLDLTZZNSHRLDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004074
S1(=O)(=O)CC(=C1)OCC(C)C	PC-id_13168988	176.233	GTRSMZUWBKCRMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004075
C=C/C=C/CCCCC1=CC(=O)C1	PC-id_102128848	176.255	CWTKDPFPHNVGHY-ONEGZZNKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004076
O=C1CC(=C1)CCC/C=C/C=C/C	PC-id_71619345	176.255	RSLCTWJTHPNUGD-MQQKCMAXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004077
O=C1CC(=C1)CCCC=CC=CC	PC-id_78136284	176.255	RSLCTWJTHPNUGD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004078
OCCCCCC1=CC(=C1)C#CC	SCHEMBL18923999	176.255	PAPXMAFEALHAPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004079
O(CCCC(=C)C=C)CC1=CC=C1	PC-id_11095169	176.255	LKZOGYVNPCZDMY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004080
C1CC(=C1CC=C)/C=C/CCCC	PC-id_10487518	176.298	PMFFWFYHTATKDE-VQHVLOKHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004081
C1CC(=C1C)C#CCCCCCC	PC-id_10773623	176.298	NDIMTFPLTVJISG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004082
C1CC(=C1CC=C)C=CCCCC	PC-id_85157126	176.298	PMFFWFYHTATKDE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004083
C1(=C(CC1)CC)C(=C)CCCC=C	PC-id_85579572	176.298	JFUNPTFHPHNLFZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004084
[S-]C1=C([S-])C(=S)C1=S	PC-id_102512136	176.303	NQSDKMWFIFYZMX-UHFFFAOYSA-L	00000100000000000000000000000000000000000000000000000000	06-01-004085
ClC1(F)C(F)(F)C(=C1F)O	PC-id_71390789	176.497	ABIUXLCROZJVPC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004086
ClC1=C(SCC)C(=O)C1=O	PC-id_71341984	176.621	SQPSEURHNITBHJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004087
C1=C(C(C1(F)Cl)(F)F)Cl	PC-id_88808411,SCHEMBL11626967	176.952	FIXDDSGUIHCEKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004088
C1(C(=C(C1(F)F)Cl)Cl)F	PC-id_88353101,SCHEMBL8717292	176.952	VIBFXLDXCDBKNS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004089
ClC1=CC(C1(F)Cl)(F)F	SCHEMBL8302892,PC-id_12786839	176.952	WQPXPBJQQXJGIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004090
OC1=C(Br)C(=O)C1=O	SCHEMBL10521646	176.953	ZHSNCPHBWJGYMR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004091
BrC1=C(CC1)C(=O)O	PC-id_22100509,EMOLS-id_260571429	176.996	FKWTXKXGGTYJFA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004092
BrCCC1=CC(=O)O1	PC-id_119096611	176.996	YYJBRIAVEZGWBU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004093
OC(=O)C1(Br)CC=C1	PC-id_140983837	176.996	HRUQOJFPBPPPHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004094
FC(F)(F)COC1=CC(C1)C#N	PC-id_13204893	177.124	XGBUJGWLQNDJOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004095
CC1=[N+]=C(C1)C(C)(C(C)C=C)N=C	PC-id_163832026	177.139	BTPJDQUMSMPMOL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004096
CC1=C(C(C1)N)CCC2CC2C=C	PC-id_160212079	177.152	PICKOVROFHFRNI-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004097
CCC(CC1C=CN1)CC2C=C2C	PC-id_148103878	177.152	JPYWUPZYWILUES-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-004098
O=C1C(=C(C1=O)C#CC(C)(C)C)N	PC-id_142659163	177.2	NECBYMBMCKPAIR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004099
CCC1=C(C)CN1S(=O)(=O)O	PC-id_117809760,SCHEMBL16383685	177.221	WURILFWHSYMRSY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004100
CC1C=CC1CC1C=C(C1C)NC	SCHEMBL20717673,PC-id_137476590	177.286	QEXQLIGLNADBHB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004101
CCC1=C(C(=C)C1=C)N(C(C)C)C	SCHEMBL18772641	177.286	NEVKRFBOZOMPQJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004102
CC(=C)C1C(=C(C1=C)C(C)(C)C)N	SCHEMBL19262288	177.286	IWRJTYQGOKZUOM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004103
[Si](CC1=C(CC1=C)C#N)(C)(C)C	PC-id_86199067	177.318	LMEKXYWWQKFRJT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004104
ClC(=O)O[C@H]1CC=C1[N+](=O)[O-]	SCHEMBL19227185	177.543	KHOIFGJAUVHMKN-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004105
ClC1C(SCCCN)C=C1	PC-id_58684256	177.695	OMSKRXCAWIHTKW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004106
C1=C=CC1I	SCHEMBL9912651,PC-id_88533722	177.971	YQJAOWYIZDQHDE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004107
IC1=CC=C1	PC-id_10903228,SCHEMBL10177686	177.971	CBYXAECCQNXXCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004108
OC1C(=NC1=O)CBr	PC-id_139635902	177.984	XHCCLGCNQUSGQG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004109
P(=O)(O)(O)C1=C(O)C(=O)C1=O	PC-id_11819586	178.037	IRVWBPFTYVUWGN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004110
CC1=C(C(=O)C1=O)NC(=O)CC#N	PC-id_146979338	178.038	ANZQVNMYQPWWIZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004111
COC1=C(CC1(F)F)C(=O)OC	PC-id_148550255	178.044	SCUXTBNSMHEDKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004112
C=CC(=O)OOC1(CC=C1)CC#C	PC-id_154224638	178.063	ZXXBAKDBMNMKDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004113
CC1C(=C[C@]1(C)CC(F)(F)F)C	PC-id_155150331	178.097	XALWSGNBKYREIN-BRFYHDHCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004114
CC1C=C[C@@]1(C)[C@H](C)C(F)(F)F	PC-id_149111409	178.097	QXFRDVXXGYSPKF-ZHFSPANRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004115
C/C=CC(=C/C=C)OC1C(=CO1)C	PC-id_153617895	178.099	RTTRBVHLHZRXSN-ZPRNNRRZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004116
OC(=O)C1=C(C(=C1)C(F)(F)F)C	PC-id_139320133,SCHEMBL21166245	178.109	MDJFBBDFFHPXRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004117
FC1(F)C(=C(OC)C1=O)OCC	PC-id_21731298	178.133	WJYNBLMHAHJRIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004118
CC1=CN(C1)CCN(C)/C=CC=C	PC-id_154966916	178.147	YSZZLFNMIWNUCI-WAYWQWQTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004119
CCC1=CC(=C1C(C)(C)C)C(C)C	PC-id_161155434	178.172	OWJVEDPIJKAEQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004120
O(C1=C(C(=O)C1=O)C#CCCC)C	PC-id_15129425	178.185	SMUFTDANMHHNEY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004121
O=C(C1=CCC1)OC(=O)C1=CCC1	PC-id_20316180,SCHEMBL11578150	178.185	BYDKJHLOZVKIME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004122
O(C(C)C)C1=C(C(=O)C1=O)C#CC	PC-id_85713982	178.185	BWOQZKWGXPGYTI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004123
S1(=O)(=O)CC(=C1)C(OC)OC	PC-id_86089704	178.206	MUBTYSPRWMRHRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004124
CCCC1=C(C(=O)C1=C=O)CCC	PC-id_134893233	178.228	XVWUZJHSZHITNT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004125
OC1(C(=C(C1=O)C=C)CCC=C)C	PC-id_10487558	178.228	FXEADSCAXDILCS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004126
O(C1C(=C(C1=O)C=C(C)C)C=C)C	PC-id_10535312	178.228	BPNMAHJJZMFHTM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004127
OC1(C(=C(C1=O)C=C)C)CC(=C)C	PC-id_10773669	178.228	LYSXSXQECVWMAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004128
CC([C@H](NC(=O)C1=CCC1)C#N)C	EMOLS-id_265331904	178.231	GMCIXOQFLVSMCP-SECBINFHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004129
CC([C@@H](NC(=O)C1=CCC1)C#N)C	EMOLS-id_265331910	178.231	GMCIXOQFLVSMCP-VIFPVBQESA-N	00001100000000000000000000000000000000000000000000000000	06-01-004130
CC(C(NC(=O)C1=CCC1)C#N)C	EMOLS-id_304190491	178.231	GMCIXOQFLVSMCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004131
CC(C#N)(NC(=O)C1=CCC1)CC	EMOLS-id_107238447	178.231	MSLUGTYYMCSMFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004132
CC1C(=CC1CC1C=C(C1C)N)N	PC-id_137475852,SCHEMBL20716888	178.274	JPLWNXFSIKZPSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004133
CN1CC=C1CCCCC1=CCN1	SCHEMBL20118860,PC-id_134480057	178.274	UVVJKICWODPZQK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004134
C1(CC(=C1CC)CCCCC=C)C	PC-id_54431005	178.314	WHMATTVTRBZHBD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004135
C1(=C(CC1)C)CCCCCCC=C	PC-id_57298421	178.314	RDIHQLHOPQBKKW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004136
C(C1=C(C(=C1)C)CCCC)(C)(C)C	PC-id_10990754	178.314	RFVSQLSSIPIJCT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004137
CCC1CC(C1)CC1CC(=C1)CC	PC-id_143706373	178.314	PUPUASPQVUDBJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004138
CCC(C)C1=C(C(=C1C)C)C(C)C	PC-id_91154734	178.314	VSHPJQMBIUQAGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004139
C(C(C)(C)C)(C1=CCC1)(C)C(=C)C	PC-id_13293887	178.314	HYKIBFBUIVZVHS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004140
CCCCC(C)C1(C#CC1CC)C	PC-id_91291871	178.314	DUSWUCMLYCWVSI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004141
CCC(C/C(=CC)/C1CC=C1)CC	PC-id_143708350	178.314	PVWSULSFWWZGKY-WUXMJOGZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004142
SC1=C(S)C(=S)C1=S	CoCoCo_5576430,PC-id_430965,SCHEMBL12432464,LI_180220	178.319	NQSDKMWFIFYZMX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004143
ClC1=C(F)C(F)(F)C1(F)F	PC-id_12524763,SCHEMBL2137807	178.488	OZTHTGSYTZIRML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004144
ClC1(F)C(F)(F)C(=C1F)F	PC-id_11469411	178.488	BDXXLJRFWWEZMH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004145
FC1=C(Br)C(=O)C1=O	PC-id_101985126	178.944	RHBGFCKUNQFJEQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004146
ClC(=O)C1=C(CC1)C(=O)Cl	PC-id_85829492	179.001	XRMBOOXABXFJFL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004147
CC1SC=C1CBr	PC-id_143717631	179.078	WMZSAKSATLOBKX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004148
CC1=C(C)[C@@]([C@]1(C)Cl)(C)Cl	CoCoCo_5453740	179.087	QJHFTVCGJZFLCW-HTQZYQBOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004149
CC1=C(C)[C@@]([C@@]1(C)Cl)(C)Cl	CoCoCo_5453741,PC-id_97102618,NSC125880	179.087	QJHFTVCGJZFLCW-OCAPTIKFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004150
CC1=C(C)[C@]([C@@]1(C)Cl)(C)Cl	CoCoCo_5453742,LI_139565	179.087	QJHFTVCGJZFLCW-YUMQZZPRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004151
CC1=C(C)C(C1(C)Cl)(C)Cl	SCHEMBL9720420,PC-id_277266	179.087	QJHFTVCGJZFLCW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004152
C1=C(C(=O)C1=O)NCC(F)(F)F	PC-id_91567026	179.097	HRAOSQUFNFSVOS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004153
COC(=O)C1=C(N=C1)C(F)(F)F	SCHEMBL15109464,PC-id_89689200	179.097	XKKQIUMETCDBAJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004154
CCCCC1CC(=C1OCC)C#N	PC-id_154269995	179.131	SMNXDQOHOMUOKW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004155
C(#N)C1C(=C(C1(C#N)C#N)C#N)C#N	PC-id_90722844	179.138	AMGYZOUHIRDEEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004156
N#CC1=CC(C1(C#N)C#N)(C#N)C#N	SCHEMBL3899150	179.138	UUPGAGOVFXPVPH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004157
CC[C@@H](C1=CN=C1C(F)(F)F)O	SCHEMBL20011101,PC-id_134381791	179.14	MOAQTYVITVFCKN-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004158
CC(=O)NC1(CC=C1)C(F)(F)F	SCHEMBL8295328,PC-id_88276053	179.14	FBXKZRHFEZGJMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004159
O=C(C1=CCC1)NCC(F)(F)F	EMOLS-id_265338482	179.14	JKDSRUCLKXANSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004160
CCC1(C=CC1(CC)N=CC)CC	PC-id_155197257	179.167	RIJAUCWJJFVRJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004161
CCCC(=C)CC1=CC(C1)N(C)C	PC-id_155243400	179.167	VEJPHAYEAHFPLD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004162
CNC1=C(C(=O)C1=O)NCCC#N	SCHEMBL19957297,PC-id_134334109	179.176	IVFROTRUBYMEIK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004163
C1CC(=C1)C(C(=O)C1CC1)NC=O	PC-id_91134836	179.216	WDTJIXVRFNBMBN-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004164
CC(C1=C(C(=O)C1=O)NC1CC1)C	SCHEMBL10306674,PC-id_58830352	179.216	VJOZLSOXIHEGEA-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-004165
CCCNC1=C(C(=O)C1=O)/C=C/C	PC-id_139430799,SCHEMBL21291514	179.216	LZTPTVPUUKFTQN-HWKANZROSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004166
CC1CC(N1C(=O)C1=CCC1)(C)C	EMOLS-id_114449014	179.259	VQPNCLNCCOSCSA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004167
CCC1(CCC1)NC(=O)C1=CCC1	EMOLS-id_265350847	179.259	JQNVHKLVCPXPJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004168
CC(C1CCC1)NC(=O)C1=CCC1	EMOLS-id_304194841	179.259	YQEOYSUATNKPHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004169
C[C@@H](C1CCC1)NC(=O)C1=CCC1	EMOLS-id_265349952	179.259	YQEOYSUATNKPHJ-QMMMGPOBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004170
C[C@H](C1CCC1)NC(=O)C1=CCC1	EMOLS-id_265350013	179.259	YQEOYSUATNKPHJ-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004171
CN(C1CC1(C)C)C(=O)C1=CCC1	EMOLS-id_265350368	179.259	SRSCUHNNDDHIKP-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004172
O=C(C1=CCC1)NC1CCC1(C)C	EMOLS-id_96756934	179.259	CWFFONBBFMYZQK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004173
O=C(C1=CCC1)NC(C1CC1)(C)C	EMOLS-id_265352501	179.259	VDCQMALZTSMPIK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004174
O=C(C1=CCC1)NCC1(C)CCC1	EMOLS-id_265351793	179.259	BORUCWIGFRENOK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004175
CCCC1(N)C=C(C1C/C=C/C)C	SCHEMBL19562169	179.302	YZWHVEZXXWYBLV-GQCTYLIASA-N	00001100000000000000000000000000000000000000000000000000	06-01-004176
CCN(C(C1CC=C1C=C)C)CC	PC-id_88865580,SCHEMBL11993783	179.302	KYMDRECIBJTSAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004177
N/C=C(/CCC1CC(=C1)C(C)C)C	PC-id_142070146	179.302	SKJYACNWTHAYHJ-CSKARUKUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004178
CCCCC1=CC(=C)C1([2H])CCCC	PC-id_101131812	179.32	RDPBIBJMQNEFHI-YSOHJTORSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004179
ClC1=NC(=C1C)S(=O)(=O)C	PC-id_69695118,SCHEMBL6185199	179.625	ZQGWIYNMTYIZLV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004180
C1CC(=C1S(=O)CCN)Cl	PC-id_91553199	179.668	WWGSXLNOBPZGLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004181
ClC1C(S(=O)CCN)C=C1	PC-id_58684502	179.668	DVAWFSMLHNAHBY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004182
C1C=CC1I	SCHEMBL12057013,PC-id_88850000	179.987	RGSWKOCTTQZOOT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004183
IC1=CCC1	PC-id_13384006,SCHEMBL7218513	179.987	VRKSEGYRHMRTAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004184
I[C@@H]1CC=C1	SCHEMBL11893228	179.987	RGSWKOCTTQZOOT-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004185
I[C@H]1CC=C1	SCHEMBL13632423	179.987	RGSWKOCTTQZOOT-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004186
C=CCCCNC1=C(C(=O)C1=O)N	PC-id_155281012	180.09	BRPFKTRKIGQBER-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004187
CCC1(C(=CC1=O)C=COC)CC	PC-id_154302953	180.115	ODPKHXFGEVPGGZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004188
CCOC(=O)C1=C(C(C1)(F)F)F	PC-id_121234307	180.124	PCBSZYSXJANLMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004189
CC
=CO/C1=C/N=C(C(C)(C)C)N	PC-id_155030478	180.126	LUOKSMNMWQYYKP-VMPITWQZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004190
CCC1=C(C(=C1C)F)CC(=C)CC	PC-id_155274626	180.131	FQYBTDQJUJISLN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004191
CC(C)(C)C1=C([C-]=N1)CCCCO	PC-id_153808530	180.139	YSMBFYQNDQJWSX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004192
O(C1=C(OCC#C)C(=O)C1=O)CC	PC-id_71393225	180.157	RTMKLWSWJIJHMS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004193
O=C1C(=C(N=C)C1=O)C(=O)NCC	PC-id_21663215	180.161	XWUHQEIRTVHRIG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004194
O=C(C1CC1)NC1=C(N)C(=O)C1=O	PC-id_142659064	180.161	BIQAVQZWFMWWLL-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-004195
CNC(CN)C1CC1CC1=CCC1	PC-id_163788648	180.163	MUTQODNACFHYJT-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004196
FC(F)(F)COC1=C(C(C1)C)C	PC-id_13485123	180.168	LXVYRFPLOSIWPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004197
FC(F)(F)COC1=C(CC1C)C	PC-id_13485124	180.168	ICKPRMOCYLLGIH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004198
FC(F)(F)C(O)C1=CCC1(C)C	PC-id_46844924	180.168	ZMQZEAUKXLUHGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004199
CCCCOC1=C(C(=O)C1=O)C=C	SCHEMBL15462727,PC-id_89960785	180.2	XRQUYKUXVDODOJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004200
CCOC1=C(C(=O)C1=O)CC(=C)C	PC-id_101639160	180.2	CFGYAPKXZYAMML-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004201
CCOC1=C(C(=O)C1=O)C(C=C)C	PC-id_101639161	180.2	MXDSAJOOJFMPML-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004202
CCOC1=C(C(=O)C1=O)C=C(C)C	PC-id_119095077	180.2	XROQOZYUKNPNAM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004203
CCOC(=C)CC1=C(C(=O)C1=O)C	PC-id_134977024	180.2	OTQIHXAQLMATQG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004204
C1(=C(CC1)CCCC)CCCCC	PC-id_12128368	180.33	CGPSMGZOWSRZCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004231
OC1(C(=C(C1=O)C=C)OC)CC=C	PC-id_10607455	180.2	MPGZLIMVULWURC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004205
O(C1=C(C(C)(C)C=C)C(=O)C1=O)C	PC-id_10397389	180.2	LEVZNSBALQKSGY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004206
O(C1(OC)C(=C(C1=O)C=C)C=C)C	PC-id_10442293	180.2	KUGVWKPRAAMKSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004207
CCC(C1CC(=O)N1)OC1=NC=C1	SCHEMBL10670570,PC-id_70416838	180.204	GKCFUNBHHGTRCK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004208
CCCC1C(=O)NC1OC1=NC=C1	PC-id_70432617,SCHEMBL10744073	180.204	ROOHTMVEFOJESW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004209
C/C=C(/CNC1=C(N)C(=O)C1=O)C	PC-id_143343968	180.204	JOBDXZAKWKCNQU-HWKANZROSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004210
CC(OC1=NC=C1)CC1CC(=O)N1	PC-id_57066784,SCHEMBL10670573	180.204	OTMBHOCELOGZMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004211
CNC1=C(C(=O)C1=O)NC1CCC1	SCHEMBL19956896,PC-id_134333723	180.204	XYGJFKDPQAUZOK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004212
CNC1=C(C(=O)C1=O)NCC1CC1	SCHEMBL18855523	180.204	WIAJJURQHGWAAH-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-004213
O=C1CC(N1)CCCOC1=NC=C1	SCHEMBL10670558,PC-id_21289823	180.204	NYDIDPYRBLXIBP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004214
O=C(C1CC1)NNC(=O)C1=CCC1	EMOLS-id_265361210	180.204	ZRMYLICSYZYJLW-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004215
O=C(C1=CCC1)NC1(CC1)C(=O)N	EMOLS-id_265361589	180.204	LSWYMPQTXLTYBK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004216
O=CNC1=C(C(=C)C1)CCC(=O)N	PC-id_144948366	180.204	QBOOURMGBJGKDH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004217
CCC(C1=C(C(=O)C1=O)C(C)C)C	SCHEMBL16261050,PC-id_117715609	180.244	KFTRSCDTXBTNMW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004218
COC(=O)C1CC(=C1)CCC(=C)C	EMOLS-id_337898522	180.244	NJNXGRNIZAFIFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004219
O(C1C(=C(C1=O)C)CCC(=C)C)C	PC-id_10511587	180.244	ZIYAILWNMSIDOB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004220
O(C1(C(=O)C(=C1)C(C)C)C(=C)C)C	PC-id_11819638	180.244	QZLYVQJIYZHZLC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004221
O=C(C1=C(CC1)C)CCCC(=O)C	PC-id_10352282	180.244	GXOABUDDMSNXHS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004222
O=C(N(CCC)CCC)C1=NC=C1	PC-id_56625343	180.247	CAGBVSZBAJRBJM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004223
FC/C=CC1C=C(C1=C)CC(C)C	SCHEMBL18563184	180.262	XGGWRBYBULDUCL-PLNGDYQASA-N	00001100000000000000000000000000000000000000000000000000	06-01-004224
CCCCCCCCCC1OC#C1	PC-id_141368056	180.287	SBCMCEPDHNJHOI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004225
CCC(CCC(=O)C1=CCC1)(C)C	SCHEMBL18737293	180.287	MZCBGYCXSGTHEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004226
[O-]C1=C(C[C+]1C(C)(C)C)C(C)(C)C	PC-id_101987934	180.287	HZWUXPLWFOWEEE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004227
CCN(C(C/C=C/1NC=C1C)C)C	PC-id_139541147	180.29	JZLZDJACEBBKOG-XFFZJAGNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004228
CCN(C(CC=C1NC=C1C)C)C	SCHEMBL21416688	180.29	JZLZDJACEBBKOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004229
CC(N(CCC(=N)C1CC=C1)C)C	SCHEMBL19289968	180.29	FPFXGLJMCTVFPK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004230
C1(=C(CC1C)C(C)(C)C)C(C)(C)C	PC-id_21718172	180.33	DVDDPHMZEOMCIX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004232
C1(C(=C(C1)C)C(C)(C)C)C(C)(C)C	PC-id_21719651	180.33	UTZVWJJXLKNXGX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004233
C(C1CC=C1)(CCCCCC)(C)C	PC-id_46919503	180.33	DUASNQHPSQDZNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004234
CCC1C=C(C1C)C(CC)C(C)C	PC-id_91547369	180.33	AQVDYWDHZZYRPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004235
CCC(C1C(C(=C1C)C)C)C(C)C	PC-id_91049905	180.33	OVKBJEWXDJIWRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004236
CCCCCC1=CC(C1(C)C)(C)C	PC-id_134980192	180.33	XCRYJBWWNIZFJK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004237
CCCCCC(CC1=C(CC1)C)C	PC-id_141844017	180.33	XHNKEAWJQTUSBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004238
C1(=C(C(=C1S)S)S)S	PC-id_89183416,SCHEMBL13834573	180.335	ZVRDDTBMHVLBJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004239
[Si](C1=C(CC1C)CC=C)(C)(C)C	PC-id_14141623	180.362	ZGRACTWTSUHGNJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004240
ClC1=C(OC)C(F)(F)/C/1=C/C	PC-id_24974774	180.58	DIXQNCMSNZOIRO-ONEGZZNKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004241
ClC1=C(OC)C(F)(F)C1=CC	PC-id_74377561	180.58	DIXQNCMSNZOIRO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004242
IN1CC=C1	PC-id_142743494	180.975	XWQJCGRISHCVCK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004243
ClC1(Cl)C(=CC1=O)CCO	PC-id_15324732	181.017	OPEHUUDKBVAWGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004244
ClC1(Cl)C(=CC1=O)OCC	PC-id_13256034	181.017	NZRAKYMWKJTLHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004245
C=CCCC1(CC=C1)CC[N+](=O)[O-]	PC-id_163961915	181.11	SIFZUFKAIYWKPD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004246
CC(C)(C)C1=C(C(=O)C1=O)N(C)C	PC-id_161642452	181.11	WYQABFLXJNGBDG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004247
CCCCCCOC(=O)C1=NC=C1	PC-id_154347080	181.11	MCRINCJQOSNKAC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004248
CC(C)(C)C1=NC=C1CCCCO	PC-id_153808531	181.147	OAIHDZHOJRAJTE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004249
CC(C)C1C=C(N1C(C)C)C(C)C	PC-id_162281649	181.183	OGJUCEUYIXIIQJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004250
CCCCCCC(C)(C)C1=NCC1	PC-id_163548605	181.183	FHDHRUOQJBNGJB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004251
CCCCC(=O)C1=C(N)C(=O)C1=O	PC-id_142659155	181.189	DRPGWSJJKJSDBW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004252
C=CCNC1=C(C(=O)C1=O)OCC	PC-id_10012544,SCHEMBL9207483	181.189	NCTHGNMZDQNCKX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004253
CCOC1=C(C(=O)C1=O)NC1CC1	PC-id_20950408,SCHEMBL14938566,MCULE-8346113847,CoCoCo_2509204,EMOLS-id_16293595	181.189	RPOIJTXFDZUIQH-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-004254
O(C1(C(=O)C(=C1)OCC)C#N)CC	PC-id_11030430	181.189	URGSSWMBDLOCGL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004255
CNC1=C(C(C1=O)O)NCCC#N	PC-id_134333834,SCHEMBL19957012	181.192	BEFATAZOYPJJDH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004256
CCC1=C(C(=O)C1=O)N(C(C)C)C	PC-id_57981977,SCHEMBL13604854	181.232	CPUXBAGXPNQFFY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004257
ClC1C(Cl)C(=C1Cl)Cl	PC-id_54396059	191.871	VKAJLXVINQTHIC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004640
CCC1=C(C(=O)C1=O)NC(C)(C)C	PC-id_88856893,SCHEMBL11936454	181.232	IQRLCMHCFSJMTN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004258
CCCCCC/C(=C/1C=NC1=O)/O	PC-id_136405505	181.232	MTGGSQNCYZMCSG-HJWRWDBZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004259
CCCCCCC(=C1C=NC1=O)O	PC-id_136648423	181.232	MTGGSQNCYZMCSG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004260
CCCCCCC(=O)C1=CNC1=O	PC-id_66882016,SCHEMBL1028512	181.232	PSJYVMJFWQDAAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004261
CCCCC(C)NC1=CC(=O)C1=O	PC-id_91175968	181.232	ZNNQLIYVJJVBER-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004262
CCCCCCNC1=CC(=O)C1=O	SCHEMBL3759458,PC-id_20158849	181.232	WWJRXKHKINNMTQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004263
CCCCCN(C)C1=CC(=O)C1=O	PC-id_91115756	181.232	NAPOFVAVNSMQHE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004264
CCC(C(=O)C(=O)N1CC=C1)(C)C	PC-id_141035094	181.232	YSLCJGSPLGWVHX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004265
CC([C@@H](NC1=C(C)C(=O)C1=O)C)C	PC-id_60089686,SCHEMBL12261905	181.232	BACRSOMDRWXZKB-ZETCQYMHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004266
CCCN(CCC)C1=CC(=O)C1=O	PC-id_91091993	181.232	RKSLJSXBWSZVHX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004267
CCNC1=C(C(=O)C1=O)C(C)(C)C	PC-id_58222478,SCHEMBL2632821	181.232	DMJXJGLYICEDJI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004268
CCN(C1=C(C(=O)C1=O)C(C)C)C	PC-id_58557785,SCHEMBL12036019	181.232	QTZXRIWDKXOIPI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004269
CCOC(=O)C1=CCC1C(=N)CC	PC-id_121480514,SCHEMBL17921502	181.232	BDXMFLVKKXLNRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004270
COC1CC(C1)NC(=O)C1=CCC1	EMOLS-id_304215312	181.232	UBQUEKBDTLFCPN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004271
CO[C@@H]1C[C@@H](C1)NC(=O)C1=CCC1	EMOLS-id_265390831	181.232	UBQUEKBDTLFCPN-DTORHVGOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004272
O=C1C(=C(C1=O)CCC(C)(C)C)N	PC-id_142659135	181.232	KFRJIJXTQOILMR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004273
O=C1C(=C(C1=O)C)NC(C(C)C)C	PC-id_72645385	181.232	BACRSOMDRWXZKB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004274
O=C1C(=CC1=O)NC(C(C)(C)C)C	PC-id_54097532	181.232	MYEIAVIBUUTKFG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004275
O=C(C1=CCC1)NCC1(C)COC1	EMOLS-id_265392653	181.232	PDVOBVHUFQBTSR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004276
O=C(C1=CCC1)NCC1(O)CCC1	EMOLS-id_194462959	181.232	XWPXSYFFTROEBS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004277
OC(=O)C1=NC(=C1CCC)CCC	PC-id_53841987	181.232	GJSZJCDCOSAUMO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004278
CC(C(C)(C)C)NC(=O)C1=CCC1	EMOLS-id_107408873	181.275	BDMQGXYMYDJFQO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004279
CC(C(NC(=O)C1=CCC1)(C)C)C	EMOLS-id_265407411	181.275	IOVXEAHURVWAPE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004280
OC1=C(C[C+]1C(C)(C)C)C(C)(C)C	PC-id_101987935	181.295	HZWUXPLWFOWEEE-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-004281
CC1CC=C1CCC(C)C(C)CN	PC-id_90774704	181.318	NZBLOZQSUJYHMX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004282
CCCCC(C1=CCC1)CCCN	SCHEMBL10336627,PC-id_88595493	181.318	KERYBXHBLYLREC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004283
CCCCCC1=C(CC1)CCCN	SCHEMBL10336628,PC-id_88595494	181.318	ABZAPSANKJMPFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004284
CC(N1CC(=C1C(C)C)C(C)C)C	PC-id_67522459,SCHEMBL2756174	181.318	UVBJPQLBWIJYAA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004285
C#CC1=CC(C1(F)F)(Cl)Cl	PC-id_154227913	181.95	SMOJPHJPBGTPBL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004286
C1C(C=C1Br)C(F)F	PC-id_154655407	181.954	AWQGGDJXXPGDRR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004287
IC1OC=C1	PC-id_142729426	181.96	MNYHXUHAJBNFOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004288
C1(C(C(=P1(F)F)F)(F)F)F	PC-id_154377069	181.972	UNOXQKLHOCBZBF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004289
CC1=[I]CC1	PC-id_88935455,SCHEMBL12580442	182.003	SHOJJNXCFAIUHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004290
C1(C(=C(P1(F)(F)F)F)F)F	PC-id_87941612	182.004	GIGKGZFVJWWVMX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004291
C/C=C
/C(=C(C1=S)C=C)SC	PC-id_153445573	182.022	FQPAKINGIUMHTF-FNORWQNLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004292
CC(OB(C1=CCC1)OC(C)C)C	PC-id_141481615	182.068	INICUKMBAZYTCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004293
C1=CC(=C1)NC(=O)COCC(=O)N	PC-id_164120480	182.069	YFAHRRZBCWEIGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004294
CC(=O)N=C1C=C(N1O)C(C)(C)C	PC-id_164099059	182.106	SGKYKWSEFHAOSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004295
CN(CCCCN)C1=CC(=O)C1=O	PC-id_153333337	182.106	SMVYSQRZBADAJE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004296
CN(C)CCCNC1=CC(=O)C1=O	PC-id_153930344	182.106	GZJATEZNLQCXOO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004297
CNCCCCNC1=CC(=O)C1=O	PC-id_155278226	182.106	NHFCHYMJNMFQAE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004298
FC1(F)C(F)(F)C=C1OCC=C	PC-id_85927186	182.116	MLVZCHQNUWRSSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004299
FC(F)(F)C1CC(=C1C(=O)F)C	PC-id_57357839	182.116	MMZBORUROZFWME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004300
CC(=C)C(=O)C[N+](C)(C)C1C=CO1	PC-id_151103283	182.118	MOOICAPQQVMENI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004301
S(C1=C(F)C(=O)C1(F)F)CC	PC-id_12633353	182.164	MLKSHYZLBRXLOL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004302
CC1=C(C(=C1C)C(=O)OC)C(=O)O	PC-id_89222239,SCHEMBL14000244	182.173	RLJQJQDQDLBNBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004303
C=COC(=O)CC1=C(CC1)C(=O)O	PC-id_87733212,SCHEMBL4821786	182.173	UOZSBCNHXITNCW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004304
COC(=O)C1=C(CC1)C(=O)OC=C	SCHEMBL3689583	182.173	OWEXILIIEFDOEG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004305
O(C1=C(C(C)(C)C=O)C(=O)C1=O)C	PC-id_10419813	182.173	ZRXICSLFAJDYFF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004306
O(C1=C(OC)C(=O)C1(O)C#CC)C	PC-id_10749929	182.173	LHXPDSJTXXKULA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004307
O(C1=C(OC)C(=O)[C@]1(O)C#CC)C	PC-id_76764183	182.173	LHXPDSJTXXKULA-SECBINFHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004308
O(C(=O)C1=C(CC1)C(=O)O)CC=C	SCHEMBL436695,PC-id_57245243	182.173	HRCDPMQWIZKMED-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004309
OC(=O)C=CCC(=O)OC1=CCC1	SCHEMBL80065,PC-id_54201880	182.173	PPVCNYCRVKABMH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004310
CCNC1=C(C(=O)C1=O)NC(=O)C	SCHEMBL19302720	182.177	FQTJRRLAMZPHKQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004311
O=C1C(=CC1=O)N(N(C)C)C(=O)C	PC-id_86180356	182.177	XOOZZPFYWMQNHU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004312
O=C1C(=C(NC(=O)C)C1=O)N(C)C	PC-id_86180347	182.177	SVFVLOZULZFYGF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004313
N#CC(C1CC(=C1)C#N)C(C#N)C#N	PC-id_85878445	182.181	HBCIRILHNWXTJJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004314
CCCCCCC1=C(O)C(=O)C1=O	PC-id_12466080,SCHEMBL8642334	182.216	GBIRJKFEZKLFHG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004315
CCCCOC1=C(C(=O)C1=O)CC	PC-id_12555054,SCHEMBL9555276	182.216	ARDJWJOGCUTPJN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004316
CC(OC1=C(C(=O)C1=O)C(C)C)C	PC-id_10464948,SCHEMBL16803983	182.216	FBLBQHVIARGWAP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004317
CCOC1=C(C(=O)C1=O)C(C)(C)C	SCHEMBL8283932,PC-id_57981942	182.216	LVUARLFVDGATFW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004318
COC1=C(C(=O)C1=O)CCC(C)C	PC-id_101036810	182.216	OIOWSLZYOKAXBN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004319
O(C1=C(CCCC)C(=O)C1=O)CC	PC-id_10261751	182.216	ANCPAAFBWTZQOR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004320
O=C(C1=CCC1)OC(=O)C(C)(C)C	PC-id_102149691	182.216	NQBOIHZUPMRPCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004321
O(C(C)(C)C)C1=C(CC)C(=O)C1=O	PC-id_10921150	182.216	AXXVAJYNCKRMAO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004322
CCCCCNC1=C(C(=O)C1=O)N	PC-id_87923561,SCHEMBL5996030	182.22	IIUQUIBALHQDST-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004323
CC(C)C(C)NC1=C(C(=O)C1=O)N	SCHEMBL3723753,PC-id_87564639	182.22	OUUWGHXZQXJZOP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004324
CCCCNC1=C(C(=O)C1=O)NC	SCHEMBL18665161	182.22	LGOZGBRHTCTYSE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004325
CC(C)CNC1=C(C(=O)C1=O)NC	SCHEMBL19956902,PC-id_134333729	182.22	RYZBJMKHURMCSI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004326
CC(CCNC1=C(N)C(=O)C1=O)C	PC-id_142659009	182.22	UGQNRXMEKOCSBE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004327
CCCCN(C1=C(N)C(=O)C1=O)C	SCHEMBL21230993,PC-id_139376771	182.22	VKYZAIUKZUSNPC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004328
CC([C@@H](NC1=C(N)C(=O)C1=O)C)C	SCHEMBL3723752	182.22	OUUWGHXZQXJZOP-YFKPBYRVSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004329
CCCN1C=CC1OC1CNC1=O	SCHEMBL10737769,PC-id_20193431	182.22	GGMRFECEOGFMTG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004330
CCC(NC1=C(N)C(=O)C1=O)(C)C	PC-id_140997521	182.22	HOKCFQSKCTZMTQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004331
CCCN(C1=C(N)C(=O)C1=O)CC	SCHEMBL8256448,PC-id_88270911	182.22	QGGCPMFMCUIPPU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004332
CC(C(=O)NC)NC(=O)C1=CCC1	EMOLS-id_304153120	182.22	AMDIESAMAZEOPN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004333
CC(C(=O)NNC(=O)C1=CCC1)C	EMOLS-id_265423245	182.22	WDQKDENLAFWSKC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004334
Cl[C@@H]1[C@@H](Cl)C(=C1Cl)Cl	PC-id_54396058	191.871	VKAJLXVINQTHIC-JCYAYHJZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004641
C[C@H](C(=O)NC)NC(=O)C1=CCC1	EMOLS-id_265421265	182.22	AMDIESAMAZEOPN-ZCFIWIBFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004335
CNC1=C(C(=O)C1=O)NC(C)(C)C	PC-id_21338878,SCHEMBL16683780	182.22	ZGMPSVPPGVZGOQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004336
CNCCCNC1=C(C)C(=O)C1=O	PC-id_139376659,SCHEMBL21230868	182.22	JKKRAXAGFXLJDJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004337
CNCCN(C1=C(C)C(=O)C1=O)C	SCHEMBL21230842,PC-id_139376633	182.22	CPTPHESUHQDKDX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004338
CN(CCNC1=C(C)C(=O)C1=O)C	SCHEMBL21230851,PC-id_139376642	182.22	NQANCWUOUWEENO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004339
NCCCCNC1=C(C)C(=O)C1=O	PC-id_139376656,SCHEMBL21230865	182.22	WGBPLEDHMAWCFA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004340
NCCCN(C1=C(C)C(=O)C1=O)C	SCHEMBL21230860,PC-id_139376651	182.22	FEFXVEYQACBPBZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004341
O=C1N(C(CC(=O)NCC)C)C=C1	PC-id_59676362	182.22	UURQCSKYESZTTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004342
O=C(C1=CCC1)NC(C(=O)N)(C)C	EMOLS-id_265423293	182.22	LLDDRJDKTXPENZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004343
CNC1(C=[P+](C1=C)C)CCC=C	PC-id_135216073	182.222	JJXDXEJDEVXZNK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004344
CC(C)C(C(C1(C#C[N+]1=C)C)O)O	PC-id_90709954	182.24	BDCMZUGBAPXWKL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004345
CCCSC1=C(C(=O)C1=O)C=C	SCHEMBL19166890	182.24	IXRGTXOGHXNVEJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004346
CCCCC=C1CP(=C1CC)=C	SCHEMBL19622176	182.242	SHVURDVEDGJHHG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004347
CCC(CC1CC(=C1)C(=O)O)CC	SCHEMBL14244032,PC-id_86675048	182.259	QOZHUDVCGZIXOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004348
CCCCCCC1=CC(C1)C(=O)O	PC-id_102193206	182.259	IQFLRGLBVGAUIF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004349
CCCCCCC1=C(CC1)C(=O)O	SCHEMBL10434853,PC-id_21612116	182.259	XPVMNBKTYZFJIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004350
CCCCCCOC(=O)C1=CCC1	PC-id_54551209,SCHEMBL5073738	182.259	ZKAOLLVOYOFDRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004351
CCC(C[C@H]1CC(=C1)C(=O)O)CC	PC-id_118422918,SCHEMBL17146838	182.259	QOZHUDVCGZIXOV-SECBINFHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004352
CCCCOC1=C(C)C(=O)C1(C)C	SCHEMBL2977845,PC-id_21919609	182.259	XXXQQEWMXDOIBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004353
COCCCCC(=C)CC1=COC1	SCHEMBL14191162,PC-id_89269511	182.259	BHCSZPROFVCQQD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004354
O(O)C1(CC(=C1)CCCC)C(=C)C	PC-id_10058169	182.259	LDNZZTOHZSQRAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004355
O(O)C1C(=CC1=C(C)C)CCCC	PC-id_10442345	182.259	WNXLVBHIIJWLHT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004356
C1CC(=C1)C1(CC=C1C1=CC1)C1=CC1	PC-id_140975976	182.261	SXGIOQLHNPVHQC-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-004357
CC(C1CC=C1)CNNC1CC1O	SCHEMBL19881612,PC-id_134268204	182.263	DLNBPTDGDBJCSK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004358
CN(CCCNC(=O)C1=CCC1)C	PC-id_53704866,SCHEMBL9250163	182.263	BWLLZWIZRHIQDY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004359
CN(C)C1=C(C(=[N+](C)C)C1=C)[S-]	PC-id_134888311	182.286	QCBPTIZVAKTQLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004360
CCCCC(C1=CCC1)CCCO	PC-id_88595288,SCHEMBL10335960	182.302	GVAHEFAXFRVZSJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004361
CCCCCC1=C(CC1)CCCO	SCHEMBL10335961,PC-id_88595289	182.302	BFUXUNFGTMWLKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004362
CCCCCCC1=C(C(C1)(C)C)O	PC-id_140445428	182.302	XFZXPQAXRSCGIB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004363
CC(CCCCCCC1=CCC1)O	PC-id_121006777	182.302	NLZCCIGNTAZJHI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004364
CNCCCCCNC1=C(CC1)C	PC-id_143202839	182.306	CQOBHLVHLYBCAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004365
C=C1C(=C(C1=S)[Si](C)(C)C)C	PC-id_102254236	182.358	OAFFKVAOFHIZIX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004366
[Si](C1=C(CC1)CCCC)(C)(C)C	PC-id_10535451	182.378	IVGPQZLAEMASFK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004367
CCOC1=C(Cl)C(=O)C1(F)F	PC-id_87701304,SCHEMBL4619279	182.553	JTMBMXADOFCRDA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004368
ClC1=C(CC1)C(=C(C)C)C(=C)C	PC-id_15709857	182.69	KKWGSVSHLQKCBT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004369
C1(=C(C(=O)C1=O)OCl)OCl	PC-id_87581295,SCHEMBL3825560	182.946	MQGRXAZUCNDTJB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004370
BrC1=CCS1(=O)=O	PC-id_13168975	183.024	HNVJCVPKQDZJSH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004371
BrC1=CS(=O)(=O)C1	PC-id_302543,NSC187747,CoCoCo_5524442,LI_161749	183.024	DGKDTVLDEZGLRI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004372
CCCCCNC1=C(C(=O)C1=O)O	PC-id_153551529	183.09	TVIHTHPSFHJYGW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004373
CCC(CC[N+](=O)[O-])CC1C#CO1	PC-id_163613151	183.09	HHRKRFMGWRNATH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004374
CN(C)CCNC(=O)[C@H]1CC(=C1)N	PC-id_163726452	183.137	KVZQYBFJPIJUIT-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004375
C1=CN=C1CC(CC(=O)O)C(=O)O	PC-id_89252122,SCHEMBL14122583	183.161	UDDUSXRPRLGLPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004376
CC(C(C1=NC=C1)C(=O)O)C(=O)O	PC-id_89252121,SCHEMBL14122581	183.161	BLIJFGVUXDVMIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004377
CCNC1=C(C(=O)C1=O)OC(=O)C	SCHEMBL19302718	183.161	GDIODMIIFBTQCT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004378
CCOC1=C(C(=O)C1=O)NC(=O)C	SCHEMBL19302733	183.161	BCJWKPACVXQVES-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004379
CCOC(=O)CC1=C(N)C(=O)C1=O	PC-id_142659124	183.161	QALTXFREWWELOR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004380
CCC(CN)O[C@@]1(CC=C1C)CC	PC-id_163564227	183.162	FTUYRIUWIWOBIT-RRKGBCIJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004381
O(C1=C(OC)C(=O)C1(O)C#C[13CH3])C	PC-id_10797531	183.166	LHXPDSJTXXKULA-OUBTZVSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004382
C1(=C(C(=O)C1=O)O)NC(C)(C)CC	MCULE-2530052671,PC-id_20950467,EMOLS-id_16293719,CoCoCo_2509261	183.204	MIHYQSIBFQEETC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004383
CC(C)C1=C(C(=N1)C(=O)O)CCO	PC-id_90859519	183.204	ITLLXXYHQPGAQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004384
CC(C[C@@H](C1=C(O)C(=O)C1=O)N)C	PC-id_102244081	183.204	HRZRACDMJWXWHO-YFKPBYRVSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004385
CCCNC1=C(C(=O)C1=O)OCC	SCHEMBL14546802,PC-id_2826605	183.204	JLNMDQHDYPAQDS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004386
CC(CN(C1=C(O)C(=O)C1=O)C)C	PC-id_118244974,SCHEMBL16921945	183.204	JBNZCKZXQOBAPJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004387
CC(C(=O)OC)NC(=O)C1=CCC1	PC-id_74319549,SCHEMBL11912025	183.204	LBOSDHUMECSXGG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004388
C[C@@H](C(=O)OC)NC(=O)C1=CCC1	PC-id_24802882,SCHEMBL11910894	183.204	LBOSDHUMECSXGG-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-004389
COC1=C(C(=O)C1=O)NC(C)(C)C	PC-id_58798614,SCHEMBL14586289	183.204	QQMGWBNFSKDUBH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004390
OC1=C(C(N)CC(C)C)C(=O)C1=O	PC-id_86025530	183.204	HRZRACDMJWXWHO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004391
OC1=C(C(N)C(CC)C)C(=O)C1=O	PC-id_86025531	183.204	TZVNDQIHAKZSAO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004392
O(C1=C(N(CC)CC)C(=O)C1=O)C	PC-id_12121644	183.204	ZSMSKRCRNATEPH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004393
O(C1=C(N(C)C)C(=O)C1=O)C(C)C	PC-id_85672717	183.204	MMAZOMGUSCPMAO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004394
O(CCCC)C1=C(NC)C(=O)C1=O	PC-id_86187204	183.204	OKFDULYXCNQFRP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004395
O(CCCCC)C1=C(N)C(=O)C1=O	PC-id_71342450	183.204	MVSRDRZSXKVQLY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004396
O(CCCCO)C(=O)CC1=NC=C1	PC-id_70504168	183.204	FMCAZSMZZBCXLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004397
CN(CCNC1=C(N)C(=O)C1=O)C	PC-id_138569404,SCHEMBL20927287	183.208	NIYCZKJNPFXLST-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004398
O(C(C)(C)C)C1=C([13CH2]C)C(=O)C1=O	PC-id_10081063	183.209	AXXVAJYNCKRMAO-HOSYLAQJSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004399
O=C(C1=CCC1)NCC1(F)CCC1	EMOLS-id_265456211	183.223	GVXGTNWUAIKLFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004400
CNC1(CCC=C)C=P(C1=C)C	SCHEMBL20371853	183.23	QCWAIMRRIFSDPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004401
CC(NC1=CC(=O)C1O)CCCC	PC-id_142810275	183.247	OAQXCUNYCTWUGH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004402
O(C1=CCC1)C(=O)CN(CC)CC	PC-id_53739864	183.247	CTULCMCUXCFCFV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004403
OC1C=C(C1O)NC(C1CC1)(C)C	PC-id_141190067	183.247	GWLCAKLGJCESAL-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004404
CCCCCC1C=CC1ONCC	PC-id_91127258	183.291	XZYOICPGMCAUPS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004405
CCOC1=C([C@H]([C@H]1C)C)CN(C)C	PC-id_101202702	183.291	BBWBNDYBFJMRBS-DTWKUNHWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004406
CCOC1=C([C@@H]([C@@H]1C)C)CN(C)C	PC-id_101202703	183.291	BBWBNDYBFJMRBS-BDAKNGLRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004407
O(C1=NCC1(CCC)CCC)CC	PC-id_21816544	183.291	LSJWWYRHCWEZKB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004408
[O-][N+]1=CC(C1)(CCCC)CCCC	PC-id_13917894	183.291	CMOZXIOBFAPVKA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004409
CN(C)C1=C(C(=[N+](C)C)C1=C)S	PC-id_134888312	183.294	QCBPTIZVAKTQLY-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-004410
C1(=C(OC1C)CCCCCCCC)[2H]	PC-id_135012881	183.309	YTKUVEZOFOQRBZ-MMIHMFRQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004411
ClC1(C(=C(C1=O)CC)CC)C#N	PC-id_13522306	183.635	HZFIZGFUQFFPSA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004412
COC(=O)C1=CC(C1(F)F)(F)F	PC-id_154176405	184.015	SBESZLUUOIHKHP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004413
C1=C(C(=S)C1=O)NCCCCN	PC-id_153333280	184.067	MVATUONMTXWOMV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004414
CC1=C(C(=O)C1=S)NCCNC	PC-id_155281142	184.067	XRDOFWRLASRAHH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004415
CC1=C(C(=S)C1=O)NCCNC	PC-id_155281319	184.067	PNCBELRZNWLZOP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004416
CCCN(C)C1=C(C(=O)C1=S)N	PC-id_155281363	184.067	WFQZNGWSYAIKGX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004417
CNCCN(C)C1=CC(=S)C1=O	PC-id_153551331	184.067	MCFXLYFJHJXXBM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004418
CC1=C(C(C1)C(=O)OC)C(=O)OC	PC-id_154270453,EMOLS-id_337898270	184.074	FBAZSNDPCWNEDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004419
CN(CCN)C1=C(C(=O)C1=O)OC	PC-id_163621405	184.085	HOKPDJRSRNHDDH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004420
CC(=O)OC1=CC(C1(F)F)(F)F	SCHEMBL3973094	184.088	LQIIORLMJUZEAI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004421
CC1=C(C(=S)C1)NCCN(C)C	PC-id_155278241	184.103	QJQPFNAQADOMFN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004422
F/C=C(/[C@]1(C)C(F)C(=C1F)F)F	PC-id_118228768,SCHEMBL16901568	184.107	NLXXSDUDCZQOKW-FDWBNABFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004423
CC1=C(C(=O)C1O)NCCN(C)C	PC-id_155281054	184.121	KCUFPLBSDLBEFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004424
CC(C)(C)OC(=O)N1CC(=C1)CN	PC-id_160555672	184.121	QYQOIGVTIHFJHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004425
C1C(=CC1(C(=O)O)C(=O)O)CC=O	PC-id_91594451	184.146	FXIDKCHRHSQHRB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004426
CC1OC(=C1)C(=O)OOC(=O)C=C	PC-id_142226219	184.146	TYMRLVPSECQDMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004427
NC1=C(NCCC(=O)O)C(=O)C1=O	CHEMBL1207193,PC-id_9964271,SCHEMBL2152380	184.149	KZRPOKATSDHKMF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004428
O=C1C(=C(NC)C1=O)NCC(=O)O	PC-id_20712491	184.149	WGFJWZNHNVWCMX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004429
O(C1=C(OC)C(=O)C1(O)[13C]#[13C]C)C	PC-id_10607531	184.159	LHXPDSJTXXKULA-MQIHXRCWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004430
C1C(=C[C@@H]1C(=O)OC)C(=O)OCC	PC-id_135075371	184.189	HGXLEWBCGXJFBX-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-004431
CC(C1CC(=C1C(=O)O)C(=O)O)C	SCHEMBL8815301,PC-id_88368942	184.189	UFNAGJLSWVLOAA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004432
CCC1=C(OC1)C(C=CC(=O)O)O	PC-id_91052380	184.189	LTGAIUMITGSACO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004433
CCCCCOC1=C(O)C(=O)C1=O	PC-id_20278306,SCHEMBL2550628	184.189	DGBOMCZEQSLUSI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004434
CCCOC(=O)C1=C(CC1)C(=O)O	PC-id_87864657,SCHEMBL5607518	184.189	DNPMDTWSEKTDHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004435
CCOC(=O)C1=CCC1C(=O)OC	EMOLS-id_337901844	184.189	UKBRGROUSPJQIX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004436
CCOC(=O)C1=CC(C1)C(=O)OC	EMOLS-id_337902100	184.189	HGXLEWBCGXJFBX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004437
COC1=C(C(=O)C1=O)OC(C)(C)C	PC-id_10559380,SCHEMBL7780750	184.189	HAJCPXSAUATNER-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004438
COC(=O)C1=C(C(C)C1)C(=O)OC	EMOLS-id_337896985	184.189	SHAJVLMZVZUCIS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004439
COC(=O)C1C=C(C)C1C(=O)OC	EMOLS-id_337902365	184.189	JNFWDCNYGCNIMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004440
OC1(C(=C(OC)C1=O)OC)C(=C)C	PC-id_14112422	184.189	FEIYYNVYWMMLGC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004441
O(C1(OC)C(=C(C1=O)C=C)OC)C	PC-id_10012607	184.189	ROOFDPDCAZLWRM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004442
O(CCCC)C1=C(OC)C(=O)C1=O	PC-id_86053440	184.189	CUMNCXDFJXMDSH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004443
OC(=O)C1=C(CC1CCC)C(=O)O	PC-id_10986957	184.189	JHWLJXGLCBKDOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004444
C1(=C(C(=O)C1=O)OCC)NN(C)C	ZINC22_2555845,PC-id_2781291,MCULE-5434822073,EMOLS-id_927566	184.192	HYJWXTVSRMZZFV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004445
CC(C)CN(C1=C(C(=O)C1=O)O)N	SCHEMBL15597776,PC-id_90063532	184.192	NJIPPBQZIKYXNO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004446
CC(CO)NC1=C(C(=O)C1=O)NC	SCHEMBL19956914,PC-id_134333739	184.192	RPFCEBVDGXNFNX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004447
CC(CONC1=C(N)C(=O)C1=O)C	PC-id_142648885	184.192	FDDJERVAHPJZDB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004448
CCNC1=C(C(=O)C1=O)NCCO	SCHEMBL15087777,PC-id_89672101	184.192	RAIUESOQKYKPIK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004449
CN(CCNC1=C(O)C(=O)C1=O)C	CT-id_4508338,PC-id_139146663,CT-id_4508337	184.192	KFHVMJPVSCVJTL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004450
CNCCN(C1=C(O)C(=O)C1=O)C	PC-id_118245066,SCHEMBL16922048	184.192	CYVXSPSCJXQKHY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004451
NCCCN(C1=C(O)C(=O)C1=O)C	SCHEMBL16921990,PC-id_118245010	184.192	SFTSURUOZIDGNL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004452
O=C1C(=C(NO)C1=O)NCC(C)C	PC-id_11506571	184.192	VYBFUYPQRSOFEZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004453
OCC(NC1=C(N)C(=O)C1=O)(C)C	PC-id_140997527	184.192	FVJGUWYJKJIUFU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004454
NCC(NC1=C(N)C(=O)C1=O)CN	PC-id_141110041	184.196	NMBABNUZVNECOG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004455
FC1=CC(C1)(CCC(=O)O)CC=C	PC-id_20760662	184.207	KBEMAJODHQANID-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004456
CCCC1CC(=C1C(=O)OC)CO	EMOLS-id_337903382	184.232	CQMBHVHTWDQISW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004457
CCCCCOCCC1=CC(=O)O1	SCHEMBL8989736,PC-id_67743750	184.232	RVLDYLOWKRZIEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004458
CCO[C@@H]1[C@H](C)C(=C1C(=O)OC)C	PC-id_10655088,EMOLS-id_337900055	184.232	JQRFQNCJLRJZAO-VXNVDRBHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004459
CCOC(=O)CC1(CC=C1)OCC	SCHEMBL8144348,PC-id_88254456	184.232	UCCCMZZZAGXVGI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004460
O(C1C(C(=C1C(=O)OC)C)C)CC	PC-id_85221656	184.232	JQRFQNCJLRJZAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004461
O(C1=CC(=O)C1(OC)C)C(C)(C)C	PC-id_10330027	184.232	ZYFISRMGNYCTIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004462
O(C1(OC)C(=CC1=O)CCCC)C	PC-id_10442384	184.232	PUYVRHLYFUIEGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004463
O(C1(OC)C(=C(C1=O)C)CCC)C	PC-id_10442388	184.232	FQGSSDBXQUGLAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004464
O(C1(OCC)C(=C(C1=O)C)C)CC	PC-id_10607539	184.232	STRBLHPZCASWOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004465
CC(C1(CC=C1OCCO)C=N)N	SCHEMBL18266536	184.236	WZSLLMIYBDBLEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004466
CC(C)(C)OC(=O)NNC1=CCC1	PC-id_91083147	184.236	VUGVBGWXYGGMMK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004467
CNC1=C(C(=O)C1O)NCC(C)C	SCHEMBL20927290,PC-id_138569407	184.236	RVOMXRCGMHWARW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004468
O(C(C)(C)C)C(=O)N1CC(=C1)NC	PC-id_71431039	184.236	OBWWBVLTPPILED-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004469
CC1(CC=C1)S/C(=CC)/C(=O)O	SCHEMBL2666512	184.255	RIRXIIJNKXLMIC-CLTKARDFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004470
CC=C(C(=O)O)SC1(CC=C1)C	PC-id_87419533	184.255	RIRXIIJNKXLMIC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004471
CCP1C=C(C1(CC)CC)CC	PC-id_142779913	184.258	RYMZHAISNFAEMF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004472
NCCN(C1=C(C)C(=S)C1=O)C	PC-id_139377006,SCHEMBL21231260	184.259	ICSVECTWSWYTTO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004473
S=C1C(=C(N(C)C)C1=O)N(C)C	PC-id_12452760	184.259	IIBYQHBGOLJFJT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004474
CCCCC1=CC(C1)(O)C(O)(C)C	PC-id_101166246	184.275	KJTHBTKMJPCGPN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004475
CCCCC1=C(O)OC1C(C)(C)C	PC-id_102122150	184.275	UCSNYIBLTFEBFB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004476
COCC1=C(CC1(C)OC)C(C)C	PC-id_100957877	184.275	DGGBZPIQCQQUTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004477
O(CC1CC(=C1C)C)CCOCC	PC-id_53697202	184.275	BRKCCIOQFMEMPJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004478
C/C=CC1=C(/C(=C/C=C)/C/1=CC)C=C	PC-id_143139476	184.277	YGOZJSSSOFPWCE-IUGQJKNMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004479
[Si](OC1=CCC1)(C(C)(C)C)(C)C	PC-id_85736036	184.351	BMXCXVABXAREJM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004480
ClC1=C(C(C)(C)C=C)C(=O)C1=O	PC-id_10103875	184.62	HOWGSMYAMOPLMS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004481
CO[C@@H](CC1C=CN1)/C=N/NOC	PC-id_155061170	185.116	WOKIVEZWXZGPFF-CFBBFBPXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004482
CC[N+]1(CC=C1)CC[S-](#C)CC	PC-id_164133386	185.124	JVSWLWFZJRBJAI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004483
OC1=C(C[C@H](N)C(=O)O)C(=O)C1=O	PC-id_10702664,SCHEMBL7857438	185.134	RTGLOAJDIKEHRK-VKHMYHEASA-N	00000100000000000000000000000000000000000000000000000000	06-01-004484
OC1=C(CC(N)C(=O)O)C(=O)C1=O	PC-id_9877552	185.134	RTGLOAJDIKEHRK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004485
OC1=C(C(N)CC(=O)O)C(=O)C1=O	PC-id_11608046	185.134	ANJNMQGSKUFUFN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004486
[O-][P+]1=C(CC1C)CNC(=O)C=C	PC-id_141236878	185.16	OTLGOEARCKQYTC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004487
C1(=O)C(=C(OCC)C1=O)NCCO	MCULE-8191698254,PC-id_14872872,ZINC22_34402399,EMOLS-id_271419668	185.177	JFTIEIGFTZYKMW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004488
CC(C)(C)OOC1=CN=C1C(=O)O	PC-id_88756949,SCHEMBL11295169	185.177	ONSIYUSSDMOJOE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004489
CN(C)CC(=O)OC(=O)C1=CCO1	PC-id_91885302	185.177	KPVIMOOBYOPWAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004490
COC1=C(C(=O)C1=O)N(C(C)C)O	CT-id_4022565,PC-id_11286875,4022565_OpenMolecule	185.177	WPFKUWQPERYILZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004491
COCCN(C1=C(O)C(=O)C1=O)C	PC-id_118244876,SCHEMBL16921836	185.177	WRZDJCGRAQYTHQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004492
C(CN)CN(C1=C(C(=O)C1=O)O)N	PC-id_90063599,SCHEMBL15597843	185.181	KCWOFDMUPUMZLC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004493
CNCCN(C1=C(C(=O)C1=O)O)N	SCHEMBL15598044,PC-id_90063790	185.181	QFXJRMQUFKLXCW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004494
O(C1=C(OC)C(=O)C1(O)C#CC([2H])([2H])[2H])C	PC-id_10750012	185.192	LHXPDSJTXXKULA-FIBGUPNXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004495
CC(C(F)(C)C)NC1=CC(=O)C1=O	PC-id_140997528	185.195	FBXPABKFEDAQGO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004496
S(C1=C(NC(=O)C)C(=O)C1=O)C	PC-id_14917989	185.2	ZGMGNPMBXULDIQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004497
O(C1(OC)C(=CC1=O)NC(C)C)C	PC-id_11389809	185.22	QIIJFMZWPVLFHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004498
C=CC(=O)OCCNC1SC=C1	PC-id_139699656	185.243	WDIMABCWHNSKHI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004499
CCN(C1=C(S)C(=O)C1=O)CC	PC-id_139636153	185.243	VXQJEAARSYVCJA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004500
CCSC1=C(C(=O)C1=O)N(C)C	PC-id_134993556	185.243	MIIRFZQZAQDQTC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004501
ON=C(C1SC=C1)C1SC=C1	PC-id_139927675	185.267	MVHQFSAZZBXCJT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004502
C[C@@H]([C@H]1C(N)C=C1F)[C@H](C(C)C)C	SCHEMBL18386403	185.282	ZGUDHYBYLTZDLE-KWMOECRTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004503
CCN(C1=CC(=S)C1=S)CC	SCHEMBL20500809,PC-id_135329701	185.31	NWEFFLUSWNOSBH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004504
[Si](OC1=NCC1)(C(C)(C)C)(C)C	PC-id_54223594	185.339	QEHUYIMFAJPLHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004505
CC1=C(C([S+]1C)(C)C)C(C)(C)C	PC-id_134934258	185.349	JETXTJGEOGRLMI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004506
[S+]1(C(C(=C1C(C)(C)C)C)(C)C)C	PC-id_85690289	185.349	FMKOFGJFXHJFRV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004507
CCCC1=CCC1/C=CN(Cl)C	SCHEMBL18576312	185.694	ZPTLPSFTWAJWFS-FPLPWBNLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004508
C1C(=C(C1(F)F)Cl)C(=O)Cl	PC-id_163866142	185.945	PGUIHWHJWNGNDS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004509
C=CCCC1CC(=C1)Br	PC-id_163553736	186.004	FLGPYHAJTGYBSY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004510
CCOC1(C(=CC1(F)F)Cl)F	PC-id_154206927	186.006	NLIQRAQVJCEDOQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004511
CC1C(=C(S1)C=C)C(C)[C@H](C)F	PC-id_155152714	186.088	MACKCPPVMLHBFJ-WTIBDHCWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004512
COC1=C(OC)C(F)(F)C1(F)F	PC-id_21731276,MCULE-3047301966,ZINC22_16082663,SCHEMBL11743073	186.104	PJEGONMRIIERFA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004513
CN(C)CCOC1CC=C1NOC	PC-id_147315626	186.137	CYURKVNDBRMTCG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004514
COCCN(C1=C(C(=O)C1=O)O)N	SCHEMBL15597823,PC-id_90063579	186.165	ABMHYBOURKQDTO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004515
OC(=O)/C=CC(=O)OC1SC=C1	PC-id_139695870	186.185	BRFPFZKOOJBYIW-UPHRSURJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004516
O(C1(OC)C(C=C1C(=O)OC)C)C	PC-id_15933020	186.205	FPNJKRXEUJNBCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004517
O(C1(OC)C(O)C(=C1OC)C=C)C	PC-id_10419910	186.205	IIESAFQSUPMROA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004518
CC(=CC1=CC=C1)C(=O)OC1=CC=C1	SCHEMBL10703748,PC-id_88653779	186.207	ORKDHFDAMSLWSR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004519
FC1=CC(C1)(CC=C)COCOC	PC-id_57723678	186.223	UEEJRPUKWOFFNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004520
CCOC1=C(C(=O)C1=O)SCC	PC-id_134888107	186.228	NQVCHLYFOSHYTK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004521
N#CCN1C=CC1S(=O)(=O)CC	PC-id_140313262	186.232	PJBYBKUYYQMAOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004522
O(C1=CC(O)C1(OC)C)C(C)(C)C	PC-id_10419923	186.248	FUQYOSIMZGOMQT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004523
OC(C1C(C(O)CO)(C=C1)C)(C)C	PC-id_73115313	186.248	AAHAXBHXUPJFGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004524
OCCCCOC1=CC(O1)(C)CC	SCHEMBL19223098	186.248	PWYXWFAWKGASER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004525
OC([C@H]1[C@@]([C@H](O)CO)(C=C1)C)(C)C	PC-id_11816294	186.248	AAHAXBHXUPJFGN-XKSSXDPKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004526
O=C(NC1=CSC1)NC(C)(C)C	PC-id_70619664,SCHEMBL11605321	186.275	FBRIGHMREOAICA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004527
C1CC(C1)C1=C(C(C1)C1CC1)C1=CC1	PC-id_141322116	186.293	LPWMJTHSNXUAFZ-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-004528
CC#C[C@]1(C(=C([C@]1(C)C#CC)C)C)C	PC-id_134887714	186.293	QZFQPCLIWBNTPN-KBPBESRZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004529
CCN(C1=C(N)C(=S)C1=S)C	PC-id_140427969	186.298	NMMCCSMUGQYJQK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004530
S=C1C(=C(N)C1=S)NCCC	PC-id_20712501	186.298	YFQFBEDSGWQODI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004531
S=C1C(=C(NC)C1=S)N(C)C	PC-id_20712505	186.298	VJOXXIMMDBUVNY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004532
C1([2H])(C=C(O1)CCCCCCCC)C([2H])([2H])[2H]	PC-id_135012839	186.327	YTKUVEZOFOQRBZ-MYWIMPBJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004533
CCOC1C(=C(C1(F)F)F)Cl	PC-id_20326324,SCHEMBL11630009	186.559	PIOKKMZRLLSPSN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004534
ClC1=C(OCCC=C)C(=O)C1=O	PC-id_85621909	186.592	OHLVQUIGDPZYNL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004535
O=CC(C1=C(Cl)C(=O)C1=O)(C)C	PC-id_101639121	186.592	OUSBJXWBZSZDFD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004536
CCCCCC1=C(Cl)C(=O)C1=O	PC-id_88506300,SCHEMBL9724292	186.635	OOCFFBUFFZQDTQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004537
CCCCCC1=C(CC1)CCCl	PC-id_88595271,SCHEMBL10335912	186.722	WVEBSVBOIASWPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004538
CCCCC(C1=CCC1)CCCl	SCHEMBL10335910,PC-id_88595270	186.722	NSFGAIPNGBQDLL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004539
COC1=C(CC1Br)C#N	PC-id_154369483	186.963	OFELQSKFAUCPLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004540
O(NC1=C(O)C(=O)C1=O)CC(=O)O	PC-id_10821428	187.107	IXMJPNCPNNECDC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004541
FC1(F)C(F)(F)C(=C1N(C)C)F	PC-id_23233714	187.111	YEZKHPZWFCHEJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004542
O=C(C1=CCC1)NC1(CC1)C(F)F	EMOLS-id_265572516	187.187	BEGZSJQTBREXPK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004543
[O-]C1=C(C(=O)C1=CC=CC)C=CC=C	PC-id_59922452	187.215	YKZMYRYLNHVBMC-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-004544
SCCNC1=C(OC)C(=O)C1=O	PC-id_13764829	187.216	HCVUKTRYCBBZGI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004545
CCC1(CC)SC(=C1N)C(=O)O	SCHEMBL10589864,PC-id_70398420	187.259	GJTBFZYSNFROTF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004546
CSC1=C(N(C)C)C(=O)C1=S	ZINC22_1585843,PC-id_339341,CoCoCo_5625130,NSC365560	187.282	FQUOLWGCPIHCAK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004547
S=C1C(=C(OC)C1=S)N(C)C	PC-id_20712503	187.282	UTBXDCUZQKYWET-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004548
CCN(CC)C1=C(C(=S)S1)C	PC-id_134855578	187.326	TYOQXFPKTIVBOL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004549
ClC1(Cl)C(=C(Cl)C1=O)O	PC-id_19888986,SCHEMBL9418712	187.409	PKJJMYHYFOAHHG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004550
ClC(C1=CC(=O)O1)(Cl)Cl	SCHEMBL8761209,PC-id_57291286	187.409	NKCGLIZOJPAEKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004551
Cl[Si](C1=CCC1)(Cl)Cl	PC-id_141481541	187.527	HGFNOXXXOBNMIU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004552
ClC1=C(N(CC)CC)C(=O)C1=O	PC-id_10932182	187.624	ANFCVJDHXGWDFK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004553
O=C1C(=C(C1=O)NC(C)(C)C)Cl	PC-id_98098834	187.624	AJCXENALYOUEMS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004554
C1#CC(C1C(F)(F)F)C(F)(F)F	PC-id_155202530	188.006	LGTRFBITHPASAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004555
CC1C=C[C@@]1(C)[C@H](C)Br	PC-id_163610291	188.02	HFHQFCONHYPQFC-ZHFSPANRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004556
FC1(F)C(F)(F)C=C1C=C(F)F	PC-id_23234752	188.07	URAYKKDNVWPLEG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004557
O1C(C(=C1C(=O)O)C(=O)O)C(=O)O	PC-id_20463650	188.092	WWXYDNKMWWFJIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004558
C(=C
/C(=NC#N)/C(=C/N=N)/C1=O)/N=N	PC-id_136014692	188.146	FJWAHLRZNJHIAB-HVEUBGORSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004559
N#CN=C1C(=C=NN)C(=O)C1=C=NN	SCHEMBL12433545,PC-id_59827476	188.146	HBCCXNLORWMROO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004560
FC1(C(C(=C1C)C)C(=O)O)C(=O)O	PC-id_74023681	188.153	WYJCEXANDJWLDS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004561
F[C@@]1([C@H](C(=C1C)C)C(=O)O)C(=O)O	PC-id_23236039	188.153	WYJCEXANDJWLDS-XRGYYRRGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004562
COC1=C(C(C1=O)(OC)OC)OC	SCHEMBL11525312,PC-id_12500884	188.178	VTWINKPBSMRTEE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004563
O=C(O)C(N)CCC1(O)C(=NC1)O	PC-id_3035052,CNP0335930,SCHEMBL9393270	188.181	BSUXZTMOMIFYBF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004564
OC1=C(C(=O)C1=CC=CC)C=CC=C	PC-id_59922453	188.222	YKZMYRYLNHVBMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004565
O(C1=CC[N+]1(CCO)CCO)CC	SCHEMBL11668240,PC-id_70631241	188.244	GIIFKBKWOOYEOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004566
O=C(C1=CCC1)CCCC#CC(=C)C	PC-id_56945365	188.266	OIRCQVXSUXTTBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004567
S=C1C(=C(N)C1=S)N(O)CC	PC-id_20712497	188.271	HTDJVSSWTAUZAO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004568
CC1CC(=C1)[Si](OC)(OC)OC	PC-id_88393307,SCHEMBL8974268	188.296	OKAPCTSGMYFFJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004569
C1(C(C)(C)C#CC)(C(=C(C1=C)C)C)C	PC-id_14954578	188.309	AWXWOZYZWSHFMT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004570
CCCC1=C(S)C(=S)C1=S	PC-id_59755480,SCHEMBL12432481	188.333	KGCWQGMVOLVLHR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004571
ClC(=O)OCOC(=O)C1=CC=C1	PC-id_59389124,SCHEMBL13001670	188.565	MZMBUJAOZTUFPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004572
ClC1=C(OC)C(O)(CC=C)C1=O	PC-id_10058299	188.608	ZOSGOXYWKJDCBG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004573
ClCCCNC1=C(N)C(=O)C1=O	SCHEMBL10911823,PC-id_20280854	188.612	AJEHZCPSWONMKE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004574
C1CC(=C1)C(=O)OCCCCCl	SCHEMBL2405471,PC-id_86657199	188.651	BCAMGEBNHZETHS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004575
CC1C(=C(C1(C)C)Cl)OC(=O)C	PC-id_134892720	188.651	IASUQHCYVKVSOB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004576
CC1=C(C=C1Br)[N+](=O)[O-]	PC-id_147228904	188.943	CINBGAXSQIFIDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004577
C(NC1=C(C(=O)C1=O)N)[P+](=O)O	PC-id_153877920	189.006	DPUSPMZULPSAGM-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-004578
CCOC1=C(C(=O)C1=O)C(=C=[N-])C#N	PC-id_101548430	189.148	IQHAQQWIKVUWCP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004579
CCOP(=O)(C1=NC=C1)OCC	PC-id_142775495	189.149	JFJDMUBHIXBUBM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004580
CN(S(=O)(=O)C)C(=O)C1=CCC1	PC-id_102414449	189.232	ALTZHCZQMQOCMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004581
C=CC(=C)C1(CC)C=CC1(CC)N=C	SCHEMBL21120888,PC-id_138740054	189.297	HITOVRIBHBJDTN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004582
C/C=C(/CNC1=C(C(=C)C1C)C)C=C	PC-id_143342143	189.297	PWFDUGUKHJXNIY-KPKJPENVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004583
C=C[C@@H]1C(=C[C@H]1C=C(NC(=C)C)C)C	SCHEMBL19677038	189.297	GOLGRLRMWAJRSF-QWHCGFSZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004584
C1(C(C)(C)C#CC)([C+](C(=C1C)C)C)C	PC-id_85665301	189.317	GZBCPVLGWLITNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004585
ClC1=C(Cl)C(=C1Cl)Cl	PC-id_14299275,SCHEMBL9242978	189.855	JVHVXIZKFVXSPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004586
CSSNC1=C(C(=O)C1=O)N	PC-id_164157479	189.987	ZJZWVSNLEMAVQA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004587
PC1=C(P)C(C1(F)F)(F)F	PC-id_57179806,SCHEMBL10978695	190.016	HBJXKIBYJUMSCD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004588
BrC1=C(N)C(C1=O)(C)C	PC-id_141067828	190.038	OHYGJEXSAKJNKS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004589
C1C(C(=N1)[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	PC-id_89522665,SCHEMBL14890649	190.071	GMEOWFDYRINPTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004590
C1=CC(C1C(F)(F)F)C(F)(F)F	SCHEMBL14892844,PC-id_89524209	190.086	PCBDZPNVNLFLPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004591
CC1=C(C(C1(F)F)(F)F)C(F)F	SCHEMBL250820,PC-id_87084155	190.086	BSTUOJRJFKAXAA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004592
CC(C1=C(C(C1(F)F)(F)F)F)F	SCHEMBL251047,PC-id_87084202	190.086	WKRSCHFYTLUJHI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004593
FC(C1(CC=C1)C(F)(F)F)(F)F	PC-id_122402053	190.086	FYDOEFSGSQOCIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004594
FC(C1=C(CC1)C(F)(F)F)(F)F	SCHEMBL11391706,PC-id_54003140	190.086	KMZZHDHPRYZKBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004595
S(=O)(O)C1=CC(F)(F)C1(F)F	PC-id_57127502	190.116	IHJSLBQQWIECFL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004596
C/C(=N/N=C)/CCC1=CC(N1)(C)C#N	PC-id_155110937	190.122	QWODOOONYXXXHQ-ZSOIEALJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004597
C/C(=C/N)/C(=NCCCC1=CC=C1)C	PC-id_153395900	190.147	JAZGUDVFZKBVIC-KGGCSAKESA-N	00001100000000000000000000000000000000000000000000000000	06-01-004598
O(C1=C(OCC#C)C(=O)C1=O)CC#C	PC-id_53425129	190.152	AFMJPZLMCUQWOZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004599
CCOC1=C(C(=O)C1=O)C(=C=N)C#N	PC-id_136912236	190.156	QVPGUVWSNFPBFR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004600
P(=O)(OCC)(OCC)C1=CCC1	PC-id_10845346	190.177	VVRIOIKWTRJCOC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004601
CCCC(C1(C(C(=C1O)O)O)O)O	PC-id_89221102,SCHEMBL13994274	190.194	DTZPGCNGFHYOTG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004602
CC1=CC(=C1C#CC#CCCCO)F	SCHEMBL20025548,PC-id_134394940	190.214	MAPZSKOJNCBMMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004603
C=CCC1=C(CC=C)P=C1CC=C	PC-id_139644115	190.221	KCYTYKVGJADPKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004604
CC1=CCC1C(=C)C(=C)C1CCC1O	PC-id_89007062	190.281	LAOYLDQWFBBUFA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004605
OC1CC[C@@H]1C(=C)C(=C)C1CC=C1C	SCHEMBL13062098	190.281	LAOYLDQWFBBUFA-OTTFEQOBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004606
C1(=C(CC1)C#CCCCC)CCCC	PC-id_10559594	190.324	UTJLIPQTAMGOHM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004607
C1(CC=C1C/C=C/CCCC=C)(C)C	PC-id_5368735	190.324	OVLRTDUBDSGRDR-CMDGGOBGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004608
C1(CC=C1CC=CCCCC=C)(C)C	PC-id_564369	190.324	OVLRTDUBDSGRDR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004609
CC(C(C1(C)CC1)(C)C)(C1=CC=C1)C	PC-id_145003901	190.324	BKRWWQHPJJWBKI-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004610
C(CCCC1=CCC1)CCC1=CCC1	PC-id_23170040	190.324	OUOVEXAEJNMQFA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004611
C(=C(C)C)CCC(=CC1C(=CC1)C)C	CNP0123362	190.324	NTLJWXSHFFCEJB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004612
C/C(=C/[C@H]1CC=C1C)/CCC=C(C)C	UNPD219238	190.324	NTLJWXSHFFCEJB-GAJOTYCWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004613
C[Si](C)(C)OC1=C(CC1)OS	SCHEMBL14470739,PC-id_89346188	190.335	YHEVXGZVSASYII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004614
CCCC1=C(C(C1=S)S)S	PC-id_89327973	190.349	QTALGAGDAZKSNT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004615
CCCC1=C(S)[C@H](C1=S)S	SCHEMBL14401538	190.349	QTALGAGDAZKSNT-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004616
ClC1=C(OC)C(F)(F)C1(F)F	PC-id_21529357,SCHEMBL11358310	190.523	PNHVPPBJKUUVIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004617
OCC1=C(Cl)C(C1(F)F)(F)F	PC-id_119097191	190.523	JQMUHIUZTIFLEE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004618
CC(C(C1(C)C=C[C@]1(C)F)C)Cl	PC-id_138665268	190.685	XSFHCFSNXTYXAM-VVIYDGDNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004619
CC([C@H]([C@]1(C)C=C[C@]1(C)F)C)Cl	SCHEMBL21035377	190.685	XSFHCFSNXTYXAM-ITRGKUQCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004620
CCOC1=C(CC1(Cl)Cl)C#N	PC-id_154376171	190.99	XFNLICSYTVJHMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004621
ClC1=C(Cl)C(=O)C1(O)CC#C	PC-id_10104006	191.011	WYONWMFPROTHDT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004622
BrC1C(=CC1=O)OCC	PC-id_71545079	191.023	ALYSRKQCGIOTRI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004623
CC(=O)OC1C=CC1Br	PC-id_90966185	191.023	UEJDUYRIUZCRMX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004624
COC(=O)C1CC(=C1)Br	EMOLS-id_324115169	191.023	AHGLXHFTZDQVKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004625
CC1CC=C1C(=C1CC1CCNC)C	PC-id_163557133	191.167	FOAWWKPEXWLWEX-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004626
CC1=C(C(C1)N)CCC1CC1C(=C)C	PC-id_163834954	191.167	OGYMDCDRADJZEM-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004627
CCC1=C(C(=C)C1=C)CCCNCC	PC-id_155051467	191.167	MOHVWWPXUNOFNQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004628
CC[N+](C1=C([O-])C(C1=O)(F)F)(C)C	NSC668845,CoCoCo_5734748,PC-id_381773	191.175	HASXWNVAYFHIGM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004629
CCC1(C)CC(=N1)NS(=O)(=O)N	PC-id_145510876	191.251	DPDZNQIVOPBOAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004630
C[C@]1(C(O)C)[C@H](C=C1NC(=C)C)C#C	SCHEMBL18509720	191.269	ULPXZXJRBBEKKL-CIZBPJNJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004631
CC1C=CC1CC1C=C(C1C)N(C)C	PC-id_137475851,SCHEMBL20716887	191.313	AOYVMKWFUCYPRV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004632
CC(C1=CC(C1)(C)NC1(C)CC=C1)C	SCHEMBL20706588,PC-id_137466314	191.313	PYIYFQSBEPJIRB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004633
CC/C(=C(CC)/C)/C1C=CC1(C)N=C	SCHEMBL18597453	191.313	OKIFAAQBXXQWEE-ZHACJKMWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004634
S(O[Si](C)(C)C)C1=NCC1O	PC-id_53882162	191.323	HKOANSBVNRFJIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004635
C[C+]1C(=C)C(=C1C(C)(C)C)C(C)(C)C	PC-id_139106392	191.332	FATARNNJKFEAPR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004636
CCCC(CC)(CC1=CC=C1)[C-](C)C	PC-id_91044640	191.332	AIKDMXNMHCYUHY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004637
ClC1=C(C(C1)(Cl)Cl)Cl	PC-id_54180122,SCHEMBL2529641	191.871	PBFAJCGOBFIZFN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004638
ClC1=CC(C1Cl)(Cl)Cl	SCHEMBL9422229,PC-id_53637005	191.871	HIQHIGQNDAXVJC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004639
Cl[C@H]1[C@@H](Cl)C(=C1Cl)Cl	PC-id_54396060	191.871	VKAJLXVINQTHIC-XIXRPRMCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004642
CC1(C(=CC1(C)F)Br)C	PC-id_163570477	191.995	FYXFOODJYSJBDA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004643
C1C=C=C1CI	SCHEMBL12427260,PC-id_88913318	191.998	XBVDINJZAKKUJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004644
CC1=CC(=C1)I	PC-id_68264053,SCHEMBL12437813	191.998	NVNOLQNQRRGVHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004645
CC1=C=CC1I	SCHEMBL12571612,PC-id_88935000	191.998	OFZHTGFHMKPQTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004646
FC(C1(OC=C1)C(F)(F)F)(F)F	PC-id_122402054	192.059	GDBFWQSMHLMMAK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004647
CC(C)C(=O)C1=C(CC1)C(F)(F)F	PC-id_153584743	192.076	VIDBMISWVCISLP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004648
[Na+].C1(=C(C(=O)C1=O)N)NCC(=O)[O-]	CHEMBL142206	192.105	YYGGGJXPMPYAGN-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-004649
FC1(F)C(C=C1F)C(=O)CC(=O)C	PC-id_58864072	192.135	STRBAZXDOHQXKX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004650
C(C1=CCC1)B(CCCC)CCCC	PC-id_13624177	192.149	NUJUMCGPQCZSJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004651
CC1CC=C1C(=C1CC1CC[NH2+]C)C	PC-id_163557132	192.175	FOAWWKPEXWLWEX-UHFFFAOYSA-O	00101100000000000000000000000000000000000000000000000000	06-01-004652
FC1(F)C(=C([N+](CC)(C)C)C1=O)O	PC-id_381774	192.183	HASXWNVAYFHIGM-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-004653
C1C(C=C1C(=O)O)CS(=O)(=O)O	PC-id_90721377	192.19	DGXFEHMRLMMPRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004654
O(C1=C(C(=O)C1=O)C#CCCCC)C	PC-id_10035472	192.211	PSOQRQAWJJSPJU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004655
O(C1=C(C(=O)C1=O)C#CC(CC)C)C	PC-id_15129436	192.211	IVMOHFXUYHMPSJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004656
C=CCNC1=C(C(=NCC=C)C1=O)O	PC-id_88673173	192.214	WXQQBVGKQVVIKT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004657
C=CCNC1=C([O-])[C+]([C+]1[O-])NCC=C	SCHEMBL10818688	192.214	UPNXJIPGESRNIW-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-004658
CN=C/C=C(/NC1=C(C)C(=O)C1=O)C	PC-id_143748241	192.214	SQLAGSHZLYQXKI-UGEVITPCSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004659
CC1=C(C)[C@]([C@@]1(C)N=[N+]=[N-])(C)N=[N+]=[N-]	PC-id_101095341	192.221	WCLTWGLTLMJHTE-YUMQZZPRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004660
OC1C(=C(C1=O)C=C(C)C)CCC=C	PC-id_10750269	192.254	CAZIYJZEIIYXMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004661
O=C1C(=C(C1=O)CC=C)CCCCC	PC-id_11008768	192.254	YSRMLUAHJYDTQJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004662
O=C(NC(CC)(C)C)C1=C(CC1)C#N	PC-id_85878340	192.258	NCOXFMUBJFTDKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004663
CC/C(=C(/C(=CC1=C(NC1)C)/C)N)/C	PC-id_139354878,SCHEMBL21205775	192.301	YLSYGJNEKLJLSG-ZVYJERETSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004664
C1(C(C(=C1C(C)C)C(=C)C)(C)C)(C)C	PC-id_13396207	192.34	JDTGOKLHKJFWEY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004665
C1(CC(=C1)C(C)(C)C)C(=C)C(C)(C)C	PC-id_13949255	192.34	GFBLOIZDMBBVLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004666
C1(=C(CC1)CC)CCCCCCC=C	PC-id_21798842	192.34	TXLQEHKDAWRRAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004667
C1(=C(CC1)CCCC)CCCCC=C	PC-id_57047505	192.34	BGGWTVAMVVTBRL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004668
CC1=C(C(C1=C)C(C)(C)C)C(C)(C)C	PC-id_101211652	192.34	VUVXMEVFNQWFRB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004669
CC1=C(C)C(=C1C(C)(C)C)C(C)(C)C	PC-id_101094581	192.34	QCKROINSWFYUJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004670
C=C1C(C)C(=C1C(C)(C)C)C(C)(C)C	PC-id_101211653	192.34	GPRGJKLCSZXHLU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004671
CCCC(CC)(CC1=CC=C1)C(C)C	PC-id_91044641	192.34	XIUQGJFLBNQZIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004672
CCC(C)C(=C(C)C(C)C1=CCC1)C	PC-id_90763659	192.34	MUQRHPXHWDMCCF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004673
CCCC(C)C(C)(C=CC)C1CC=C1	PC-id_91377084	192.34	BMMNWRCIEOTICO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004674
ClC1=C(OC)C(OC)(OC)C1=O	SCHEMBL11519316,PC-id_12500886	192.597	SKTGLDOIAAXYMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004675
Cl.C
(=N/CCN)/C(=C(C1=O)O)O	CHEMBL138030	192.6	GDBRUVSJWFYQLL-DCDCITSCSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004676
CC1=C(N=C1)I	PC-id_142779997	192.986	ZPUVJKBLCLFEMK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004677
CC1(CC(=C1)C(=O)Cl)C(=O)Cl	PC-id_88583010,SCHEMBL10267567	193.027	DJRQUGJSSUCDEE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004678
ClC1=C(Cl)C(=O)C1(O)CC=C	PC-id_14977316	193.027	CRAUTACFDDINBC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004679
ClC(=O)C1CC(=C1C(=O)Cl)C	PC-id_71430759	193.027	ALXKBWMTMATJTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004680
BrC1C(O)C=C1OCC	PC-id_71545080	193.038	OPOCZYVZJKPSLG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004681
ClC1C(=C(C1Cl)C)CCC=O	PC-id_85720395	193.07	YBFGIYNFNMVCCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004682
ClC1(C(=C(Cl)C1=O)CC)CC	PC-id_13776972	193.07	BEOUAMYQZLAQPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004683
ClC1C(=C(Cl)C1=O)CCCC	PC-id_13776973	193.07	ZQUGMCZQHTZKTQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004684
ClC1(Cl)C(=C(C1=O)CC)CC	PC-id_10262006	193.07	WXNNITLNTYJMPU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004685
ClC1(Cl)C(=CC1=O)CCCC	PC-id_12530219	193.07	RYJBTXRVYHOYSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004686
ClC1(Cl)C(=CC1=O)C(C)(C)C	PC-id_13840278	193.07	QXJAWHVGZAFUOU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004687
CC1=C(C(=O)C1=O)NCC(F)(F)F	SCHEMBL12331976,PC-id_88906655	193.123	NSMSVOQPQOFGCD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004688
CC(C)C(=C)N(C)C(=C)C1=CC=C1F	PC-id_164023493	193.127	VBNQDTWDPYGXSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004689
C/C=C(/NC)N(C)C(=C)NC1=CCC1	PC-id_154937258	193.158	KSOVIXIIVNAVHZ-WZUFQYTHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004690
C=CCCOC1=C(C(=O)C1=O)N=[N+]=[N-]	PC-id_134874307	193.159	ZTZXXRQJAMGWAD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004691
C1(C)(CC(=C1C(=O)C(F)(F)F)N)C	PC-id_71670200,MCULE-5234143373	193.166	NZBFJFMWCNQQPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004692
CCC(C1=CN=C1C(F)(F)F)(O)C	PC-id_134381790,SCHEMBL20011100	193.166	PUHNUIDRNRVXNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004693
CC(C(F)(F)F)NC(=O)C1=CCC1	EMOLS-id_265794715	193.166	QRAKFZRQFLGTCK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004694
CCC1(CC=C1)N=CC(C)(CC)CC	PC-id_155197276	193.183	ZJGIRIQRYBQMLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004695
CCC(=C)C1(C=CC1(CC)NC)CC	PC-id_155197242	193.183	LKOHRQOSXVRLRE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004696
CCC(=C)C1(C=CC1(C)N(C)CC)C	PC-id_155197251	193.183	RLZDDRYCVCEGIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004697
C/C=C(/C1=C(O)C(=O)C1=O)C=C(/N)C	PC-id_144650419	193.199	YCACAHNLYGKYAJ-XNYOYJNRSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004698
C=CCC1=C(C(=O)C1=O)N(CC)CC	PC-id_101639146	193.242	YONSKPCCKPCION-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004699
C/C(=CC(=N/CC)C)/C1=C(C(=O)C1)O	SCHEMBL18677153	193.242	WUQBLQGXJYIBFI-VRGHMPIDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004700
CC(C)(C)OC(=O)N1CC=C1CC#C	PC-id_134966773	193.242	HQKCEKXWRNIPDL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004701
O=C1C(=C(C1=O)C#C[Si](C)(C)C)N	PC-id_142659108	193.275	LXUUMCMZPZKYNK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004702
CC1C=CC1CC1C(C(=C1OC)N)C	PC-id_137476591,SCHEMBL20717674	193.285	ZGNCUBAGQDJICR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004703
CCCCC1=C(N=C1C=O)CCCC	PC-id_91611847	193.285	BFIKVXXUDQCBPK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004704
O=C1C(C(=C1C)N(CC)CC)(C)C=C	PC-id_13840734	193.285	OUSLFVZEEDMWHR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004705
CC(C1CCC1)CCNCC1CC=C1	PC-id_138747687,SCHEMBL21129349	193.328	MYOZIHOQGYYUGX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004706
CC(C)C1CC1CCC1C=CC1NC	PC-id_134238739	193.328	QYLSULLHQSUJRT-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004707
CC(CC(C1CC=C1)CC1CC1N)C	SCHEMBL14307866,PC-id_89300998	193.328	OBPJTSOXIKJAIT-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004708
CCCCC(=C)CCC1=CNC1(C)C	SCHEMBL20197035,PC-id_134549431	193.328	IRIRSNKTYFWZKA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004709
CCC(=C)NC(C1=C(CC1)CC)CC	SCHEMBL21013646,PC-id_138645560	193.328	GWTGHELTECGPKJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004710
CC(C(NC(C)C)CCC1CC#C1)C	SCHEMBL18462517	193.328	DBRTXCRMVCYLLP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004711
CNC1C=CC1CC[C@H]1C[C@H]1C(C)C	SCHEMBL19847588	193.328	QYLSULLHQSUJRT-ZFQMDJOTSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004712
ClC1=CC(C1(Cl)Cl)(F)F	CoCoCo_5403958,PC-id_259397,NSC89324,LI_124824	193.407	KMUDUDBBULHIIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004713
ClC1=C(C(C1Cl)(F)F)Cl	PC-id_119095681	193.407	VJAPUMAEPHPXLX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004714
C1CC(=C1S(=O)CCCN)Cl	PC-id_91043783	193.694	BGWIYNWLVVDGRA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004715
ClC1C(S(=O)CCCN)C=C1	PC-id_58684545	193.694	KJRCNAUPBRPBKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004716
C1CC(=C1C(=O)Cl)Br	PC-id_153777369	193.913	NCHCXLWQFRWVRS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004717
N=C1NC=C1I	PC-id_142770725	193.974	AAFIPUTXLFZODU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004718
C1(C(=C(C1(F)F)F)C(=O)[O-])C(=O)[O-]	PC-id_154237910	193.984	OBHAJCNAXZMJIP-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-004719
C1=C(C(C1(F)F)(C(F)(F)F)F)F	PC-id_154967033	193.997	XRDNROPRDCHMCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004720
[B]N(C)N(C)C1=C(C(=O)C1=O)N(C)N	PC-id_91401852	193.999	YEZFEPPSJQYCNE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004721
C1CC(=C1)CI	SCHEMBL14216522,PC-id_89275741	194.014	KOEYRHONANHXPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004722
CC1(CC=C1)I	PC-id_89267579,SCHEMBL14174958	194.014	QMSAUGRVAJLTET-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004723
CC1=CC(C1)I	SCHEMBL12678762,PC-id_88947817	194.014	OJDCDVLMWUYHCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004724
CC1=C[C@@H](C1)I	SCHEMBL14350731	194.014	OJDCDVLMWUYHCI-YFKPBYRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004725
IC1=C(CC1)C	PC-id_10888804,SCHEMBL18607308	194.014	IIAMVVSQXFKVPH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004726
C1(=C(C(C1(C(F)F)F)(F)F)F)F	SCHEMBL10625497,PC-id_88641637	194.05	WVMADUPOPGAZQU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004727
C1(=C(C(C1(F)F)(F)F)F)C(F)F	PC-id_87084012,SCHEMBL249790	194.05	LFEYBIHQMVOFLB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004728
FC1=CC(C1(F)F)(F)C(F)(F)F	SCHEMBL11408064	194.05	VKTGXMHGHWVFHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004729
FC(C1=CC(C1(F)F)(F)F)(F)F	SCHEMBL14893102,PC-id_53832073	194.05	HLFSIQINPRVLNI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004730
O=C(C(F)(F)F)C1=C(O)C(=O)C1=O	PC-id_140085723	194.065	HNDPTLZZPHFOJI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004731
O=C(C(F)(F)F)OC1=CC(=O)C1=O	PC-id_142658245	194.065	LZUUGGJDZCCWBR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004732
CC(C)CCC1=C(C(=O)C1=O)C(C)C	PC-id_161491416	194.131	NWINMYRPYFSYSI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004733
CC(=C)CO[C@@H]1C=C[C@H]1OCC(=C)C	PC-id_153457259	194.131	NLRJKOGGPCJIAE-VXGBXAGGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004734
CC/C=CNC[C@@H]1CC=C1NC(=O)C	PC-id_164027630	194.142	VFADEZLMYPWYTF-VAWSOJLPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004735
C/C=C/C(=O)OOC(=O)C1=C(C=C1)C	PC-id_140826117	194.184	XWOLZRSNDVNOQL-ONEGZZNKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004736
C=CCOC1=C(OCC=C)C(=O)C1=O	EMOLS-id_337428690,SCHEMBL2239455,PC-id_15663700	194.184	OQTJVAMKSMDBSR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004737
O(C(=O)C1=C(C(=C)C1=C)C(=O)OC)C	PC-id_10976358	194.184	KOWDDHLPYWJAFP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004738
CCC(=NC1=C(C(=O)C1=O)N)C(=O)C	PC-id_91475473	194.187	AQHHFGVNMJCNQW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004739
FC(F)(F)COC1=CCC1C(C)C	PC-id_13485122	194.194	HXUWRGLHGDIGLE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004740
FC(F)(F)COC1=CC(C(C)C)C1	PC-id_13485120	194.194	BDYHLNFLJIPXBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004741
CC(C=C)C(C)OC(=C)C1=CP=C1	SCHEMBL20307709,PC-id_135158955	194.21	INOBHUHPCDMHPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004742
CC(=C)C1=C(C(=O)C1=O)OC(C)(C)C	PC-id_101036815	194.227	QUCFGCWJYOTQBR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004743
C=CCOC(=O)C1=C(CC1)CC1CO1	SCHEMBL681132,PC-id_87141503	194.227	TXQCHHYIGBBUQH-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004744
CCOC1=C(C(=O)C1=O)C(C=C)(C)C	PC-id_101639162	194.227	DYFVICPDWIVUPK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004745
OC1(C(=C(C1=O)C=C)OC)CC(=C)C	PC-id_10607845	194.227	NWZOGRRLPDPAQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004746
O(C1=C(C(C)C)C(=O)C1(O)C#CC)C	PC-id_10821629	194.227	VXDHTVCRZKENJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004747
O(C1=C(C(=O)C1=O)C=C(C)C)C(C)C	PC-id_14957316	194.227	GDSQFXWTBJWWJE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004748
OC(=O)C1=C(C(C1)(C)C)/C=C/C(=O)C	PC-id_5363913	194.227	JFOLPIPBTDOSEZ-SNAWJCMRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004749
OC(=O)C1=C(C(C1)(C)C)C=CC(=O)C	PC-id_540190	194.227	JFOLPIPBTDOSEZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004750
C1CC(=C1)C(CCCC[N+](=O)[O-])C#N	PC-id_88442152,SCHEMBL9295273	194.23	PINNQPNTJOMRTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004751
O=C1C(=CN(C)C)C(=O)C1=CN(C)C	PC-id_57872329	194.23	MDKPXRDQPQDBSK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004752
C1(=C(C(=O)C1=O)C(C)(C)C)C(C)(C)C	TIMTEC52089,MCULE-7126044010,CoCoCo_5752317,EMOLS-id_799070,PC-id_389285,SPECS-id_AN-967/15490021,SCHEMBL18026353,ZINC22_1650089,NSC685038	194.27	NJXACQUMLRHVDZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004753
CCC(C1=C(C(=O)C1=O)C(C)(C)C)C	PC-id_143355865	194.27	BOGBSISXDOJNMY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004754
CCCCC1=C(CC1C(=O)OC)C=C	EMOLS-id_337901073	194.27	RQZIEHUNWIWICF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004755
CCCCC1=C(C=C)C(C1)C(=O)OC	EMOLS-id_337901329	194.27	HPMNSGPTWQYFTG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004756
CCCCC1=C(CCCC)C(=O)C1=O	SCHEMBL3411557,PC-id_15723251	194.27	JTCGMXVILGPGGY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004757
CCCCC1=C(C=C)[C@H](C1)C(=O)OC	EMOLS-id_337901841	194.27	HPMNSGPTWQYFTG-NSHDSACASA-N	00001100000000000000000000000000000000000000000000000000	06-01-004758
CCCCC1=C(C[C@@H]1C(=O)OC)C=C	EMOLS-id_337901585	194.27	RQZIEHUNWIWICF-NSHDSACASA-N	00001100000000000000000000000000000000000000000000000000	06-01-004759
CCCCC#C[C@]1(O)C=C[C@@]1(C)OC	PC-id_101660413	194.27	OXICZYXLEMSNJQ-NEPJUHHUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004760
CCCCCCCC1=C(C)C(=O)C1=O	PC-id_143337949	194.27	XSPQUEJSLUGAAD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004761
C=CCCCCCC(=O)OC1=CCC1	SCHEMBL3448129,PC-id_22149498	194.27	SGTFPZOCJLPHPC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004762
CC(CC=C)CCC(=O)OC1=CCC1	SCHEMBL4800581,PC-id_87730251	194.27	HXHMMXLXIAFJPJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004763
C=CCCCCOC(=O)CC1=CCC1	PC-id_88624935,SCHEMBL10527666	194.27	RZMYYPBGUIZWJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004764
CC(=C)CO[C@@H]1C=C[C@@H]1OCC(=C)C	PC-id_11041650,SCHEMBL13038549	194.27	NLRJKOGGPCJIAE-TXEJJXNPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004765
C=CCOC[C@@H]1C=C[C@@H]1COCC=C	PC-id_122223547	194.27	BDMAHJQVEORYPQ-TXEJJXNPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004766
O=C1C(=CC1=O)CCCCCCCC	PC-id_15320280	194.27	KDBSGKCHFSOJFJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004767
O([C@@]1([C@](O)(C=C1)C#CCCCC)C)C	PC-id_11819961	194.27	OXICZYXLEMSNJQ-NWDGAFQWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004768
O(C1(C(O)(C=C1)C#CCCCC)C)C	PC-id_73116531	194.27	OXICZYXLEMSNJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004769
O(C1C(OCC=C)C(=C1C)C)CC=C	PC-id_22948199	194.27	KBLZAXZHACTKGC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004770
O(C1C(OCC(=C)C)C=C1)CC(=C)C	PC-id_20816780	194.27	NLRJKOGGPCJIAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004771
O=C([C@]1([C@@](C(=C1C)C)(C)C(=O)C)C)C	PC-id_11264032	194.27	FAPUCZQWUVCJSI-TXEJJXNPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004772
O=C(C1(C(C(=C1C)C)(C)C(=O)C)C)C	PC-id_12205623	194.27	FAPUCZQWUVCJSI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004773
O([C@H]1[C@@H](OCC=C)C(=C1C)C)CC=C	PC-id_59873941	194.27	KBLZAXZHACTKGC-TXEJJXNPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004774
CCNC1=C(C(=O)C1=C)NCC(C)C	SCHEMBL18194524,PC-id_122660059	194.273	QQIIVMMMXRYGAB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004775
CCCC(CCC(=O)C1=CCC1)(C)C	SCHEMBL18897314	194.313	CFFNETMTOYSLNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004776
O=C(C1=CC(CCCCCCC)C1)C	PC-id_13636206	194.313	DXXVOPYAIIXJOU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004777
C1(C(=CC1)CCCCCCC)CCC	PC-id_72660132	194.356	BVOSTCFPILSIDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004778
CCCCCC(CCCC)C1CC=C1	PC-id_91362437	194.356	NTBLJHXCDPFYLQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004779
CCCCC[C@H]1C=C[C@@H]1CCCCC	PC-id_102289758	194.356	NSGVZDQBJWGMEQ-KBPBESRZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004780
[C@@H]1(C(=CC1)CCCCCCC)CCC	PC-id_60138372	194.356	BVOSTCFPILSIDM-CYBMUJFWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004781
ClC1(Cl)C(F)(F)C(=C1F)F	PC-id_21692903,SCHEMBL1279802	194.942	ZBBJWBHENXLYIS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004782
FC1=C(F)C(C1(F)Cl)(F)Cl	SCHEMBL9471431	194.942	PRZMJWFWZJCFRB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004783
FC1(F)C(=C(Cl)C1(F)F)Cl	EMOLS-id_907157	194.942	KAHIKRWJVIBASP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004784
ClC1(Cl)C(=C(C1=O)C)OCC	PC-id_86185256	195.043	QWIUUARXSOIFNO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004785
ClC1(Cl)C(=C(NC)C1=O)NC	PC-id_12362330	195.047	MSKWLSFGYBYQFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004786
CC(CC(C1=C(C(=O)C1=O)O)N)C=C	PC-id_163997454	195.09	UFYWEZLOESXYHD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004787
[B](C1=CC=[N+]1C)OC(C)(C)C(C)(C)O	PC-id_163842097	195.143	JIHBBLZENFZZOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004788
CCOC(=O)/C=CC1=C(N)C(=O)C1=O	CoCoCo_6950619	195.172	KYCOJKREATVONS-ARJAWSKDSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004789
CCOC(=O)/C=C/C1=C(N)C(=O)C1=O	PC-id_6014162,CoCoCo_6950620	195.172	KYCOJKREATVONS-ONEGZZNKSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004790
O(CC)C(=O)C=CC1=C(N)C(=O)C1=O	PC-id_11840101	195.172	KYCOJKREATVONS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004791
CC(C)C1(C=CC1C(C)(C(C)C)N)C	PC-id_163936061	195.199	RMXFJUIDAWASHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004792
CC(C)(C)CC1(CN=C1)CC(C)(C)C	PC-id_162111146	195.199	ONCSFJQNHVVBGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004793
C1CC(=C1)C(=O)NC(CCC=O)C=O	SCHEMBL11911926,PC-id_88853331	195.215	CEMCFXSTBNHWFR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004794
CCOC1=C(C)C(C1=O)(C#N)OCC	PC-id_101923264	195.215	NXMMCSZMWMQYKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004795
O(C1=C(NCC(=C)C)C(=O)C1=O)CC	PC-id_10420175	195.215	VNROPVFYXOIAHS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004796
CN(/C=C
/C(=C(C1=O)C=[N+](C)C)O)C	SCHEMBL13292200,PC-id_89056457	195.238	MDKPXRDQPQDBSK-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-004797
CC(C1=C(C(=O)C1=O)NC(C)(C)C)C	SCHEMBL19196478	195.258	YGARKJVJRMBFRX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004798
C=CCC1=CCN1C(=O)OC(C)(C)C	PC-id_102227616	195.258	CJYFZDBPEOFZDR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004799
CCC(C1=C(C(=O)C1=O)N(C)C)CC	SCHEMBL17974343,PC-id_122451769	195.258	GYGIEYAHJQDNFI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004800
CCCCCCCNC1=CC(=O)C1=O	PC-id_90982627	195.258	PERNPXMQTQFGBN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004801
CCCCCC(C)NC1=CC(=O)C1=O	PC-id_91593182	195.258	CUOVPTBIOAVHQV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004802
CCCC(N(C1=CC(=O)C1=O)C)(C)C	PC-id_143567171	195.258	NPPAFACYOBKYHI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004803
CCN(C1=C(C(=O)C1=O)C(C)(C)C)C	PC-id_89228578,SCHEMBL14037642	195.258	MDBKSVLKKMLVGQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004804
CC(N(C1=C(C(=O)C1=O)C(C)C)C)C	SCHEMBL13604877,PC-id_57981978	195.258	SDUJVOKLURTBEX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004805
CCCCCCC1=C(N)C(C1=O)(C)C	PC-id_141067807	195.301	NYTOMXUKHDMDAJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004806
CCCN(C1COC1)CCC1=CCC1	SCHEMBL16392462,PC-id_117816814	195.301	XLTWNMFFZPUVEG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004807
NCCCC1C(=C(C1(C)C(=O)C)C)C	SCHEMBL19058574	195.301	GRTSYLBFTYELAZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004808
CCC(/C=C(/NN)C)NCC1CC=C1	PC-id_143706992	195.305	SOJYDFVBFMKOBZ-VQHVLOKHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004809
NC=NCCCCC1NC(=C1C)CC	PC-id_145439388	195.305	QYNISBNVVYJQKS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004810
CCCCC(CC1C=C(C1CC)C)N	PC-id_134479263,SCHEMBL20118010	195.344	JOXRYQUQVDFUCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004811
CCCCC(C(C1=CN(C1)C)C)(C)C	PC-id_143349468	195.344	TUSHWOOFEYIVGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004812
CCCC(NCC1=C(CC1C)C)CC	SCHEMBL20962127,PC-id_138600805	195.344	MJISHIPTQBLNBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004813
CC(N(C1=C(C)C(C1(C)C)(C)C)C)C	SCHEMBL18419732	195.344	KCVMLGVSXHICEW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004814
N1(C(C(=C1C(C)(C)C)C)C)C(C)(C)C	PC-id_21133051	195.344	WHXSMNYDXBDYGE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004815
BrC1=C(Cl)C(=O)C1=O	PC-id_86158254	195.399	NMQZDVBYPIUIPD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004816
[Si]1([Si])([Si])C(O[Si])(C(=C1)C)C	PC-id_85823343	195.45	BHYFKWCGGVBTRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004817
ClS(=O)(=O)N1C(=C(C1=O)C)C	PC-id_24977529	195.624	YTDCZJPQSNTEBN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004818
ClC1C(S(=O)(=O)CCN)C=C1	PC-id_58684185	195.667	ISOSPTDRHFNZSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004819
C1C=CC1(CBr)C(F)F	PC-id_154655374	195.97	HTFOGWSDHXVRHS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004820
C1C=C[C@H]1OI	PC-id_134189221,SCHEMBL19792132	195.986	OHEAQBSEAUULNE-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004821
C1(C(=C(C1(F)F)F)C(=O)O)C(=O)O	PC-id_154237911	195.998	OBHAJCNAXZMJIP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004822
CC1(C(=C(C1(F)F)Cl)C(=O)O)C	PC-id_162101085	196.01	ZEWVAHCUBGDHSG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004823
CCC1=C(C(=O)C1=O)NCCCNC	PC-id_153547820	196.121	YXBPSQMJTDXTMI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004824
CC(C)CCCNC1=C(C(=O)C1=O)N	PC-id_149185189	196.121	XBSWUJDWDYRNFJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004825
CC(C)(C)CCNC1=C(C(=O)C1=O)N	PC-id_164941988	196.121	UMCITVXMRFLBNT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004826
CCCCCN(C)C1=C(C(=O)C1=O)N	PC-id_155281063	196.121	DGPAIRJOBOMPMY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004827
CCCNC1=C(C(=O)C1=O)N(C)CC	PC-id_155278369	196.121	BEWUZVOBEXJVQI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004828
CCN(C)CCCNC1=CC(=O)C1=O	PC-id_153551425	196.121	DNMDRHQVLNZBIB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004829
CCN(C)CCN(C)C1=CC(=O)C1=O	PC-id_153333433	196.121	NJYQSSBKHUCYIQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004830
CCCCC1(C(=CC1=O)OCC)CC	PC-id_154359057	196.146	KNKDHZLHNSRNPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004831
CCCC(C)CC(=O)OCC1CC=C1	PC-id_154330318	196.146	KHAOWWXESNAFJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004832
C=CCCCOC1=C(C(O1)O)C=C=O	PC-id_90715318	196.2	CHZHSPDYGISBEY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004833
CC(=CCC(=O)OC1=CCC1)C(=O)O	SCHEMBL1354110,PC-id_54405152	196.2	VQECTBXRKGGUPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004834
CCOC1=C(C(=O)C1=O)C(C=O)(C)C	PC-id_101639167	196.2	IRLNTKSREGPSLE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004835
C=COC(=O)CC(C1=CCC1)C(=O)O	PC-id_88843050,SCHEMBL11854429	196.2	GFGMWYWFBOTLML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004836
COC(=O)C1=C(C(C1)C=C)C(=O)OC	EMOLS-id_337897241,PC-id_11127181	196.2	MFFIPVCGDAAMPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004837
COC(=O)C1=C(C(=C1C)C)C(=O)OC	PC-id_67763738,SCHEMBL9063074	196.2	DDSPWCWNMSMVMG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004838
COC(=O)C1=C(C[C@H]1C=C)C(=O)OC	PC-id_100993308	196.2	MFFIPVCGDAAMPW-ZCFIWIBFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004839
O(/C(=C/1C(=O)/C(=C(/OC)C)/C1=O)/C)C	PC-id_14200530	196.2	TYHRUIIOKNQMBV-CGXWXWIYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004840
O(C(=O)C(=CC(=O)OC)C1CC=C1)C	PC-id_86160023	196.2	PCBUNDNODBTUCD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004841
CC(=C)CCONC1=C(N)C(=O)C1=O	PC-id_142648872	196.203	BDTRMWCYUUEQME-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004842
CC(=CCONC1=C(N)C(=O)C1=O)C	PC-id_142648878	196.203	QVZRXMIUJXBBJF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004843
C/C(=C/C(=O)OCCOC1=NC=C1)/N	SCHEMBL10767077,PC-id_70438789	196.203	MPWFHJFYENFVNB-SREVYHEPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004844
O(CCOC(=O)C=C(N)C)C1=NC=C1	PC-id_77856207	196.203	MPWFHJFYENFVNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004845
S(C1=C(SC)C(=O)C1(F)F)C	PC-id_12633359	196.238	ZRMSICKVKRPDCJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004846
CC1(C=C(O1)CC(CC=C)C(=O)O)C	SCHEMBL15684097,PC-id_90130609	196.243	VJHFCLWTTMUIRU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004847
CCCCC1=C(C(=O)C1=O)OC(C)C	SCHEMBL8978661,PC-id_10932368	196.243	HKKUKXJOFCQNTD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004848
CCCCCCC1=C(C(=O)C1=O)OC	SCHEMBL3750049,PC-id_59588950	196.243	PQOLHPGIZIPLLX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004849
CCC(C(CC)C)OC1=CC(=O)C1=O	PC-id_57267326,SCHEMBL7399498	196.243	AMZSKLVJLJPSJD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004850
CC(C)OC1=C(C(=O)C1=C)OC(C)C	PC-id_134993860	196.243	CSSJRZKXUWMBHB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004851
CC(OC1=C(C)C(=O)C1(O)C(=C)C)C	PC-id_101072503	196.243	JMGGQZHYZHZDQV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004852
CC(OC1=C(C(=O)C1=O)C(C)(C)C)C	PC-id_11008855,SCHEMBL7259828	196.243	KGZMFHAQUXMDKF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004853
CCOC1=C(C(=O)C1=O)CC(C)(C)C	PC-id_119095075	196.243	JFQNMNIZYKCGPA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004854
CCOC1=C(C(=O)C1=O)C(CC)CC	PC-id_119095076	196.243	RTFUZTRZBBQWBA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004855
O1CC(=C1C(=O)OC)CCC=C(C)C	PC-id_54235838	196.243	QMMZREGRVSHFTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004856
O(C1=C(CC1)C#CC)COCCOC	PC-id_12510932	196.243	HZZRXUHIYFWNJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004857
OC1(C(=C(C(C)C)C1=O)OC)/C=C/C	PC-id_10488115	196.243	LXBAFSUNYASTMQ-AATRIKPKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004858
OC1(C(=C(C(C)C)C1=O)OC)C(=C)C	PC-id_10512083	196.243	RRAQMZXGAMNPAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004859
OC1(C(=C(C(C)C)C1=O)OC)C=CC	PC-id_10535878	196.243	LXBAFSUNYASTMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004860
O(C1=C(CCCCC)C(=O)C1=O)CC	PC-id_10352652	196.243	XBSLMLZPOHMBIZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004861
O(C1=C(CC(C)C)C(=O)C1=O)C(C)C	PC-id_10352648	196.243	LUGSRKTYTCOLGU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004862
O(C1=C(C(=O)C1O)C=C(C)C)C(C)C	PC-id_10559789	196.243	JRHRDTBRHQBVFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004863
O(C(C)(C)C)C1=C(CCC)C(=O)C1=O	PC-id_11019785	196.243	YICGVNJTBHQOLA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004864
O(C(C)(C)C)C1=C(C(C)C)C(=O)C1=O	PC-id_14000146	196.243	DJWSVELWWJKOAS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004865
O(C(CCCC)CC)C1=CC(=O)C1=O	PC-id_57083361	196.243	VSEWHFNYROSHJO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004866
C1(=C(C(=O)C1=O)NCCC)NCCC	ZINC22_100018641,MCULE-3165548406,PC-id_2781289,EMOLS-id_927564,SCHEMBL13918748	196.246	UTZZNRIBRJQNQK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004867
CCCCCNC1=C(C(=O)C1=O)NC	SCHEMBL21230838,PC-id_139376629	196.246	XPQFOLLVMUCALX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004868
CCCCNC1=C(C(=O)C1=O)NCC	PC-id_139376991,SCHEMBL21231244	196.246	CLJJPUPMQZZCOG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004869
CCCCNC1=C(C(=O)C1=O)N(C)C	SCHEMBL18665157	196.246	DKGATDKEURWWMI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004870
CCC(CNC1=C(N)C(=O)C1=O)(C)C	SCHEMBL19035720	196.246	IRPJMQWYPWRLQE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004871
CC(CCN(C1=C(N)C(=O)C1=O)C)C	SCHEMBL21231020,PC-id_139376798	196.246	IQGPWWWMULXXTK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004872
CCC(NC1=C(C(=O)C1=O)NC)(C)C	PC-id_53777057,SCHEMBL12783918	196.246	VAFLJXILIANECO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004873
C[C@@H](C(C)(C)C)NC1=C(N)C(=O)C1=O	PC-id_142180100	196.246	HSSKIKXNYSWCNO-YFKPBYRVSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004874
C[C@H](C(C)(C)C)NC1=C(N)C(=O)C1=O	PC-id_142180534	196.246	HSSKIKXNYSWCNO-RXMQYKEDSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004875
CCNC1=C(C(=O)C1=O)NCC(C)C	PC-id_118041271,SCHEMBL16674371	196.246	IUOWNSMVCVISPZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004876
CCNC1=C(C(=O)C1=O)NC(C)(C)C	SCHEMBL2625576,PC-id_87414399	196.246	RPRHSICQTKVKHD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004877
CCN(C(C1=C(N)C(=O)C1=O)C)CC	PC-id_142659115	196.246	DUJJVYFDKIWXQS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004878
CN(C1=CC(=O)C1=O)CCCCNC	SCHEMBL21230863,PC-id_139376654	196.246	XKPKFPWUIZZZEA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004879
CNCCCCNC1=C(C)C(=O)C1=O	SCHEMBL21230877,PC-id_139376668	196.246	MUJFORJWRXQBTD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004880
CN(CCCNC1=C(C)C(=O)C1=O)C	PC-id_139376640,SCHEMBL21230849	196.246	QHVDMUHHFZVRKM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004881
CNCCCN(C1=C(C)C(=O)C1=O)C	PC-id_139376653,SCHEMBL21230862	196.246	NEKFCYOJHUZPFX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004882
NCCCCN(C1=C(C)C(=O)C1=O)C	PC-id_139376652,SCHEMBL21230861	196.246	GZFKJEXTFCWIGV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004883
O=C1C(=C(N)C1=O)NC(C(C)(C)C)C	PC-id_57056930	196.246	HSSKIKXNYSWCNO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004884
O=C1C(=C(N(C)C)C1=O)N(C(C)C)C	PC-id_20645104	196.246	GNPMGGMTIHNCPA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004885
O=C1C(=C(NC(C)C)C1=O)NC(C)C	PC-id_13508863	196.246	XAAMZKNYWXTPPQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004886
O=C(N(C)C)C1=C(CC1)C(=O)N(C)C	PC-id_85552752	196.246	KUHQTVHPWPQOAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004887
CC(C1=C(O)C(=C1O)C(C)(C)C)(C)C	SCHEMBL13880438,PC-id_89192461	196.286	GUOMKPAAEFYHOI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004888
CCCC1C=C(C1CCC)C(=O)OC	EMOLS-id_337895966	196.286	LIDYRVMLYAAYAF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004889
CCCC1=C(CCC)C(C1)C(=O)OC	EMOLS-id_337902097	196.286	OXMLYYMQWSHBEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004890
CCCC1=C(CCC)[C@H](C1)C(=O)OC	EMOLS-id_337902353	196.286	OXMLYYMQWSHBEC-NSHDSACASA-N	00001100000000000000000000000000000000000000000000000000	06-01-004891
CC(C(CC1CC(=C1)C(=O)O)(C)C)C	SCHEMBL15684411,PC-id_90130901	196.286	NWAUHLNFVJPWJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004892
CCCCCCC1=CC(C1)C(=O)OC	EMOLS-id_337902099	196.286	LPNAOBCUZNCVOK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004893
CCCC(C)C(C1CC=C1)OC(=O)C	PC-id_90730712	196.286	JXPQGJRHSIHSLR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004894
CCCCCCC1=C(CC1=O)OCC	PC-id_102177365	196.286	ZBVPKTSHFVGKRL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004895
CCCCCCC1=C(O)C(C1=O)(C)C	SCHEMBL2983601,PC-id_21919659	196.286	CWGTUZAYSFHWET-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004896
CCCCCCCC(=O)OC1=CCC1	SCHEMBL1025347,PC-id_54544696	196.286	ZFSCZIWQVAHRGD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004897
CCCCC(C(=O)OC1=CCC1)CC	PC-id_53828880,SCHEMBL377295	196.286	GBBBCHTXCBVOSQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004898
CCCCOC1=C(CC)C(=O)C1(C)C	PC-id_21919781,SCHEMBL2979219	196.286	PVNBZNCDHKSAQI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004899
CCOC1=CC(=O)C1(CCC)CCC	PC-id_21919731,SCHEMBL2992372	196.286	RWYPKNBNSFOFJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004900
O1C(=CC1=O)CCCCCCCCC	PC-id_67615083	196.286	QUOGFWKNFDVNEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004901
OC1C(=C(CCCC)C1=O)CCCC	PC-id_15723252	196.286	ZJAPGBPOGYFLHL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004902
O(C1(C(C)C)C(=O)C(=C1)C(C)(C)C)C	PC-id_85677510	196.286	AMWLMFJGOCBZJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004903
OC(=O)C1=C(C(C1)CCCCCC)C	PC-id_22131475	196.286	LKVCSLMBLJKLQC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004904
OC(=O)CCCCCCCC1CC=C1	SCHEMBL15537992,PC-id_72202323	196.286	NQTZBCUPIHIGDC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004905
OC(=O)CCCCCCC[C@H]1CC=C1	SCHEMBL16842693,PC-id_72547767	196.286	NQTZBCUPIHIGDC-LLVKDONJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004906
C1C(=CC=CC=CC2=C=C(C2)C)CC1=C	PC-id_59086640	196.288	KYIDFSDEPVICMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004907
CO[Si](C1=CCC1)(C1=CCC1)OC	PC-id_140148979	196.318	XINPRTWOJNOZNO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004908
CCC1=CC(C1CNCCNC)(C)C	PC-id_91610358	196.332	YULXRVUEROTFPG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004909
C=C=C1C(=C(C1=S)C(C)(C)C)S	SCHEMBL13497307,PC-id_89102373	196.332	ZQXSDLKEGJDBBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004910
CC(C)(C)C1=C([C+](C1=S)C=C)[S-]	PC-id_136446956	196.332	VPKXBQAVQYOTFL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004911
C/C=C(C1=C(CS1)C(C)C)/C(C)C	PC-id_143762659	196.352	UWLGYMGLRYOKIO-POHAHGRESA-N	00001100000000000000000000000000000000000000000000000000	06-01-004912
[Si](C1CC=C1)(CCCCCC)(C)C	PC-id_46919506	196.404	VPWMTICIFJUHSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004913
C[Si](C1=C(C=C1)[Si](C)(C)C)(C)C	PC-id_15822698	196.437	ZYPWYXJGNWFWQO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004914
ClC(=O)C=CC1=C(C(C1)(F)F)F	PC-id_54112376	196.554	NHZQSSIRKAKODD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004915
ClC(=O)C(=C)C1=C(F)C(F)(F)C1	PC-id_20348354	196.554	GFBZKZVSSNLAOX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004916
ClS(=O)(=O)NC1=NC(C1)(C)C	PC-id_55280766	196.655	YHDKWHWLBRLUIN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004917
C/C=C(C1=CC(/C/1=C/Cl)(C)CC)/C	PC-id_101994063	196.716	ZCSCWUPOLBLLEL-WZGGBKBVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004918
C(=C(/C1=C(NC1=O)Cl)Cl)Cl	PC-id_163721510	196.92	KRZTWBJOFFWOGH-UPHRSURJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004919
CCNC1=C(C(=O)C1=S)C(C)(C)C	PC-id_153333377	197.087	MQGYTCQTHMRCEH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004920
CCNC1=C(C(=S)C1=O)C(C)(C)C	PC-id_153547802	197.087	DBWHSWPYDURZJN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004921
CCCNC1=C(C(=O)C1=O)OC(C)C	PC-id_149989725	197.105	CZAFMNNUJXCGPE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004922
CCN(CCOC)C1=C(C(=O)C1=O)C	PC-id_164878345	197.105	KFJXMOYZXPYXSP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004923
N#CC(=C1C(=O)C(=C(C#N)C#N)C1=O)C	SCHEMBL21170513,PC-id_139324112	197.15	BDLMPFAHFFRILG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004924
O(C(=O)C1C(C=C1)C(=O)[O-])CCCC	PC-id_78067377	197.208	LFOWZSCNCUPBRS-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-004925
O(C(=O)[C@H]1[C@H](C=C1)C(=O)[O-])CCCC	PC-id_71412253	197.208	LFOWZSCNCUPBRS-JGVFFNPUSA-M	00001100000000000000000000000000000000000000000000000000	06-01-004926
CCCCNC1=C(C(=O)C1=O)OCC	MCULE-2098585901,PC-id_19064068,SCHEMBL8592976	197.231	BVUBBVMEUMOLKA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004927
CCOC1=C(NC(C)(C)C)C(=O)C1=O	SCHEMBL7598100,EMOLS-id_336485115,PC-id_19082433,MCULE-5334096026	197.231	FVDCFYDEVIRTGE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004928
O(C1=C(N(CC)CC)C(=O)C1=O)CC	PC-id_13761660	197.231	RVXCTSBFIIRWPO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004929
O(CCCC)C1=C(NCC)C(=O)C1=O	PC-id_86187207	197.231	YTMIGPVKIRHNBE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004930
CC1(CC(=C1C=NO)NC(=O)NC)C	PC-id_137186312	197.234	ONUIZPDOSGSTOJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004931
CCCCNC1=C(C(=O)C1=O)N(C)N	PC-id_86293152,SCHEMBL16255511	197.234	IYSQBCDNIIIMCV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004932
CNC1=C(C(=O)C1=O)NCCN(C)C	SCHEMBL19956911,PC-id_134333736	197.234	GARWDVDDPHXSFG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004933
CC(=C)OC1=CC=C1NC(=O)CS	SCHEMBL19676914	197.254	HLYDTNIVZWFBKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004934
C[C@H](OCCC)COCCC1=CC=N1	PC-id_70368073,SCHEMBL10441180	197.274	WMIBFVHIUKQGPP-JTQLQIEISA-N	00001100000000000000000000000000000000000000000000000000	06-01-004935
O(C(COCCC1=CC=N1)C)CCC	PC-id_77833899	197.274	WMIBFVHIUKQGPP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004936
COC1=C(C=C1N)N(CCN(C)C)C	SCHEMBL21017054,PC-id_138648772	197.277	SPRMVDQTTQPPNO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004937
O=C1C(N(C)C)C(=C1N(C)C)N(C)C	PC-id_13139327	197.277	GPSDICGOJCXKIT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004938
N=CC(CC1=CNC1N)(CN(C)C)N	PC-id_143709636	197.281	NJEUTZXQNKGMID-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004939
CC(C)(C)C1=C([C+](C1=S)C=C)S	PC-id_136446957	197.34	VPKXBQAVQYOTFL-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-004940
CC(=C)[C@@H](NC1=CCC1)CCSC	SCHEMBL19046911	197.34	CWGGGYXZNVGHFY-NSHDSACASA-N	00001100000000000000000000000000000000000000000000000000	06-01-004941
CC(C)(C)C1(CC=C1)CO[Si](C)C	PC-id_88623082	197.369	ULYRYKVICIIJSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004942
C1CC1S(=O)(=O)C2C=CN2CC#N	PC-id_153526926	198.046	RLTFIXUHPBDOBA-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-004943
CC1=C(C(=O)C1=S)NCCN(C)C	PC-id_155281138	198.083	UJOISVOWILEXQB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004944
CC1=C(C(=S)C1=O)N(C)CCCN	PC-id_155281021	198.083	RYEOHQAASZLIIF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004945
CC1=C(C(=S)C1=O)NCCCNC	PC-id_155278245	198.083	QYJHDRPKJMQYLP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004946
CCC1=C(C(=O)C1=S)N(C)CCN	PC-id_153547770	198.083	ZVOZJTNLVDHIBB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004947
CCCCNC1=C(C(=O)C1=S)NC	PC-id_155278340	198.083	OCMFZKPXIHPKPF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004948
CCCCNC1=C(C(=S)C1=O)NC	PC-id_155278257	198.083	UUMLPNIADJIUFA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004949
CCCNC1=C(C(=O)C1=S)NCC	PC-id_155278249	198.083	IEJBCVXGLQFEIF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004950
CCCNC1=C(C(=S)C1=O)N(C)C	PC-id_155278255	198.083	KGCJIFCCWAWSSW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004951
CCN(C)CCNC1=CC(=O)C1=S	PC-id_153551490	198.083	BNLUBRLHFRDDEV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004952
CCN(C)CCNC1=CC(=S)C1=O	PC-id_153333322	198.083	IKTUGANIHMBHQI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004953
CN(CCCCN)C1=CC(=O)C1=S	PC-id_153333292	198.083	SCPTWDQBNQVMEK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004954
CNCCCCNC1=CC(=O)C1=S	PC-id_153333373	198.083	WFEDPCXGSVWIEW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004955
CCC1(CC(=C1C(=O)O)C(=O)O)CC	PC-id_154338827	198.089	XPBZSWLZXMLCBN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004956
CC1=C(C(=O)N1)NC(=O)OC(C)(C)C	PC-id_153875594	198.1	CGFVYAAUKCQCNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004957
CC(=O)N=C1C=C(N1O)C(C)(C)CO	PC-id_164181272	198.1	SKTQPFQKUSWZCC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004958
S(=O)(=O)(F)OC1=C(F)C(=O)C1=O	PC-id_71387384	198.102	RWHPIISXOVQYTP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004959
CC(=O)OC1=C(C(=O)C1=O)OC(=O)C	SCHEMBL18392167	198.13	UPSQBRFCOYMTGF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004960
FC1(F)C(=C(F)C1(F)F)CCC=C	PC-id_85723908	198.133	SLGCJOLBTJITHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004961
CCCCNC1=C(C(C1=O)O)NCC	PC-id_155278224	198.137	VHAKXASRCPWREL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004962
CCCCN(C)C1=C(C(C1=O)OC)N	PC-id_155278328	198.137	ZQYKUDOREUBJDJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004963
FC1(F)C(OC)(OC)C(=C1OC)F	PC-id_21731302	198.14	QQYWREWJAHAJHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004964
C1(=C(C(=O)C1=O)N)NCCCC(=O)O	PC-id_10058555,CHEMBL1205735,SCHEMBL9201815	198.176	GAJHFPYRNGGGFX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004965
C
(=NCCC(=O)O)/C(=N/C)/C(=C1O)O	CHEMBL1205732	198.176	PITJYODQSVNXOF-OZDSWYPASA-N	00000100000000000000000000000000000000000000000000000000	06-01-004966
CCOC(=O)C/N=C/1C(=C(O)C1=N)O	CHEMBL358855	198.176	YARHFYUTOVAKFV-KRIGNUICSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004967
CCOC(=O)CNC1=C(N)C(=O)C1=O	PC-id_10035618,SCHEMBL9206669	198.176	NXTPAKSNVIEBTE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004968
CNC1=C(C(=O)C1=O)NCCC(=O)O	PC-id_10035619,SCHEMBL9199631	198.176	ZPXHSVJAPFNZRP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004969
C1(=C(C(=O)C1=O)OC(C)C)OC(C)C	EMOLS-id_499000,PC-id_182314,ZINC22_2545328,TIMTEC257577,MCULE-9530723463,SCHEMBL734610,SPECS-id_AT-225/NB94829	198.216	KCZPGGVPQXQGEJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004970
CCC1CC(=C1C(=O)OC)C(=O)OC	EMOLS-id_337898779	198.216	AZXDVWUGMRAIML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004971
CCC1=CC(C1C(=O)OC)C(=O)OC	EMOLS-id_337902109	198.216	XNGUOKRPBIDGRH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004972
CCC1=COC1C(OC(=O)C(=C)C)O	PC-id_140163397	198.216	WVNKVWRAMNFBGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004973
CCCCCCOC1=C(O)C(=O)C1=O	SCHEMBL10958196,PC-id_20278304	198.216	ZGTUCGXNAWWSBW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004974
CCCCOC(=O)C1=C(CC1)C(=O)O	PC-id_87672135,SCHEMBL4449462	198.216	DEUMWRCNSDMHIY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004975
CC[C@@H]1C=C([C@H]1C(=O)OC)C(=O)OC	PC-id_101770409,EMOLS-id_337895964	198.216	NMQUOHWXPNTEFV-SVRRBLITSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004976
CC[C@H]1C=C([C@H]1C(=O)OC)C(=O)OC	PC-id_101770413,EMOLS-id_337898526	198.216	NMQUOHWXPNTEFV-XPUUQOCRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004977
CC[C@H]1C=C([C@@H]1C(=O)OC)C(=O)OC	PC-id_135080696	198.216	NMQUOHWXPNTEFV-POYBYMJQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004978
CCCOC1=C(C(=O)C1=O)OCCC	PC-id_12555044,SCHEMBL737955	198.216	FTNPSAFLFNGKTL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004979
CC(C(O)(C)C)OC1=C(C)C(=O)C1=O	SCHEMBL19543491	198.216	GACZWGVWYSFMEU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004980
CCOC1=C(C(=O)C1=O)OC(C)(C)C	PC-id_87388860,SCHEMBL2443496	198.216	XXWAGSASLAGDNK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004981
CCOC(=O)C1C=CC1C(=O)OCC	PC-id_101696482	198.216	PNJSXERVPJFWPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004982
CCOC(=O)C1(CC=C1)C(=O)OCC	PC-id_141086689	198.216	GSUHTRJNZLTHOF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004983
CCOC(=O)C1=C(CC1)C(=O)OCC	PC-id_87864801,SCHEMBL5608026	198.216	FERSWMWGOSYRST-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004984
CCOC(=O)C1=CCC1C(=O)OCC	SCHEMBL2345255	198.216	YQFQZWAOUKNCPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004985
CCOC(=O)[C@@H]1C=C[C@@H]1C(=O)OCC	PC-id_101918558	198.216	PNJSXERVPJFWPT-OCAPTIKFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004986
CC(=O)OCC1C=CC1COC(=O)C	SCHEMBL2532363,PC-id_87402030	198.216	CVBOGCVFBJPWIS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004987
CC(=O)OC[C@H]1C=C[C@@H]1COC(=O)C	SCHEMBL2532362	198.216	CVBOGCVFBJPWIS-NXEZZACHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004988
CC(=O)OC[C@@H]1C=C[C@H]1COC(=O)C	SCHEMBL2532368	198.216	CVBOGCVFBJPWIS-UWVGGRQHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004989
COC1=C(OC)C(=O)C1(O)C=C(C)C	PC-id_102153611	198.216	NLFUMMHFNUNQMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004990
COC(=O)C1=C(C(C1)(C)C)C(=O)OC	PC-id_101073581	198.216	XPOWIEBOWITORV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004991
COC(=O)C1C(=CC1(C)C)C(=O)OC	PC-id_15719966,EMOLS-id_337899036	198.216	QKCLOCDVADGIFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004992
COC(=O)[C@@H]1C(=C([C@H]1C(=O)OC)C)C	PC-id_101606551	198.216	FKFVQEFERXIFJQ-HTQZYQBOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004993
COC(=O)[C@H]1C(=C([C@@H]1C(=O)OC)C)C	PC-id_101606552	198.216	FKFVQEFERXIFJQ-YUMQZZPRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004994
OC1(C(C(=C1)OC)C(=O)O)CCC=C	PC-id_10081436	198.216	PDXOZUJZQCKBPJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004995
O(CCCC)C1=C(OCC)C(=O)C1=O	PC-id_71393226	198.216	NZEFKVJHQYTUPN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-004996
O(CCCCCC)C(=O)C1=COC1=O	PC-id_67804383	198.216	QEORVXYMMVSJNN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004997
O(C[C@H]1[C@H](C=C1)COC(=O)C)C(=O)C	PC-id_11041723	198.216	CVBOGCVFBJPWIS-AOOOYVTPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004998
O(C(=O)C1=C(C(C1C)C)C(=O)OC)C	PC-id_15727645	198.216	UNRQWRAPDBLUSN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-004999
O(C(=O)C1C(C=C1)C(=O)O)CCCC	PC-id_73814201	198.216	LFOWZSCNCUPBRS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005000
O(C(=O)[C@H]1[C@H](C=C1)C(=O)O)CCCC	PC-id_21628858	198.216	LFOWZSCNCUPBRS-JGVFFNPUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005001
O=C(OC(=O)C(C)(C)C)OC1=CCC1	PC-id_140380403	198.216	RSVZBVDRHSBZJP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005002
CC1(CC(=C1)C)C(N=O)C(N=O)CO	SCHEMBL18767019	198.219	YWTUJTWOQBBJCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005003
CCCCOC(=O)N1CC(=C1)C(=O)N	PC-id_145788134	198.219	VRMBBBIJORFSEI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005004
CC(CCONC1=C(N)C(=O)C1=O)C	PC-id_142648874	198.219	PRSWFJVEYUPUAT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005005
CNC1=C(C(=O)C1=O)NCCCOC	SCHEMBL19956912,PC-id_134333737	198.219	HAWGPBADUQSNPD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005006
CN(C)CCNC1=C(C(=O)C1=O)OC	SCHEMBL20500863,PC-id_135329747	198.219	YJRXCISTUKREMX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005007
CNCCCN(C1=C(O)C(=O)C1=O)C	PC-id_118245084,SCHEMBL16922067	198.219	ODFIRDUPQRQZSV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005008
CN(CCN(C1=C(O)C(=O)C1=O)C)C	SCHEMBL16921756,PC-id_118244807	198.219	XIPYWKCSBZLYLV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005009
NCCN(C1=C(C(=O)C1=O)OCC)C	PC-id_122365016	198.219	APFZCVJHSVZYFS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005010
O=C1C(=C(NN(C)C)C1=O)NN(C)C	PC-id_13508874	198.222	KFNCUZUZYRPQCU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005011
CNN(C(=O)C1=NC=C1)N(NC)NC	PC-id_68126591,SCHEMBL11769388	198.226	RPDWDRCEALUKSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005012
CCCC1(CC1)OC(=O)C1=CC(C1)F	SCHEMBL1697287,PC-id_87279003	198.234	KJLDVGXFSPQNOJ-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-005013
FC1=CC(C1)(C(=O)OC(C)(C)C)C=C	PC-id_58662881	198.234	GQOVGBANMFFCGA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005014
C/C(=C(/C=NC)F)/NOC[C@@H]1CC=C1	PC-id_118311871	198.237	YVLJDFRQHWXJNX-HYINNTQJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005015
C/C(=C(/C=NC)F)/NOC[C@@H]1CC=C1	SCHEMBL17011502	198.237	YVLJDFRQHWXJNX-DUIFYTFRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005016
CC1(C=C(O1)OC(=C)OC(C)(C)C)C	PC-id_91028106	198.259	QOXNKGJFWYPWSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005017
CCCCOC(=O)C1CC(=C1)COC	EMOLS-id_337902355	198.259	FWADFTSHVAZZFJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005018
C[C@@H](CCC[C@@H]1C=C[C@H]1C(=O)OC)O	PC-id_134862789	198.259	RUFQKTYWXZGVOD-IVZWLZJFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005019
COCC(C[C@H]1CC(=C1)C(=O)O)(C)C	SCHEMBL17756281,PC-id_121340413	198.259	NYYQJZIAAXNMPB-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005020
COCOCC[C@H](CC1=CC(=O)C1)C	PC-id_100947999	198.259	QXRCOIGCAPWGMM-SECBINFHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005021
O(CCC(CC1=CC(=O)C1)C)COC	PC-id_85389508	198.259	QXRCOIGCAPWGMM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005022
O(CC[C@@H](CC1=CC(=O)C1)C)COC	PC-id_11074367	198.259	QXRCOIGCAPWGMM-VIFPVBQESA-N	00001100000000000000000000000000000000000000000000000000	06-01-005023
CC(C1=CCC1)(C(=O)ONCCC)N	SCHEMBL3350140,PC-id_87514159	198.262	CDVPMMLWDMBZNA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005024
CCCNC(C1=CCC1)(C(=O)O)CN	PC-id_87514158,SCHEMBL3350129	198.262	KJAWMNQTRCVWRV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005025
CCOC(=O)NNCC1=C(CC1C)C	SCHEMBL13979725,PC-id_89217335	198.262	HFUCVGDJWLSCSU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005026
[S](=C)C1=C(NCC(C)C)C(=O)C1=O	PC-id_76695248	198.262	YSABKHNSIFCVSE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005027
CC1C(C=C1C#N)CC1C=C(C1C)C#N	SCHEMBL20717702,PC-id_137476612	198.264	IXTDEEIPSXFNIT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005028
CC1CC(=C1)S(=O)(=O)C1=CC(C1)C	PC-id_141000803	198.282	YUWKNHMDNFAFSG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005029
CC1=CC(C1)S(=O)(=O)C1CC(=C1)C	PC-id_141264205	198.282	VVYOMQWAGZCYRC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005030
CCCNC1=C(C(=O)C1=S)N(C)C	SCHEMBL21231164,PC-id_139376922	198.285	TVHUXLCYOFUYRL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005031
CCCNC1=C(C(=S)C1=O)NCC	SCHEMBL21231037,PC-id_139376815	198.285	ZBMMLXXNMJZYPA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005032
CNCCCNC1=C(C)C(=S)C1=O	PC-id_139377019,SCHEMBL21231273	198.285	UFYPOMNYBMHVQO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005033
CNCCN(C1=C(C)C(=O)C1=S)C	PC-id_139376934,SCHEMBL21231176	198.285	MPQOKEDOEQYALV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005034
CNCCN(C1=C(C)C(=S)C1=O)C	PC-id_139377007,SCHEMBL21231261	198.285	VUMDDKCJYWQSJB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005035
NCCCCNC1=C(C)C(=S)C1=O	PC-id_139376804,SCHEMBL21231026	198.285	ZNPHASHMEMEWHG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005036
NCCCN(C1=C(C)C(=S)C1=O)C	SCHEMBL21231274,PC-id_139377020	198.285	XVQOMCBAYBOZBE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005037
[Si](C1=C(OCC)C(=O)C1=O)(C)(C)C	PC-id_86181603	198.291	WEKXMNSXCBJZAD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005038
CCCCC1=C(O)OC1(C)C(C)(C)C	PC-id_101362043	198.302	FAMYZOQRXAMOKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005039
CCCCOC1=C(CC1)OCCCC	SCHEMBL3011707,PC-id_57180364	198.302	HUTPEZPXLBIYGA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005040
CCCCO[C@@H]1C=C[C@@H]1OCCCC	SCHEMBL16254136,PC-id_117710273	198.302	BCOKVXRVUFQTJY-TXEJJXNPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005041
CCOC(OCCCCC1=CCC1)C	PC-id_139263563	198.302	VFKOHQYKZWSIDJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005042
COCC1=C(CC1(C)OC)C(C)(C)C	PC-id_100957878	198.302	JLODPSKDRYGTSQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005043
OC1C(=C(C1O)C(C)(C)C)C(C)(C)C	PC-id_18340840	198.302	RMQBVQDMMBPMQE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005044
OC(C1C(C=C1)CO)CCCCCC	PC-id_85381547	198.302	SVTOEQAYYUHXGG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005045
O[C@H]([C@H]1[C@H](C=C1)CO)CCCCCC	PC-id_11052602	198.302	SVTOEQAYYUHXGG-UTUOFQBUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005046
CC(=C)C1=C(N(C1(C)C)SC)NC	SCHEMBL19832814,PC-id_134225526	198.328	GUMNLDZMBOBNNZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005047
FC(F)(F)C1CC(=C1C(F)(F)F)C	PC-id_15112922	204.113	MXIOWZUTAFUBNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005198
C[N+](C)(C)CC1C=CC1C[N+](C)(C)C	PC-id_134897878	198.348	MLLGBFIFQLDKTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005048
CC(C)[Si](C(C)C)ONC1=CCC1	PC-id_91410430	198.357	PVYHCADHDSNUSV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005049
CC([Si](OCC1CC=C1)(C)C)(C)C	PC-id_23128459,SCHEMBL10516509	198.377	XNMFGZLTKGFMIA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005050
C[SiH](OCC1(CC=C1)C(C)(C)C)C	SCHEMBL10516506	198.377	DOGKOGWFYPUTSI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005051
[Si](CC(CC1=CCC1)CO)(C)(C)C	PC-id_11608105	198.377	TVUYZFCGXIGZPR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005052
[Si](OC1C(=CC1)C(C)(C)C)(C)(C)C	PC-id_14045256	198.377	RVENWIHNSUGZTH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005053
[Si](OC1C(C=C1)C)(C(C)(C)C)(C)C	PC-id_53772624	198.377	DPRXHUMJZOFFHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005054
[Si](OC1(C(C)(C)C)CC=C1)(C)(C)C	PC-id_14045260	198.377	PTLSOHWXVHYRKQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005055
C[Si]([C@H]1C=C[C@@H]1[Si](C)(C)C)(C)C	PC-id_101723586	198.453	ATVCUQXXPLNELO-UWVGGRQHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005056
[Si](C1C([Si](C)(C)C)C=C1)(C)(C)C	PC-id_18763978	198.453	ATVCUQXXPLNELO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005057
[Si](C1=C([Si](C)(C)C)CC1)(C)(C)C	PC-id_18764029	198.453	XWIHVSGGBDTDFY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005058
[Si]([C@@H]1[C@H]([Si](C)(C)C)C=C1)(C)(C)C	PC-id_16664045	198.453	ATVCUQXXPLNELO-AOOOYVTPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005059
ClC1=C(C(C1=O)C(=C)C)CCCC	PC-id_71366834	198.689	PEYWNICGRZVKRG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005060
CC1=C[C@]([C@@H]1C)(C)/N=CN=C(Cl)/C	SCHEMBL18660946	198.693	UIOVBPWEYDWZTC-KORSFGMPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005061
OC1=C(CC[C@H](N)C(=O)O)C(=O)C1=O	PC-id_10774366,SCHEMBL7861203	199.161	PXQGSZRPKPFMJK-BYPYZUCNSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005062
OC1=C(CCC(N)C(=O)O)C(=O)C1=O	PC-id_85263926	199.161	PXQGSZRPKPFMJK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005063
OC(=O)CCC(C1=C(O)C(=O)C1=O)N	PC-id_101774504	199.161	LGGIGPQSOMTOCO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005064
[O-][P+]1=C(CC1CC)CC(=C)C(=O)N	PC-id_141133299	199.187	PMXRAVIBHHADJK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005065
[O-][P+]1=C(CC1CC)CNC(=O)C=C	PC-id_141236889	199.187	HBVZSCJECGAEFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005066
[O-][P+]1=C(CC1C)CN(C(=O)C=C)C	PC-id_141236865	199.187	FYRWPKDRLJVHEE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005067
C1(=O)C(=C(OCC)C1=O)NCCOC	EMOLS-id_323917213,ZINC22_230500307,PC-id_91758124,MCULE-3615366866	199.204	BEHXLJDLSYWZMC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005068
C(CCN)CCOC1=C(C(=O)C1=O)O	PC-id_91516266	199.204	DNKINZDMCGVOPB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005069
CC(C(O)(C)C)NC1=C(O)C(=O)C1=O	SCHEMBL19543488	199.204	SDTWKOIUHXQXNS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005070
COCCCN(C1=C(O)C(=O)C1=O)C	PC-id_118244853,SCHEMBL16921810	199.204	FMNYHRRFZIGVEQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005071
ClC1(Cl)C(=O)C(=C1)CCCCC	PC-id_10420544	207.097	PCIVXIBPDKDASQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005274
O=C1C(=C(C1=O)NCCC(O)(C)C)O	SCHEMBL19546333	199.204	ZMHJDMPIHDSBJJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005072
O(C1=C(NCCCO)C(=O)C1=O)CC	PC-id_14872873	199.204	NFEXNLSGLUEVPJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005073
O=C(C1=NCC1C(=O)O)OC(C)(C)C	SCHEMBL1444625,PC-id_67036313	199.204	HKXVPJJJQXNGIM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005074
O(CCCC)C1=C(NCO)C(=O)C1=O	PC-id_86086611	199.204	MFRZCJPPUSEXQX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005075
O(C(C)(C)C)C1=C(NOC)C(=O)C1=O	PC-id_10608058	199.204	SWFLRYONTMKARL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005076
O(CCCC)C1=C(N(O)C)C(=O)C1=O	PC-id_11708243	199.204	CRCCXEYCPSJPCI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005077
O(C(C)(C)C)C(=O)N1CC(=C1)C(=O)O	PC-id_68326122,SCHEMBL12610885	199.204	FZWIVVLBGORWKW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005078
CN(C)CCN(C1=C(C(=O)C1=O)O)N	PC-id_90063876,SCHEMBL15598139	199.207	SVYADYAZJOWJFZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005079
CNCCCN(C1=C(C(=O)C1=O)O)N	SCHEMBL15597869,PC-id_90063625	199.207	YWUXLFFFUBFFEZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005080
CCCCCCNC1=C(OC1=O)OC	PC-id_145673722	199.247	PGYCPUWAMHKMHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005081
O(C1(OC)C(=CC1=O)NC(C)(C)C)C	PC-id_11229397	199.247	VCNNRXBAHIYVKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005082
O(C1(OC)C(=CC1=O)NC(CC)C)C	PC-id_11344652	199.247	PFJDIIHJVCMHNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005083
O(C(C)(C)C)C(=O)NC1C(C=C1)CO	PC-id_85271987	199.247	PAVCEEJWBVNJPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005084
O(C(C)(C)C)C(=O)N[C@@H]1[C@@H](C=C1)CO	PC-id_10798056	199.247	PAVCEEJWBVNJPW-YUMQZZPRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005085
CC(=C)C(=O)OCCNC1SC=C1	PC-id_140235571	199.27	TUJINPMTLLDGLU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005086
CNC1(O)OC(=C1)C(CC(C)(C)C)C	PC-id_143695729	199.29	WHQYNORCDJHGJK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005087
CC(N(C1=C(F)C(C1(C)C)(C)C)C)C	SCHEMBL18419746	199.308	NHEAKQMLNCOAEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005088
CN[C@H]([C@H]([C@H]([C@H]1C(C)C=C1F)C)C)C	SCHEMBL18386419	199.308	QTXQKRTZMADVHP-NFRQGBJBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005089
C1CC(=C1)CCCCCSCCN	PC-id_88595265,SCHEMBL10335893	199.356	QJWQGSRPIUMOJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005090
CCCCC(C1=CCC1)SCCN	PC-id_88595264,SCHEMBL10335891	199.356	HYZKVVYILBCGKT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005091
CCCCCC1=C(CC1)SCCN	SCHEMBL10335894,PC-id_88595266	199.356	ZJAVMDPIUNZLEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005092
SCCC1=NCC1CCCCCC	PC-id_23270626	199.356	HWHFEFBTCOCRIE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005093
ClC1(Cl)C(=O)C(=C1)CCCl	PC-id_643122	199.462	AZCXVZRXPCRJLR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005094
CCC1C=CN1N/N=C(C=C/C)/Cl	PC-id_134380219,SCHEMBL20009249	199.681	XWQQRLDWXIXLHQ-JZGMVQQJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005095
CC1=[I]CC1F	PC-id_164167858	199.95	ZSRVBSCRYDBMOD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005096
CC1=C(C(=S)C1=S)N(C)CCN	PC-id_164022748	200.044	VAXACDRXSUHSOA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005097
CCCN(C)C1=C(C(=S)C1=S)N	PC-id_155281067	200.044	JKTKSHTUZTVEJE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005098
CNCCN(C)C1=CC(=S)C1=S	PC-id_153547849	200.044	BKDHJRDOQFBMNX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005099
C1=C[N+](C1=O)(CCNCCC(=O)O)[O-]	PC-id_163823507	200.08	NXKZVQBYQWTUJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005100
CCCCNC1=C(C(C1=O)S)NC	PC-id_155278372	200.098	DQAWCLQGJABGNH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005101
CCCNC1=C(C(C1=O)S)NCC	PC-id_155278374	200.098	YFLFTPNDPQLZTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005102
FC1(F)C(F)(F)C(=C1OCC=C)F	PC-id_21731305	200.106	JVWKPZPYUFBDEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005103
OC1=C(C(=O)C1C(=O)OC)C(=O)OC	PC-id_71322984	200.146	XICPMSOXPIUPLF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005104
CCCCC1=C(F)C(C1(F)F)(F)F	PC-id_140001395	200.149	YLSRIVCIAHLJTE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005105
N[C@@H](C/N=C/1C(=C(O)C1=O)O)C(=O)O	CHEMBL336222	200.149	OTLPDVHGPURQPY-CEXOLERCSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005106
OC1=C(NC[C@@H](N)C(=O)O)C(=O)C1=O	PC-id_10703174	200.149	FWFOJMMVKXIRSY-UWTATZPHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005107
OC1=C(NC[C@H](N)C(=O)O)C(=O)C1=O	PC-id_15193162	200.149	FWFOJMMVKXIRSY-REOHCLBHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005108
OC1=C(NCC(N)C(=O)O)C(=O)C1=O	PC-id_53821689	200.149	FWFOJMMVKXIRSY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005109
CCC(C)(C)C1=C(C(C1)ONC)ON	PC-id_163714411	200.152	KMBXCICJSLZXRR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005110
C1CC(=C1)CS(=O)(=O)C(F)(F)F	PC-id_89226912,SCHEMBL14034584	200.179	NXMTUWOBSGTOMO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005111
COCCCN(C1=C(C(=O)C1=O)O)N	PC-id_90063936,SCHEMBL15598200	200.192	SFPOWQGABZFCFZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005112
S(C1=CC(F)(F)C1(F)F)CCC	PC-id_45115833	200.197	CAUBNPDDOVBAKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005113
S(C1(F)C(F)(F)C(=C1)F)CCC	PC-id_45115832	200.197	JGMQECPNXCKGHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005114
CC(C(F)(C)C)NC1=C(N)C(=O)C1=O	PC-id_140997522	200.21	GWJMVOYWVNEYMY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005115
[2H]C(=CC1C(=C(C(=O)OC)C1([2H])[2H])C(=O)OC)[2H]	EMOLS-id_337897241	200.225	MFFIPVCGDAAMPW-QEOHIWEKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005116
CC(OC1=C(C(C1=O)O)OC(C)C)C	SCHEMBL9007866,PC-id_14140287	200.232	VJXXUIAFRBGYMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005117
CCOC1(OCC)CC=C1C(=O)OC	SCHEMBL9470082,PC-id_15000725	200.232	HAFDSUAODJKUIS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005118
OC1(C(C)(C)C)C(=C(OC)C1=O)OC	PC-id_14112421	200.232	YSVKRKCFTRWBSY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005119
OC1(CCCC)C(=C(OC)C1=O)OC	PC-id_15686146	200.232	DDIHPXFYKNDUKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005120
O(C1=C(C(=O)C1CC(O)O)C)C(C)C	SCHEMBL9467257,PC-id_57044850	200.232	CKXZAOZIRDDNED-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005121
O(C1(OC)C(O)(C(=C1OC)C)C=C)C	PC-id_10420320	200.232	RXLRKOLUGFQQIZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005122
OCCCCOC(=O)C1=C[C@H](O1)CC	SCHEMBL20030128	200.232	JMCQABFCJBKXER-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005123
OCCCCOC(=O)C1=CC(O1)CC	SCHEMBL18403683	200.232	JMCQABFCJBKXER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005124
CC(C)CNC1=C(C(=O)C1=O)[S]=O	PC-id_89374990	200.235	PPWURVVMVCQWJO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005125
CC(C)(C)OC(=O)N1CC(=C1)NOC	PC-id_91365856	200.235	LGYTUDWQXBUXCW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005126
CNC1=C(C(=O)C1O)NCCCOC	SCHEMBL19956949,PC-id_134333773	200.235	IHNMQYLFUQPNMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005127
CC1=C(C(C1)(CN)C=N)OCC(F)C	SCHEMBL18266511	200.253	PIKNASFGMFJAOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005128
CCCCCCNC1=C(OC1=[OH+])OC	PC-id_145673721	200.255	PGYCPUWAMHKMHV-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-005129
S(C(C)(C)C)C1=C(OC)C(=O)C1=O	PC-id_13764826	200.255	IAJFMNRTFLHAQN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005130
COCC1=C(C)CC1(OCC)OCC	PC-id_100957881	200.275	JQJSCSZBZXNWRM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005131
COC(=O)C1CC(=C1)O[Si](C)(C)C	EMOLS-id_337901081,PC-id_13992370	200.307	VERVIFINMOESEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005132
CC/C=C(/C(=C/C)/C1C=C(C1=C)C)C=C	PC-id_143756307	200.319	ULDSJXPNGTUIDV-IXGQGZMGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005133
C1(=C(C(=S)/C/1=[N+](/C)C)N(C)C)[S-]	EMOLS-id_313503841,MCULE-6736253244,PC-id_12226882	200.324	FWNSJCWXDDLGNE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005134
C1(=C(C(=S)C1=S)N(C)C)N(C)C	MCULE-3735874247,ZINC22_103904365,EMOLS-id_50000830,PC-id_12246055	200.324	HBKAUEVQEUTNPY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005135
ClOC(=O)C1=NC(=C1Cl)Cl	PC-id_142696830	200.407	ZMUVAZUTPBTNSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005136
ClC1(F)C(F)(F)C=C1C(=O)OC	PC-id_14984520	200.543	ROGWARQNNATTQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005137
C=CC(C1=CC(C1(F)F)(F)Cl)F	SCHEMBL1077307,PC-id_87196325	200.561	COIWXLRCJMCUOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005138
ClC1=C(OCCC(=C)C)C(=O)C1=O	PC-id_85621906	200.619	GLAUOUCAISVGTA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005139
ClC(CC(C)(C)C)CCC1CC=C1	SCHEMBL18923143	200.748	YFHCOHFWUFICDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005140
C1=NC(C1=[Sn])C=O	PC-id_153408980	200.924	MQLMHNKJKSXBFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005141
C
C=C/C1=C/NC(=O)CBr	PC-id_163851883	200.979	OVBJHYKSUJEQRH-WAYWQWQTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005142
CC1[C@@H](C=C1N)[C@H](C)[C@@H](C)[C@@H](C)Cl	PC-id_163593880	201.128	GRUDHTCVRYRQLP-YXSGMSCASA-N	00001100000000000000000000000000000000000000000000000000	06-01-005143
FC1=CN(C1=O)C(=O)NC(=O)NCC	PC-id_94067	201.155	UWHRTOIXQSCOLH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005144
FC(S(=O)(=O)NC1=CCC1)(F)F	PC-id_140146498	201.167	UNSMGQYKALSSNT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005145
C1=C(C(=N)O1)SSC1=COC1=O	PC-id_88776817,SCHEMBL11417730	201.223	WPAAKRJRECUSPQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005146
CC(CC(NC1=CC(C1O)O)(C)C)O	PC-id_141190035	201.263	OHLSBZUJYKODHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005147
CN(C)C1=C(S)C(=[N+](C)C)C1=S	PC-id_12246061,ZINC22_103904372	201.332	FWNSJCWXDDLGNE-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-005148
CCCCCNC1=C(Cl)C(=O)C1=O	SCHEMBL10339830,PC-id_88596349	201.65	ICDQIFPYFQFUIG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005149
C1C[I](=C1)(O)O	PC-id_88903174,SCHEMBL12318504	201.991	GSRZGHRPPRXNGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005150
FC1(F)C(F)(F)C(=C1OC(=O)C)F	PC-id_23264333	202.079	DEPIGFQFBZIIPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005151
CC(OC1=C(F)C(C1(F)F)(F)F)C	PC-id_19911061,SCHEMBL9319732	202.122	BHKJCVDWIKPBAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005152
FC(S(=O)(=O)OC1=CCC1)(F)F	PC-id_59552167,SCHEMBL12893294	202.152	KBFGDUPKJJQMLS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005153
C(COC1=C(C(=O)C1=O)OCCO)O	PC-id_134978140	202.161	MVZFVOVVQWUEMW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005154
O(OCC)C1=C(OOCC)C(=O)C1=O	PC-id_53794946	202.161	FEKORDLSSSNKPH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005155
O([C@@]1([C@](OC)(C(=C1NO)N=O)C)C)C	PC-id_21724203	202.208	XNPIRRCQMYQIGE-JGVFFNPUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005156
O([C@@]1([C@@](OC)(C(=C1NO)N=O)C)C)C	PC-id_21724204	202.208	XNPIRRCQMYQIGE-YUMQZZPRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005157
O(C1(C(OC)(C(=C1NO)N=O)C)C)C	PC-id_73830855	202.208	XNPIRRCQMYQIGE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005158
CC(OC1=C(C(C1O)O)OC(C)C)C	PC-id_139974660	202.248	IIHBTYPXDYFSRT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005159
COC(C1C=CC1C(OC)OC)OC	PC-id_91697174	202.248	WLMVNRIJEZTRAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005160
C=N/C=CC(=C/C)NC1=C(C)C(=O)C1=C	PC-id_143748154	202.252	WRTQZLVHAXMOAI-JQEGGOPCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005161
[Si](OC)(OC)(OC)CCC1OC#C1	PC-id_59936766	202.28	WTAZNUUFJQBTMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005162
CCOC1=C(OCC)C(=S)C1=S	PC-id_101689620	202.294	FKGFCCBXURGYLK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005163
S(C1=C(SCC)C(=O)C1=O)CC	PC-id_71365635	202.294	JCFWMRYSPGBOSE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005164
CCCCP1(C=C)C=CC1SC	SCHEMBL19392465	202.297	NXSKGOGUPMFLOD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005165
CCCC=C(C)C#CC(C)CC1CC=C1	PC-id_91351563	202.335	QREOQKOQVOEJOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005166
CC1=C(NCCCN)C(C1=S)S	SCHEMBL21230913,PC-id_139376703	202.34	IPGAJBHVAAFBPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005167
CCCCC1=C(S)C(=S)C1=S	PC-id_59755453,SCHEMBL12432489	202.36	GXHHKJYHNGJYLF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005168
C1(C(=C(N1Cl)C(=O)O)Cl)Cl	PC-id_88625477	202.423	GFHPXEBLORPBPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005169
ClC1=C(OCC(C)(C)C)C(=O)C1=O	PC-id_12555049	202.635	LPVSIPLCYWPRMM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005170
ClC1=C(OC)C(O)(CC(=C)C)C1=O	PC-id_10241966	202.635	AZLDIKGWDXGBBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005171
ClC1=C(OC)C(O)(C(C)C=C)C1=O	PC-id_10330497	202.635	VMGDCHOXGVPEQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005172
CC(=O)OC1=C(C(C1(C)C)(C)C)Cl	PC-id_134892736	202.678	CLRURTCKZZMBEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005173
CCOC1C(=C(C1(F)F)Cl)Cl	PC-id_119098784	203.014	IXRPWHQFJDQKKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005174
C(C[P+](=O)O)NC1=C(C(=O)C1=O)N	PC-id_153877913	203.022	LBPNYTGWCNERBJ-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-005175
BrCCC1=C(C(=O)C1=O)C	PC-id_10081590	203.033	XPETUPZUKVTKTB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005176
NC(=O)C(=N)C1CC=C1Br	SCHEMBL19176474	203.037	WEZYQWBVDVIYHM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005177
ClC1(Cl)C(=CC1=O)CCCC#C	PC-id_10397962	203.065	HIEWAMJKJRHIQX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005178
ClC1(Cl)C(=O)C(=C1)CCCC#C	PC-id_9990446	203.065	UEXKRLFHHMGHOS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005179
C=CCC(C1=C(CC1)Br)O	PC-id_134839066	203.076	ARQNZGZKDRIIKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005180
CC(C)(C)OC(NCC1C=CS1)O	PC-id_163766132	203.098	MCKUJUFYLPWFJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005181
ClC1=C(CC1)CCC1=C(CC1)Cl	PC-id_102045041	203.108	NNSOLSJQYWECDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005182
Br[C@@H]1CC(=C1C)C(C)(C)C	SCHEMBL18912562	203.119	GRIKSRQQGDBCRL-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005183
O=C(N)C1(C(C(C)C)C(=C1C)C#N)C#N	PC-id_10679661	203.24	JHDRLDJSXCIGNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005184
CC(CNC1=C(C(=O)C1=O)S(=O)[3H])C	SCHEMBL14597292	203.251	SEWBVBBECMWGKY-IYFSJMEXSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005185
S(=C)(C1=C(N(CC(C)C)[3H])C(=O)C1=O)[3H]	PC-id_57981968	203.286	IVQWNHRZIBPTDS-VIECMVKISA-N	00000100000000000000000000000000000000000000000000000000	06-01-005186
C/C=CC(=C/C)CCCC1=C(C)N=C1C	PC-id_144523754	203.323	GQXQHAMPCICRCZ-PVZSKWTFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005187
ClC1=C(N(CC)CC)C(O)(C1=O)C	PC-id_12614355	203.666	PFVQRGROPUXTSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005188
ClC1=C(N[Si](C)(C)C)C(=O)C1=O	PC-id_86138870	203.698	RSKZPBCZWSKWAE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005189
C1=C=C=C1CCI	SCHEMBL13178542,PC-id_89029625	204.008	BTGJGSSBVJCRAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005190
BrC1=C(N=C1CC)C(=O)O	SCHEMBL9056058,PC-id_21614161	204.021	NEOPUFNNGVUOQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005191
CC1=C(C(C1(F)F)(C)C(F)(F)F)F	PC-id_163851315	204.037	ADFQETHRKTXPQS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005192
CC1=C(C(C1(F)F)(C)F)C(F)(F)F	PC-id_163851316	204.037	AAOVINYMEDVGHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005193
CCC1CC(=C1CC)OP(=O)([O-])[O-]	PC-id_154078099	204.056	SKNQFGBGKLDDBD-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-005194
CCCC1=C(CC1C)OP(=O)([O-])[O-]	PC-id_154078097	204.056	ATACKSKITWJKCO-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-005195
CCCCC1=C(CC1)OP(=O)([O-])[O-]	PC-id_154078098	204.056	VRJVLWBGNQAAKL-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-005196
CC(C)(C)S[N+]1=C(C[C@@H]1C(=O)O)O	PC-id_163562559	204.069	FSMFDDGQDSEYEQ-RXMQYKEDSA-O	00001100000000000000000000000000000000000000000000000000	06-01-005197
OC(C(=O)OC1SC=C1)CC(=O)O	PC-id_140071483	204.2	RFDXLKPRUYNWEW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005199
CC=CC=C(C=C)NC1=C(C(=O)C1=O)N	PC-id_89502759	204.225	QCWYGBZUQIXWBS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005200
C/C=CC=C(NC1=C(N)C(=O)C1=O)/C=C	SCHEMBL14865061	204.225	QCWYGBZUQIXWBS-AIJKMKQJSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005201
O=C(C1=CCC1)CCCC(=O)C1=CCC1	PC-id_13264942	204.265	ZRLJLUVUPPNNMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005202
CNC1=CN(C1)CCS(=O)(=O)CC	PC-id_144950505	204.29	DMFFEGDSXAVWBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005203
OC(C(CC=C)(C)C)C#CC1=C(CC1)C	PC-id_14379157	204.308	BJBNDMSFXXLYTD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005204
C1(=CCC1)/C(=C(/CCC)CC=C)/CCC	PC-id_11138217	204.351	VCYHSVMJMFMQJS-FYWRMAATSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005205
C1(=CCC1)C(=C(CCC)CC=C)CCC	PC-id_85412418	204.351	VCYHSVMJMFMQJS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005206
C(C1=CC1)(C1=CCC1)CCCCCCC	PC-id_54265611	204.351	TYICPFXQSGQELJ-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-005207
[SiH3]O[C@@]1(C)C(=C[Si]1([SiH3])[SiH3])C	PC-id_101129880	204.522	MOVVSGXOMXQECJ-RXMQYKEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005208
[SiH3]O[Si@@]1([SiH3])C=C([C@@]1(C)[SiH3])C	PC-id_101129881	204.522	WYBOQOHYMZAZLD-XUOSJQGZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005209
[SiH3]O[Si@]1([SiH3])C=C([C@]1(C)[SiH3])C	PC-id_101129882	204.522	WYBOQOHYMZAZLD-FWOIEVBISA-N	00001100000000000000000000000000000000000000000000000000	06-01-005210
[SiH3]O[Si@@]1([SiH3])C=C([C@]1(C)[SiH3])C	PC-id_101129883	204.522	WYBOQOHYMZAZLD-GPXNAGAYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005211
[SiH3]O[Si@]1([SiH3])C=C([C@@]1(C)[SiH3])C	PC-id_101129884	204.522	WYBOQOHYMZAZLD-RRAGMBSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005212
ClC1=C(OCC)C(F)(F)C1(F)F	PC-id_533798	204.55	LRYDSFWJULJZLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005213
BrC1=CC(C1(F)F)(F)F	PC-id_119095767	204.948	BKUBUNBZLYPIDR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005214
BrC1(F)C(F)(F)C(=C1)F	SCHEMBL11437237,PC-id_54293244	204.948	RYZSIQNOJDTXIU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005215
BrC1=C(CC1)C(=O)OCC	SCHEMBL4671441,PC-id_54538492	205.049	ZBLNLNPBYRAUOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005216
CCOC(=O)C1(Br)CC=C1	PC-id_87711721,SCHEMBL4671444	205.049	VBVCZLQOLQKMNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005217
C1(=C(C(/C/1=C([C+](F)F)/F)(F)F)F)F	PC-id_135469316	205.053	RGDIDIIFRFQPFW-HNQUOIGGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005218
C1(=C(C(/C/1=C(/[C+](F)F)F)(F)F)F)F	PC-id_135723238	205.053	RGDIDIIFRFQPFW-IWQZZHSRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005219
FC1(F)C(=C(F)[C+]1F)C(=C(F)F)F	PC-id_10466181	205.053	RGDIDIIFRFQPFW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005220
CSNC1=C([C@@H](C1)[C@H](C(N)N)O)O	PC-id_163766256	205.088	MCNMSULOLMYSBO-AWFVSMACSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005221
C=CC[N+]1(CC=C)C=CC1(Cl)Cl	PC-id_69500250,SCHEMBL5593358	205.104	OVJJMNCRDBIJAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005222
CC(C)(C)C1=C([C-]=N1)C(=O)/C=C/N(C)C	PC-id_153920231	205.135	XJVCXEZLRZOHPQ-VOTSOKGWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005223
CC1C=CC1CC2C=C(C2C)NC(=O)C	PC-id_154955063	205.147	DUDDQMXGPXWRTC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005224
C/C=C(/CCC1=NCC1)C(=CCC=C)O	PC-id_163738363	205.147	LFPZRILKSPRLIT-WJPAJAJASA-N	00001100000000000000000000000000000000000000000000000000	06-01-005225
CCCN(C)C1(C=CC1C(=C)C=C)CC	PC-id_155197256	205.183	XUMIHUSADXCPCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005226
CCOP(=O)(C1=C(CC1)N)OCC	PC-id_145997423	205.191	MJBXCSFIVRNYEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005227
CC/N=CC=C(C1=C(O)C(=O)C1=O)/C=C	SCHEMBL18677148	205.21	MIXNGLNBSSXXPP-AJBKOCBKSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005228
CCN=C/C=C(C=C)/C1=C(C(=O)C1=O)O	PC-id_137067681	205.21	MIXNGLNBSSXXPP-HLALVOQGSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005229
FC(C(CCC1=C=C(N1C)C)(F)C)F	SCHEMBL19311259	205.22	WJRBXYJFRKQKRM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005230
CC(=CC=CC1=NC=C1)C1CC1C(O)O	PC-id_90961993	205.253	UUEAVAHPSPILPH-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-005231
O=C1C(=C(CCCC#N)C1=O)C(C)(C)C	PC-id_85673618	205.253	UPBHXMNMTFYGLJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005232
CC(CN(C1=C(C(=O)C1=O)S(=O)[3H])[3H])C	SCHEMBL7856703,PC-id_57982003	205.259	SEWBVBBECMWGKY-VIECMVKISA-N	00000100000000000000000000000000000000000000000000000000	06-01-005233
C#C[C@H]1C=C([C@@]1(C)C(O)C)N(C(=C)C)C	SCHEMBL18509474	205.296	WPMORZVRBGEOEZ-KUNJKIHDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005234
ClC1(F)C(=C(C1=O)C)N(CC)CC	PC-id_12614352	205.657	INQDJQSJXNLGLN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005235
ClC1(C(=O)C(=C1Cl)Cl)Cl	PC-id_18545,NSC125696,SCHEMBL7620046,CoCoCo_5453495,MCULE-6276922376,ZINC22_1714724,LI_139517	205.854	NWDONRNKYCKRNT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005236
C1=C(C(C1(Cl)Cl)(Cl)Cl)O	PC-id_150612392	205.886	UDJZKLMBMXCQJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005237
CC1=C=C(C1)CI	PC-id_118606054,SCHEMBL17371028	206.024	DMYMJTYVERMUIH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005238
CC1=C(C(=C)C1)I	PC-id_122683414,SCHEMBL18220944	206.024	XZGHYOUIAGSBLV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005239
IC1=C(C=C1C)C	PC-id_68239005,SCHEMBL12317817	206.024	LVDYWQFOMVGRDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005240
C1=C(C(C1(F)F)(F)F)P(=O)(O)O	PC-id_87905177,SCHEMBL5883367	206.032	VZWOHDIZQFXTFJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005241
OC(C[C@]1(F)C(=C(C1(F)F)F)F)F	PC-id_102046998	206.086	GKBONUHDXNTJNL-CAMSLDKSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005242
NC1=C(NCP(=O)(O)O)C(=O)C1=O	SCHEMBL9204329,CHEMBL142917,PC-id_10352924	206.093	BTBQNZRXIUBLBR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005243
O=C(OC1=CC=C1)CC(=O)C(F)(F)F	PC-id_102266505	206.119	ZNUBXVOLKCMFLO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005244
[Na+].C1(=C(C(=O)C1=O)N)NCCC(=O)[O-]	CHEMBL358131	206.131	GRTMXCDMDNEECQ-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-005245
CC(C)(C)C1=NC=C1C(=O)/C=C/N(C)C	PC-id_153920232	206.142	LLGWSYOUNABZDS-VOTSOKGWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005246
CC1(C)C(=CC1(C)C)OP(=O)(O)O	PC-id_140121149	206.176	RKHNZFHETAYXAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005247
CCC1CC(=C1CC)OP(=O)(O)O	SCHEMBL2149853,PC-id_87344177	206.176	SKNQFGBGKLDDBD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005248
CCCC1=C(CC1C)OP(=O)(O)O	PC-id_87344094,SCHEMBL2149590	206.176	ATACKSKITWJKCO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005249
CCC(C1=C(CC1)OP(=O)(O)O)C	SCHEMBL2149594,PC-id_87344096	206.176	KGROGLRLZVXWBN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005250
CCCCC1=C(CC1)OP(=O)(O)O	SCHEMBL2149608,PC-id_87344104	206.176	VRJVLWBGNQAAKL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005251
S1(=O)(=O)CC(=C1)OCC(=O)OCC	PC-id_12331997	206.216	NYNZQEWGQJUGOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005252
C1CC(=C1)CC(=O)OC(=O)CC1=CCC1	SCHEMBL15020942,PC-id_89621065	206.238	XMIVYMOYUDWASN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005253
CC1=C(CC1)C(=O)OC(=O)C1=C(CC1)C	PC-id_87195704	206.238	RFJCNMJNEPHMPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005254
CCOC1=C(C(=O)C1=O)C#CC(C)(C)C	PC-id_142659128	206.238	PREMTHILZQFTBF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005255
OC1(C(=C(C1=O)C=C(C)C)CCC=C)C	PC-id_10632112	206.281	VLTBVOADCYVPKL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005256
O(C1C(=C(C1=O)C=C(C)C)CCC=C)C	PC-id_10798326	206.281	YYYACKINJGNGNJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005257
O=S(=O)(C1SC=C1)C1SC=C1	PC-id_139720505	206.306	RLKXTFWBNBRBRU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005258
CCCCC1=C(C(=O)C1C=C)CCCC	PC-id_134895753	206.324	BSDAPBLWFOEKET-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005259
O=C(C1=CC(C(CCC=C(C)C)C)C1)C	PC-id_85602941	206.324	XFKLHDFTZDYARJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005260
CC/C=CC(C)(C)C(CN=C)C1=CNC1	PC-id_134581770	206.327	LPIPZHBIQCSIDS-SREVYHEPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005261
CC/C=CC([C@H](C1=CNC1)CN=C)(C)C	SCHEMBL20233660	206.327	LPIPZHBIQCSIDS-DGMVEKRQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005262
C1(CC(=C1CC)CCCCCCC=C)C	PC-id_57323098	206.367	WEYQTCVXXZFIPH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005263
CCCCCCC1=C(CC1)CCCC=C	PC-id_91076668	206.367	ABTKWZPTYGQNBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005264
CCCCCC(CCC1=CC(=C1)CC)C	PC-id_143682768	206.367	UGMUNRPOHKBOKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005265
CC(CCCC/C(=CCC1CC=C1)/C)C	PC-id_143717634	206.367	HOIMTBHLXJUNED-KAMYIIQDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005266
CSC1=C(Cl)C(C1(F)F)(F)F	PC-id_119097169	206.589	JIIJAVRVPZMFJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005267
Cl.C
(=N/CCCN)/C(=C(C1=O)O)O	CHEMBL337755	206.627	ZBNXWCVJPBLODV-JOKMOOFLSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005268
IC1(CC=C1)C=N	SCHEMBL19524002	207.012	NPJRFLWLSVVMLI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005269
ClC1=C(Cl)C(=O)C1(O)C(C)C=C	PC-id_10081749	207.054	YAYKEHYNTRLWAL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005270
ClC1=C(Cl)C(=O)C1(O)CC(=C)C	PC-id_10104455	207.054	YPFMOZGJHFTHBH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005271
C/C=C/C/C(=CC)/NC1=C(C(=O)C1=O)O	PC-id_164051204	207.09	VYRJZPSZJJRKGW-HJIKTHEYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005272
CCCCCC1=CC(=O)C1(Cl)Cl	NSC678503,ZINC22_1647302,PC-id_386477,CoCoCo_5745898	207.097	ZBKIZLWSUASELA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005273
CN(C)CCCC1=CN=C1C(=O)NC=C	PC-id_163876488	207.137	PPIKDNMPVUPOTR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005275
CCCCCCC1CC(=C1OCC)C#N	PC-id_154356240	207.162	SIBUSLIORKCGMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005276
CCCCCCCCOC1=C(CC1)C#N	PC-id_162137471	207.162	NUBPMXUESDFQGP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005277
Cl[Si]1(Cl)C(C(=C1C)C=C)CC	PC-id_53677770	207.172	BEKJTUMCBYSJHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005278
C(C1CO1)OC(=O)C1=COC1C=CC#N	PC-id_54003561,SCHEMBL7904408	207.183	KNHJLLJKHVZZSI-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-005279
O1C(CC2(OC=C2C(=O)O)C=CC#N)C1	PC-id_53695423,SCHEMBL8646242	207.183	BQESYSPDKVSCSI-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-005280
CC(=C)CCOC1=C(C(=O)C1=O)N=[N+]=[N-]	PC-id_134893264	207.186	KBOITGDYRZPUDO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005281
N#CC(C1CC(=C1)C#N)(C(C#N)C#N)C#N	PC-id_85878448	207.191	VMLIUVKPSYCLSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005282
CCCC1C=CC1CCNC2CC(C2)C	PC-id_154966936	207.199	QYKRTJWTLBYIMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005283
CCCC(C)/C(=CC)/CC1C(=C(N1)C)C	PC-id_155188165	207.199	IDDNUCBSRIKHAR-QPEQYQDCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005284
CCCN(C)C1(C=CC1(CC)C=C)CC	PC-id_155197284	207.199	OGMLDEOXAYSGHY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005285
O(C1(C(=C(OCC)C1=O)C=C)C#N)CC	PC-id_15185512	207.226	OHFIHZJMZOAKJP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005286
C=CC(C1=C(C(=O)C1=O)N(CC)CC)C	PC-id_101639148	207.269	JHJPDRZLQRGYLK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005287
CC#CCC1=CCN1C(=O)OC(C)(C)C	PC-id_134949571	207.269	VHCNJROVEPEMAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005288
CCN(C1=C(C(=O)C1=O)CC(=C)C)CC	PC-id_101639147	207.269	YHOXSEMENUWWTE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005289
CCOC(=O)/C=C/C1=CN=C1C(C)(C)C	PC-id_138690108,SCHEMBL21063824	207.269	GTBDSDCRMVTUOG-VOTSOKGWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005290
CCOC(=O)C=CC1=CN=C1C(C)(C)C	PC-id_138690109,SCHEMBL21063825	207.269	GTBDSDCRMVTUOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005291
CCCCCCCCC(=O)CC1=NC=C1	PC-id_90893996	207.312	JXILSGLNPCYJQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005292
O=C1C(C(=C1C)N(CC)CC)(C)C=CC	PC-id_85918657	207.312	XPBSNHJAHSYOPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005293
CC/C=CC(CCC1=C(C=N1)N(C)C)N	PC-id_135136326,SCHEMBL20282795	207.315	DWOFVFBLWAAAKB-WAYWQWQTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005294
CCCCCCCCC1=C(N)C(=N)C1=N	PC-id_59755509,SCHEMBL12432567	207.315	RXZZBMUVOYJORZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005295
S(C1=NCC1O)C(=S)SCC	PC-id_54198061	207.337	PNGORAIUTDDPSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005296
CCC1=CCC1CCNCCC1CCC1	SCHEMBL14528839,PC-id_71192890	207.355	MCTZRWYABQITTP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005297
C/C=CNC1=C(CC1)CC(CC(C)C)C	SCHEMBL20978840,PC-id_138614913	207.355	ITPOCIZMFKOQDM-YVMONPNESA-N	00001100000000000000000000000000000000000000000000000000	06-01-005298
CN(CCC/C=CC1=C(C(C1)(C)C)C)C	SCHEMBL19724991	207.355	QWTGHVAMSAJIRN-CLFYSBASSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005299
ClOC(=O)C1=C(C(=C)C1=C)C(=C)C#N	PC-id_141604042	207.613	UVQKGLFYULCYMY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005300
CC(C1=NC=C1S(=O)(=O)Cl)(C)C	PC-id_137526869,SCHEMBL20773928	207.678	UVUJXORZQLYJAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005301
C1=C(C(=C1)OC(=O)Cl)OC(=O)Cl	PC-id_163773571	207.933	MILYJFMLDAFOTH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005302
CC1(C(=C(C1(C(F)(F)F)F)F)F)F	PC-id_163851313	208.012	OCKHJRUJNZMWLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005303
CC1(C(=C(C1(F)F)F)C(F)(F)F)F	PC-id_163851314	208.012	GPPQGBFGHLYDGM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005304
CC1(C(=C(C1(F)F)F)F)C(F)(F)F	PC-id_163851312	208.012	KYWBBLCOIOBUTJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005305
CC1C=CC1CI	PC-id_88871390	208.04	JHBJWMLTMJKRRF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005306
CC1=C(CC1C)I	SCHEMBL13744429,PC-id_70985458	208.04	HETRGHAGICCNPP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005307
CC1C=CC1(C)I	SCHEMBL13893629,PC-id_89196574	208.04	ALDKJVOCKKBIMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005308
CCC1=CCC1I	SCHEMBL14559848,PC-id_89370349	208.04	VZLBZZZSIMIRDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005309
C[C@H]1C=C[C@H]1CI	SCHEMBL12046209	208.04	JHBJWMLTMJKRRF-WDSKDSINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005310
IC1=C(CC1)CC	PC-id_15587832	208.04	PJFVUUHALOGBJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005311
IC1=C(CC1C)C	PC-id_85723035	208.04	SVBVAELAVDKTEE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005312
CC1=C(C(C1(F)F)(F)F)C(F)(F)F	PC-id_87084191,SCHEMBL250985	208.077	OMOALXHOUGOCTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005313
CC(C1=C(C(C1(F)F)(F)F)F)(F)F	SCHEMBL251903,PC-id_87084374	208.077	VZCAIIKGFQHCPJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005314
CC1C=CC1CC2C(C(=C2[N+](=O)[O-])N)C	PC-id_154955370	208.121	NZNXOUFLOMRJHR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005315
C(#N)C(=C1C(=O)C(=C(C#N)C#N)C1=O)C#N	SCHEMBL12511134,PC-id_88927954	208.133	NQYKYRXUMYUGKE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005316
[N-]=C=C(C1=C(C(=O)C1=O)C(=C=[N-])C#N)C#N	PC-id_102384505	208.133	MHCUNQJRAGRBOQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005317
[N-]=C=C(C1=C([O-])C(=C(C#N)C#N)C1=O)C#N	PC-id_102384508	208.133	BGGNOXWRCUNVII-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-005318
N#CC(=C1C(=O)C(=C(C#N)[N+]#[C-])C1=O)[N+]#[C-]	SCHEMBL12433538	208.133	DSZDHMHLZPXVFT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005319
N#CC(=C1C(=O)C(=O)C1=C(C#N)C#N)C#N	PC-id_71370764,SCHEMBL12511133	208.133	DRPFWYGSVPLKSD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005320
N#C/C(=C
/C(=O)C(=O)/C1=C(C#N)/[N+]#[C-])/[N+]#[C-]	PC-id_58556008,SCHEMBL12433537	208.133	ZRMBBCIQNFEGKG-CGXWXWIYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005321
O=C1C(=C([N+]#[C-])C#N)C(=C([N+]#[C-])C#N)C1=O	PC-id_76828554	208.133	ZRMBBCIQNFEGKG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005322
O=C1/C(=C(/[N+]#[C-])C#N)/C(=O)/C/1=C(/[N+]#[C-])C#N	PC-id_58555997	208.133	DSZDHMHLZPXVFT-CGXWXWIYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005323
CNC1=C(C(=O)C1=O)NCC(F)(F)F	SCHEMBL19956892,PC-id_134333720	208.138	HSWNCUUEBAVJSX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005324
CCCCC1=C(C(C1=O)CC)C=COC	PC-id_160310717	208.146	PUFKROXITMVSQJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005325
CCCCC1(C(=CC1=O)C=COC)CC	PC-id_154303212	208.146	QUBJYVGFPHBDIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005326
CN(C)CCCCN(C)C1=CC(=C)C1=O	PC-id_153333439	208.158	LTSMGQSMSQWDGS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005327
CC1=C(C(=C(C#N)C#N)C1=C(C#N)C#N)O	SCHEMBL14300900,PC-id_89297785	208.176	RZFCZJSAAPQZDE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005328
CC1=C(C(=C(C#N)C#N)C1=O)C(C#N)[N+]#[C-]	PC-id_91512281	208.176	HGBVJWCYDMCRRL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005329
OC1=C(/C(=C([N+]#[C-])/C#N)/C1=C(C#N)C#N)C	PC-id_59875833	208.176	KHGKPHUVQJVDOW-CMDGGOBGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005330
OC1=C(C(=C([N+]#[C-])C#N)C1=C(C#N)C#N)C	PC-id_72585069	208.176	KHGKPHUVQJVDOW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005331
NCC(=N)C1CC=C1OCC(F)(F)F	SCHEMBL18266506	208.181	LLYNQSZOHMESMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005332
O(C1(C(=C(OC)C1=O)OC)C#C)CC=C	PC-id_85574306	208.211	ZBURFCDNTRACDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005333
O(C(C)C)C1=C(C(=O)C1=O)C#CCOC	PC-id_10420566	208.211	JLUCLTGTVPHLCK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005334
CC(C)C1C=C(C1C(C)(C)C)C(C)(C)C	PC-id_146899130	208.219	XRYCGNQXTUPGQN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005335
C#CCCCC(=O)OCC1=CC[C@H]1CO	PC-id_102456572	208.254	ZFLFPQBXZWYUCG-JTQLQIEISA-N	00001100000000000000000000000000000000000000000000000000	06-01-005336
CCCCOC(=O)C1=C(C(=C1C)C)C=O	SCHEMBL14000064,PC-id_89222206	208.254	YGPGTSVAADKFNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005337
CCCCOC(=O)C1=C(CC1)C(=O)C=C	PC-id_87897579,SCHEMBL5819431	208.254	FGXURZATHMDWNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005338
OC1(C(=C(C1=O)C=C(C)C)OC)CC=C	PC-id_10488577	208.254	IGIHRTMMRFWEAP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005339
OC1(C(=C(C1=O)C)OC)C#CCCCC	PC-id_14033471	208.254	RSHVJWRRBPNOPR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005340
O(C1(C(=C(C(C)C)C1=O)OC)C#CC)C	PC-id_10560292	208.254	QVSNJQBQAAYIBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005341
O(C1(OC)C(=C(C1=O)C=C)CCC=C)C	PC-id_10081790	208.254	NDCQULKEBUYYNG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005342
[Si](C)(C)(C)C#CC1=C(OC)C(=O)C1=O	PC-id_14112438	208.286	QDJFHSXJZQYBJY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005343
CCCC#C[C@]1(O)C(=C([C@@]1(C)OC)C)C	PC-id_101660409	208.297	MUOOBGSBECTDGR-OLZOCXBDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005344
CCC(C)(C)CC1=CC(=C1C)C(=O)OC	PC-id_90842526	208.297	MPJCDBOQHNLGDY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005345
C=CCCCCCCCCC1=COC1=O	SCHEMBL8917661,PC-id_19027366	208.297	PEUVTNUQZFBTBL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005346
O=C1C(=C(CC(C)(C)C)C1=O)C(C)(C)C	PC-id_59630758	208.297	UTTFQTRUWSRBOX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005347
O(C1=C(CCCC)C(=O)C1=CC)C(C)C	PC-id_10242169	208.297	VHXBZSAVZTXFPU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005348
O(CCCCCCCC)C1=CC(=O)C1=O	PC-id_71393242	210.27	MVPWHKNJASPTHF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005449
O([C@@]1([C@](O)(C(=C1C)C)C#CCCC)C)C	PC-id_10375781	208.297	MUOOBGSBECTDGR-QWHCGFSZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005349
O([C@@]1(C(=O)C(=C1)C(CCC(=C)C)C)C)C	PC-id_15653878	208.297	GSZPIPUMTOLQAI-HQVZTVAUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005350
O(C1(C(O)(C(=C1C)C)C#CCCC)C)C	PC-id_85125961	208.297	MUOOBGSBECTDGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005351
O(C1(C(=O)C(=C1)C(CCC(=C)C)C)C)C	PC-id_85445531	208.297	GSZPIPUMTOLQAI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005352
CCC#CC(C(C#C)C)(C1=CC=C1)CC#C	PC-id_141108430	208.298	SLYJLRSMNOZXCJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005353
CSC1C(=CP1(C)(C)CC)S	PC-id_138478233,SCHEMBL20825034	208.324	DSPRMPJQKATRDR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005354
CCCCC1=C(C(C1=O)(C)C(C)C)CC	PC-id_101791415	208.34	SRYVZBMVYJJEFC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005355
CCC(CC1=CC(=O)C1)CCCC(C)C	PC-id_21399115,SCHEMBL11692613	208.34	SJFDYCJVGBLVJV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005356
O=C1C(=C(C1)CCCCC)CCCCC	PC-id_12135999	208.34	XTOKPMUDPWXHOU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005357
O=C1C(C(=C1C(C)(C)C)CC)CCCC	PC-id_66554370	208.34	BDHLUDGCUODZCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005358
O=C1C(CCCCC)C=C1CCCCC	PC-id_24977426	208.34	KLQJDFUNJRPMID-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005359
C1(C(=C(C1)C(C)C)C(C)(C)C)C(C)(C)C	PC-id_59617030	208.383	ZXJJHXAMWJZXIB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005360
[Si]1(C(C(=C1C)C(=C(C)C)C)CC)(C)C	PC-id_54324870	208.415	SUEZSJNMBFUYGW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005361
ClC1(Cl)C(=O)C(=C1)CCOCC	PC-id_5324814	209.07	WBNRHUSUYWWGBL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005362
CC(CC(=O)C1=C[P+](=C1)C)C(C)C=C	PC-id_155049649	209.109	FTPZXNMGPSETHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005363
O=C1C(=C(C1=O)NC1=C(O)C(=O)C1=O)O	PC-id_98098796	209.113	YTHHJLWSFNKGHT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005364
CCCCCCCCOC(=O)C1=NC=C1	PC-id_153900760	209.142	MKNYWSZEAFJTTP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005365
ClC1(Cl)C(=CC1=O)[Si](C)(C)C	PC-id_11085056	209.145	BDAQVZGGLPMBRO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005366
O=C1C(Cl)C(=C1Cl)[Si](C)(C)C	PC-id_101040779	209.145	OVXGRDUAQHUVBK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005367
FC(=C/C=C/1C(=O)/C(=C/C)/C1=O)C(=O)[O-]	PC-id_59725262	209.151	WCEBDIJZZJOJIR-BMOKRESOSA-M	00000100000000000000000000000000000000000000000000000000	06-01-005368
CC[C@@H](C1(C=CN1)C)N/C(=C/NC)/CC	PC-id_164132048	209.189	YOPTYFCIRMEMJM-WZQHRFJBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005369
CC(C)(C)COC1=C(C(=O)C1=O)N=[N+]=[N-]	PC-id_134893225	209.202	DPHBFIMSXMIBQO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005370
CCC1C=CC1(CC)N(CC)C(C)CC	PC-id_155197223	209.214	LCAOQUYMNNIFSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005371
CC[C@H](/C(=C/C)/OC)NC1=CC(=O)C1=O	PC-id_142810516	209.242	AUEWVCMETYBTPY-SUKXWOPLSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005372
C1(=C(C(=O)C1=O)N(CC)CC)C(C)(C)C	EMOLS-id_8270481,CoCoCo_6950567,ZINC22_2154107,PC-id_1803465,TIMTEC52074,SPECS-id_AN-967/15488143,MCULE-6092075065	209.285	RNMITNMDEITZAH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005373
CC(=C)CC1=CCN1C(=O)OC(C)(C)C	PC-id_134966751	209.285	LYPMSAJFALKRET-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005374
CCCCCCCCNC1=CC(=O)C1=O	PC-id_142109083	209.285	GCFXBBUTRNCROF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005375
CC(C)(C)CC(C)(C)NC1=CC(=O)C1=O	PC-id_91231990	209.285	NDQLJEVJWOROJK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005376
CCCCCCC(C)NC1=CC(=O)C1=O	PC-id_91429791	209.285	AIBZFKIULWJALB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005377
CC(CN(C1=C(C(=O)C1=O)C(C)C)C)C	SCHEMBL8293338,PC-id_59832990	209.285	DNUDYLNORFWLQK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005378
CCCN(C1=C(C(=O)C1=O)C(C)(C)C)C	SCHEMBL8295851,PC-id_88276108	209.285	ZSRDXRLPGDEKKO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005379
CC(N(C1=C(C(=O)C1=O)C(C)(C)C)C)C	SCHEMBL13604860,PC-id_57982011	209.285	MXADPYINVFCRMX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005380
CCOC(=O)CCC1=CN=C1C(C)(C)C	SCHEMBL21063799,PC-id_138690086	209.285	KHCVKULIOYTFNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005381
O=C1C(=C(NC(C)(C)C)C1=O)C(C)(C)C	PC-id_59009539,SCHEMBL11934537	209.285	CULSOECYFXFTTK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005382
O=C(OC(C)(C)C)/N=CCCC1CC=C1	PC-id_142973720	209.285	XCNUPTIAGWOWHY-LCYFTJDESA-N	00001100000000000000000000000000000000000000000000000000	06-01-005383
[O-]C1=C([N+]#N)C(N1C(C)(C)C)C(C)(C)C	PC-id_20668950	209.288	DSNDAOVOMQEOIR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005384
CCCCCC[C@@H](OCCC1=CC=N1)C	SCHEMBL10440839,PC-id_70367918	209.328	AUTRNFOFXCNDOP-LBPRGKRZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005385
O(C(CCCCCC)C)CCC1=CC=N1	PC-id_77833868	209.328	AUTRNFOFXCNDOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005386
O=C(NCCCC)CCCCC1CC=C1	PC-id_85730234	209.328	YXJFBPJHNKDKJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005387
CC/C=NN([C@]1(C)N(CC)C=C1CC)C	SCHEMBL19964364	209.331	BIVXNQQCJPNEQU-FNWMBBJUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005388
CC/C=NN(C)C1(C(=CN1CC)CC)C	PC-id_134340422	209.331	BIVXNQQCJPNEQU-LCYFTJDESA-N	00001100000000000000000000000000000000000000000000000000	06-01-005389
N#CC1=CCC1O[Si](C(C)(C)C)(C)C	PC-id_102012979	209.36	LTDYOWQARGAXGH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005390
CC(C1=C(N(C1)C(C)(C)C)C(C)(C)C)C	PC-id_59617137,SCHEMBL2756067	209.371	AHADCOZAXDWHGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005391
CCC(C1C=C[C@@H]1[C@H](C(C)C)C)(CC)N	SCHEMBL18568350	209.371	SECSWGJVKNFOEP-LAGVYOHYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005392
ClOC(=O)C1=C(C(=C)C1C)C(=C)C#N	PC-id_141575078	209.629	GVDGBLOFVOZDPC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005393
ClC1C(S(=O)(=O)CCCN)C=C1	PC-id_58684816	209.694	YQOKLPKBGODVLW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005394
CC1=CCC1S(=O)(=O)OCCCl	PC-id_154962453	210.012	IGOZVQVYGZMPDF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005395
FC(F)(F)C1(OC=C1F)C(F)(F)F	PC-id_12583199	210.05	LOGFZIHUXRZJQS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005396
O=C1C(=C(C1=O)OC1=C(O)C(=O)C1=O)O	PC-id_19065766,SCHEMBL8722443	210.097	WWGYNOGFEGRNQV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005397
CCCCOB(C1=CCC1)OCCCC	PC-id_141481557	210.121	LJXWHSNXDFSQJK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005398
CC1=C(C(=O)C1=O)N(C)CCCN(C)C	PC-id_155278217	210.137	QZBDMEGXJSWHNQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005399
CC(C)(C)C1=C(C(=O)C1=O)NCCCN	PC-id_153438637	210.137	MOYMHBPQBDISDU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005400
CC(C)CCCCNC1=C(C(=O)C1=O)N	PC-id_155278333	210.137	UWSQMDYLHOVSNM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005401
CC(C)(C)CCN(C)C1=C(C(=O)C1=O)N	PC-id_153438675	210.137	HFIOSKPYWXNTNZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005402
CC(C)CCNC1=C(C(=O)C1=O)N(C)C	PC-id_153551253	210.137	XWAUOFBJUHVXFB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005403
CCCCN(C)C1=C(C(=O)C1=O)NCC	PC-id_153547935	210.137	MYMBSHTVTDHTMH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005404
CCCNC1=C(C(=O)C1=O)NC(C)(C)C	PC-id_153551458	210.137	WTJXXGZFIJSHLX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005405
CCCN(CC)CCNC1=CC(=O)C1=O	PC-id_153333331	210.137	KIXCGTMPHULJJC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005406
CCCN(C)CCN(C)C1=CC(=O)C1=O	PC-id_153547789	210.137	KJEQWYZQSORYRX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005407
CCNC1=C(C(=O)C1=O)NCCC(C)C	PC-id_155278326	210.137	CCLZRPQNJNQOBZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005408
CCN(CC)CCNC1=C(C(=O)C1=O)C	PC-id_153547904	210.137	WDQCSPZFKAPOME-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005409
CCN(CC)CCN(C)C1=CC(=O)C1=O	PC-id_153333413	210.137	SCADFIGSIBHMHI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005410
CC(=O)S1=C(C=C1)OP(=O)(O)O	SCHEMBL8476768,PC-id_88307042	210.145	YKLUNCOKSAJUPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005411
O=C(CP(=O)(O)O)OC1SC=C1	PC-id_140202238	210.145	YYVXDPSNGMSEIC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005412
S1C(OP(=O)(O)O)(C=C1)C(=O)C	PC-id_57039162	210.145	HKGSGKMNGGITBL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005413
C(=C(C#N)C1=C(C(=O)C1=O)C(=C=N)C#N)=N	PC-id_136671617	210.148	GNVSZRMMVGYLSN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005414
C(=N)C(=C1C(=O)C(=C(C#N)C#N)C1=O)C#N	PC-id_136671619	210.148	LYYFYWOZSQMHBE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005415
CC=C1C(=O)C(=CC=C(C(=O)O)F)C1=O	SCHEMBL12669270	210.159	WCEBDIJZZJOJIR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005416
FC(=C/C=C/1C(=O)/C(=C/C)/C1=O)C(=O)O	PC-id_59725263	210.159	WCEBDIJZZJOJIR-BMOKRESOSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005417
CC1C=C(C1=O)N(C)CCCCN(C)C	PC-id_153547798	210.173	OHJXLYIGEMOVEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005418
C=CCN(CC(=O)O)C1=C(N)C(=O)C1=O	PC-id_9942521,SCHEMBL2152676,CHEMBL142208	210.187	UKKBTSNNWGTWFU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005419
CCCC1=C(CCC)C(C1(F)F)(F)F	PC-id_276075,CoCoCo_5450766,NSC123312,LI_44670	210.212	PSMONAUPDZJRAH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005420
C1CC(=C1)OC(=O)CCCC=CC(=O)O	PC-id_87623304,SCHEMBL4119654	210.226	XGDQPWOLTFAXBY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005421
CCC(=CCC(=O)OC1=CCC1)C(=O)O	PC-id_87661453,SCHEMBL4384681	210.226	QPYLRWMDAPLAIM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005422
COC(=O)C1=C(C(C1)(C)C=C)C(=O)OC	PC-id_102272244	210.226	YKLPAPUTERINEY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005423
COC(=O)C1=C(C(C1)C(=C)C)C(=O)OC	PC-id_102272246,EMOLS-id_337900310	210.226	CPMSWSJVGNWLND-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005424
OC#CCCCC1C(=O)C(=C1OC)OC	PC-id_121223479	210.226	HIDXNYGTUAWONO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005425
C1C(=CN1C(=O)CCCCC(=O)N)C=O	SCHEMBL5669056,PC-id_87872979	210.23	PZIUQIKLARZWBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005426
CC1(C(=C(C1(C)C(C#N)C#N)C#N)C#N)C	PC-id_91450653	210.235	FCPUUOCYRYCTIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005427
CCC1(COCC2(CC)OC=C2)OC=C1	PC-id_140567750	210.27	FOJROMKKWMWCOB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005428
CC(C)(C)C1=C(C(C1=O)(OC)OC)C=C	PC-id_134895156	210.27	XNHPUJWMRZYIQR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005429
CCCCC(C1=C(O)C(=O)C1=O)(CC)C	PC-id_139566946,SCHEMBL21445183	210.27	HWBQQVNACAFWRF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005430
CCCCCCCCC1=C(O)C(=O)C1=O	PC-id_59755473,SCHEMBL12432436	210.27	GASWNLMRNVRQJZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005431
CCCCOC1=C(C(=O)C1=O)CCCC	PC-id_101064300	210.27	KUJMOTBMYJASNE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005432
CCOC1=C(C(=O)C1=O)CCC(C)(C)C	PC-id_142659120	210.27	UUSOGIFXSPCTSO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005433
CC(=O)OC1C=C(C1=C(C)C)C(O)(C)C	PC-id_101122207	210.27	GTXQZDJDUKXFCX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005434
O(C1(C(C(=C1C)C)(C)C(=O)C)C)C(=O)C	PC-id_71388549	210.27	BKXJSGXCXXLTTC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005435
O(C1(C(=C(C1=O)C(C)C)OC)C(=C)C)C	PC-id_10560390	210.27	NOJYWXJQPZHSQS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005436
O(C1(C(=C(C1=O)C)OCC)CC=C)CC	PC-id_15272188	210.27	QQGHTDGBBVVOQI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005437
O(C1(C(=C(C(C)C)C1=O)OC)/C=C/C)C	PC-id_10750941	210.27	HTTMBPGGKYQCEG-VOTSOKGWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005438
O(C1(C(=C(C(C)C)C1=O)OC)C=CC)C	PC-id_10822346	210.27	HTTMBPGGKYQCEG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005439
OC1(CCCC)C(=C(C1=O)C(=C)C)OC	PC-id_14415876	210.27	SQDNPENXXXPETD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005440
O(C1=C(CCCCC)C(=O)C1=O)C(C)C	PC-id_86164783	210.27	MGRIDHCPYYGOSV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005441
O(C1=C(C(C)(C)C)C(=O)C1=O)C(C)(C)C	PC-id_12555060	210.27	OFDDQLGIGIBBNX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005442
O(C1=C(C(=O)C1OC)C=C(C)C)C(C)C	PC-id_10774808	210.27	XIRWKEYKPUQDCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005443
O(C1=C(C(=O)C1(OC)C(=C)C)C)C(C)C	PC-id_11447148	210.27	BRQGNHMUVMLVJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005444
O(C1(OC)C(=C(C1=O)C)CC/C=C/C)C	PC-id_10013346	210.27	ANPODQXVMDCHAS-AATRIKPKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005445
O(C1(OC)C(=C(C1=O)C)CCC(=C)C)C	PC-id_10242225	210.27	CMGOJEZLUBBIDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005446
O(C1(OC)C(=C(C1=O)C)CCC=CC)C	PC-id_10375827	210.27	ANPODQXVMDCHAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005447
O(C1(OC)C(=C(C1=O)C=C)CCCC)C	PC-id_9990698	210.27	YJBIALNMLFWJAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005448
CC1(C=C(O1)CC(CC=C)C(=O)NN)C	PC-id_90130607,SCHEMBL15684094	210.273	APJPLDXYYXCMMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005450
CCCCCNC1=C(C(=O)C1=O)N(C)C	SCHEMBL19168604	210.273	JDHKMOMCYSZPBX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005451
CCCCCN(C1=C(C(=O)C1=O)NC)C	SCHEMBL21230992,PC-id_139376770	210.273	XKWBQMKGXYKCBO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005452
CCCN(CCNC1=C(C)C(=O)C1=O)C	PC-id_139376646,SCHEMBL21230855	210.273	AIPYOLRVDOBBFO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005453
CCN(C1=C(C(=O)C1=O)N(C(C)C)C)C	PC-id_57982043,SCHEMBL13604884	210.273	UWGLWKLLSFHSFT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005454
CC(NC1=C(C(=O)C1=O)NC(C)(C)C)C	SCHEMBL17899042,PC-id_121460729	210.273	FCCJYVLBHZVLJQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005455
CCN(CCN(C1=C(C)C(=O)C1=O)C)C	PC-id_139376649,SCHEMBL21230858	210.273	CWNFGCVZHRFVBF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005456
CNC1=C(C(=O)C1=O)NCCC(C)(C)C	PC-id_139376627,SCHEMBL21230836	210.273	KAJVDGDQEUOQMD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005457
CNC1=C(C(=O)C1=O)NCCCC(C)C	SCHEMBL19173939	210.273	MJIYQAQXHZSOAE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005458
CN(CCCCNC1=C(C)C(=O)C1=O)C	PC-id_139376632,SCHEMBL21230841	210.273	UZQNLYQWXDGWGJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005459
N[C@@H](C(C)(C)C)CNC1=C(C)C(=O)C1=O	SCHEMBL13605097,PC-id_57982012	210.273	HJIFPBMRLFCLES-SSDOTTSWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005460
O=C1C(=C(C1=O)C)NCC(N)C(C)(C)C	PC-id_76695270	210.273	HJIFPBMRLFCLES-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005461
O=C1C(=C(C1=O)NCCCC(C)(C)C)N	PC-id_142431845	210.273	ZEXFSPLCMRCJFN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005462
OC1=C([N+]#N)C(N1C(C)(C)C)C(C)(C)C	PC-id_20668951	210.296	DSNDAOVOMQEOIR-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-005463
COC1=C(C(=O)C1=O)C(=C)[Si](C)(C)C	PC-id_101036811	210.302	QIXWINPRFYCMSI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005464
CCCCCCC1=CC(C1)C(=O)OCC	PC-id_102193202,EMOLS-id_337901843	210.313	KUHLSMNHSPTCRY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005465
CCCCCCC1=C(CC1)C(=O)OCC	SCHEMBL18092248,PC-id_57166391	210.313	HIFRLIFAUXRIRY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005466
CCCCC(CC1=C(CC1)C(=O)O)CC	SCHEMBL2909565,PC-id_53639245	210.313	AEXCQVVKJILYFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005467
CCCCCCC1=CC(C)(C1)C(=O)OC	EMOLS-id_337901075	210.313	OLEXCXJJYQTKGQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005468
CCCCCCCCOC(=O)C1=CCC1	PC-id_71517949,SCHEMBL17010721	210.313	DSESMNZBIXSZCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005469
CCCCC(CC)COC(=O)C1=CCC1	SCHEMBL670833,PC-id_87139752	210.313	SQDRIOMOFQDEFG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005470
CCCCCC(OC(=O)C1=CCC1)CC	PC-id_117689613,SCHEMBL16225794	210.313	NFKYSXTUHUCKBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005471
CCCCCCOC(=O)C1=C(CC1)CC	PC-id_87556874,SCHEMBL3678044	210.313	DEQSWSKJODHNHT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005472
CCC[C@H]1C=C([C@H]1CCC)C(=O)OCC	PC-id_135075764	210.313	SRQVNKFQFSMSGV-QWRGUYRKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005473
CCC[C@@H]1[C@@H](CCC)C=C1C(=O)OCC	PC-id_102411883	210.313	SRQVNKFQFSMSGV-WDEREUQCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005474
CCCCOC1=C(CCC)C(=O)C1(C)C	SCHEMBL2986704,PC-id_21919709	210.313	NQVDPIFBMKXBKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005475
O(C1(CCCC)C(=O)C(=C1)CCCC)C	PC-id_15738825	210.313	NIOVOUKMJXMPCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005476
O(C1(C(C)(C)C)C(=O)C(=C1)C(C)(C)C)C	PC-id_85677514	210.313	VLESYJIHFMVDLA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005477
OC(=O)CCCCCCCC1C=CC1C	PC-id_118179883,SCHEMBL16842689	210.313	DEBMKZXAKQZAOX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005478
OC(=O)CCCCCCCC1C=C[C@@H]1C	PC-id_118179885,SCHEMBL16842691	210.313	DEBMKZXAKQZAOX-PXYINDEMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005479
OC(=O)CCCCCCC[C@@H]1C=C[C@H]1C	SCHEMBL16842713,PC-id_118179905	210.313	DEBMKZXAKQZAOX-VXGBXAGGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005480
[Si](C#CC1(O)C(OC)(C=C1)C)(C)(C)C	PC-id_85085567	210.345	OBKSQLVYCJGCAF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005481
[Si](C#C[C@]1(O)[C@@](OC)(C=C1)C)(C)(C)C	PC-id_9990711	210.345	OBKSQLVYCJGCAF-QWRGUYRKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005482
CNCCCCCC1C(=CC1NC)CC	PC-id_144523139	210.359	ZQLJJACISXRDAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005483
C1=C(NC1Br)Br	PC-id_153026362	210.863	VCYCPPSVQNGKAH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005484
CC(C1C[I]=C1)N	PC-id_164107509	210.986	XUBPRNOKLWTAAT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005485
ClC1(C(Cl)(C=C1)C(=O)O)C(=O)O	PC-id_71368278	211	RZGCWFAMBNUWPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005486
CC(C(OB(C1=CN(C1=O)C)O)(C)C)C	PC-id_145084136	211.066	ZFRDWJZELKTDEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005487
CCCCCCC1=C(C(=S)C1=O)NC	PC-id_164941979	211.103	YLUYIFUILKYJTN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005488
CN(C)CCCN(C)C1=C(C(=O)C1=O)N	PC-id_155054644,CHEMBL4449751	211.132	YQCWKPZLZBTMOY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005489
CCCNC1=C(C(=O)C1=O)OC(=O)CC	PC-id_137470663,SCHEMBL20711237	211.215	REIFPLHSHQVYRE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005490
CC(=CNCC(=O)O)C(=O)OC1=CCC1	SCHEMBL3678826,PC-id_87557051	211.215	NRPQFQRTZMCZGT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005491
CCOC1=C(C)C(=O)C1(OCC)N=[N+]=[N-]	PC-id_101083403	211.218	DGOBANRLPOXZJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005492
O=C1C(=C(N)C1=O)N(CC(C)C)C(=O)N	PC-id_45093225	211.218	DBNNYEMPTJRPEG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005493
O=C1C(=C(NC(=O)N)C1=O)NCCCC	PC-id_45093224	211.218	XTTLFCFSWMMYRJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005494
CC(C[C@H](CCC1=C(O)C(=O)C1=O)N)C	PC-id_142648877	211.258	JQEZNIFAXJJMHR-ZETCQYMHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005495
CCCCOC(C)CNC1=CC(=O)C1=O	SCHEMBL8596310,PC-id_88328864	211.258	XEZUKKLTVKAHBV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005496
CCN(C1=C(C(=O)C1=O)OC(C)C)CC	SCHEMBL6889181,PC-id_18423395	211.258	DFNACHSUIIKLMQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005497
CCN(CC)C(C)(C)OC1=CC(=O)C1=O	PC-id_88150037,SCHEMBL7491100	211.258	OACXHYNNUFOQCJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005498
CCOC1=C(C(=O)C1=O)NC(C(C)C)C	PC-id_71437876,SCHEMBL3717368	211.258	BRVCKKGGAIPOMR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005499
CCOC1=C(C(=O)C1=O)NC(CC)(C)C	SCHEMBL7599517,CoCoCo_2509218,PC-id_17819403	211.258	OKKGGLMPYHUFDT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005500
CCOC1=C(C(=O)C1=O)N[C@H](C(C)C)C	SCHEMBL3717367,PC-id_45093222	211.258	BRVCKKGGAIPOMR-ZETCQYMHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005501
O(C1=C(N(CCC)CCC)C(=O)C1=O)C	PC-id_85729029	211.258	VCUBYHLJIKEFPG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005502
O(C1=C(NCCC)C(=O)C1=O)CCCC	PC-id_86168781	211.258	SUFCHOVTNDCITG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005503
O(C(C)(C)C)C(=O)CNC(=O)C1=CCC1	SCHEMBL11910909,PC-id_24802881	211.258	XAHPVMQPQAVBEW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005504
O(C1(OC)C(=C(C1=O)C)C(C/C=C/C)[2H])C	PC-id_10420682	211.276	ANPODQXVMDCHAS-VBIDLDGSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005505
CCCCC(C1=CCC1)CCC[N+](=O)[O-]	SCHEMBL10335919,PC-id_88595272	211.301	WUNGTJFQWKPSNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005506
CCCCCC1=C(CC1)CCC[N+](=O)[O-]	SCHEMBL10335921,PC-id_88595274	211.301	DNIFHDKLWIMPJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005507
CCC[C@@H]1[C@H](C)C(=C1OCC)CN(C)C	PC-id_101202706	211.344	SQWJLMDWTAFJIY-WDEREUQCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005508
CCC[C@H]1[C@@H](C)C(=C1OCC)CN(C)C	PC-id_101202707	211.344	SQWJLMDWTAFJIY-MNOVXSKESA-N	00001100000000000000000000000000000000000000000000000000	06-01-005509
CCCN(C1C=CC1OC(C)C)CCC	SCHEMBL7463793,PC-id_88147240	211.344	JCJSVMURJPLZRZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005510
[O-][N+]1=CC(C1)(CCCCC)CCCCC	PC-id_14105264	211.344	NNAOQFXQTKZDFF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005511
ClC1=C(Cl)C(C1(F)Cl)(F)F	SCHEMBL9328074,PC-id_12524762	211.397	LECRQKUGOYGACW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005512
ClC1(F)C(Cl)(Cl)C(=C1F)F	PC-id_54449858,SCHEMBL9329485	211.397	WUEFADIOQLFXOB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005513
FC1=C(Cl)C(C1(F)Cl)(F)Cl	SCHEMBL9471163	211.397	XAZSCOQKTUHISM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005514
BrC1=C(Br)CC1	EMOLS-id_324248314	211.883	FYMLMHHFYOQKCM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005515
BrC1C(Br)C=C1	PC-id_542850	211.883	LOUHHAXEVCJWFQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005516
[C-]#[N+]C(C#N)C1C(=C(C1=O)C(C#N)[N+]#[C-])O	PC-id_162275634	212.033	GHZQLZPGNURKEJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005517
FC1(C(F)(F)C(=C1F)F)C(F)(F)F	PC-id_145427	212.041	XTLSITUJHHOIFO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005518
FC1(F)C(F)(F)C(=C1C(F)(F)F)F	PC-id_20082199	212.041	WZXKOFHRFDEUOI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005519
CCOC1(C(=CC1(F)F)Cl)OCC	PC-id_165349358	212.042	YYZHVQUJJYAJTM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005520
CC1=C(C(=O)C1=S)NCCCN(C)C	PC-id_155281143	212.098	RQBOROMDZSLTOD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005521
CC1=C(C(=S)C1=O)NCCCN(C)C	PC-id_155278251	212.098	YRAJHOJBPXTFET-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005522
CCC1=C(C(=O)C1=S)N(C)CCCN	PC-id_155278520	212.098	IPWFAKLRFHMBIE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005523
CCCCCNC1=C(C(=O)C1=S)NC	PC-id_155278237	212.098	JSGZGMXURILBNA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005524
CCCCCNC1=C(C(=S)C1=O)NC	PC-id_155278263	212.098	BMRHDYQDTRBXSG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005525
CCCCCN(C)C1=C(C(=O)C1=S)N	PC-id_155278240	212.098	UYYSSNMROXJRBR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005526
CCCCNC1=C(C(=O)C1=S)N(C)C	PC-id_155281324	212.098	YTNXMAIFHKBWIO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005527
CCCCNC1=C(C(=S)C1=O)N(C)C	PC-id_155278254	212.098	AJBLPPYHMCDBJW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005528
CCCCN(C)C1=C(C(=O)C1=S)NC	PC-id_155278347	212.098	RYBVQERLBFXXPN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005529
CCCN(C)CCNC1=CC(=O)C1=S	PC-id_153551528	212.098	ZHUAVMGHVKAXBV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005530
CCN(C)CCCNC1=CC(=O)C1=S	PC-id_153547908	212.098	NHZRLYRAHFLUBN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005531
CCN(CC)CCNC1=CC(=S)C1=O	PC-id_153333286	212.098	GDZDPQPKFBKMEZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005532
CCN(C)CCN(C)C1=CC(=O)C1=S	PC-id_153333359	212.098	DIXCKRMJKMBQSB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005533
CN(C)CCCCNC1=CC(=O)C1=S	PC-id_153333342	212.098	SVNGLJKZPMBDKR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005534
C1(C(=O)C(C1=O)OC1=C(C(=O)C1=O)O)O	PC-id_91246850	212.113	FIOIIPDSLTXOGM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005535
CC1=C(C(=O)C1=O)N(C)CCOCCN	PC-id_155278234	212.116	JIJYPQXFTULXFD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005536
CC1=C(C(=O)C1=O)NCCOCCNC	PC-id_155278243	212.116	LBMRXNZMUYQAHC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005537
FC1(F)C(F)(F)C(=C1C(=O)C)OCC	PC-id_45094295	212.142	CVTIWPHJPJXZHS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005538
FC1(F)C(F)(F)C(=C1OCC=C)OC	PC-id_23269533	212.142	NYRFVWYOCXIMDD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005539
CC1=C(C(C1=O)O)N(C)CCCCNC	PC-id_155278227	212.152	QBRHZXSIKJLTLE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005540
CCCCNC1=C(C(C1=O)O)N(C)CC	PC-id_155278232	212.152	WILKKPOJXNSXCE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005541
N=CC(=C1C(=O)C(=C(C#N)C=N)C1=O)C#N	PC-id_122592250,SCHEMBL18117589	212.164	CVDDBHLFZOHCKG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005542
CCOC(=O)C(C1=C(C(=O)C1=O)OC)C	PC-id_101639136	212.199	FYMBZIFXZUATGL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005543
COC(=O)C(C1=C(C(=O)C1=O)OC)(C)C	PC-id_101639137	212.199	AIWKBHMWOFQEAF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005544
COC(=O)C(C=O)C(C1CC=C1)C(=O)O	PC-id_88998696	212.199	COTATMIGNUJNKA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005545
COC(=O)[C@@H]([C@H](C1CC=C1)C(=O)O)C=O	SCHEMBL13001954	212.199	COTATMIGNUJNKA-VVXQKDJTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005546
O(C1=C(CC(=O)OC)C(=O)C1=O)C(C)C	PC-id_11138411	212.199	DBXDOSVRXKJAGE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005547
O(C1=C(OC)C(=O)C1(O)C#COCC)C	PC-id_85574270	212.199	UGOZVAHHQAOXBX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005548
OC1=C(NC(=O)NCCCC)C(=O)C1=O	PC-id_85775441	212.203	HCKJOSMIAINFNM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005549
O=C(OC(C)(C)C)NC1=C(N)C(=O)C1=O	PC-id_139269909	212.203	VSAYBJQSHCSLPT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005550
CCCC1CC(=C1C(=O)OC)C(=O)OC	EMOLS-id_337896732,PC-id_11218105	212.242	PQQNATPLQMUECP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005551
CCCC1=CC(C1C(=O)OC)C(=O)OC	EMOLS-id_337901597	212.242	MENSMLASWUKQAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005552
CCCCCCCOC1=C(O)C(=O)C1=O	PC-id_20278307,SCHEMBL10960807	212.242	MALGQYIQMAHZFG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005553
CC(C)OC1=C(C(=O)C1=O)OC(C)(C)C	PC-id_85761446,SCHEMBL10035662	212.242	GTWFBKFMZUKEJC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005554
CCOC(=O)C1CC(=C1C)C(=O)OCC	PC-id_102483694,EMOLS-id_337901332	212.242	WNOGWHLEWIJOKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005555
CCOC(=O)C1CC(=C1C(=O)OCC)C	EMOLS-id_337895963	212.242	DKHLNIUHUBKOLB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005556
O(C1(C(C)C=C)C(=C(OC)C1=O)OC)C	PC-id_15701467	212.242	NVZOFGWHYROPTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005557
O(C(C1=CCC1)C(C)C(=O)OC)C(=O)C	PC-id_539620	212.242	IVHBNFCTEKRRMK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005558
O(C(=O)C1=C(CC1C(C)C)C(=O)OC)C	PC-id_11095919	212.242	HWTUZKWURGUSLW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005559
CCOC1=C(C(=O)C1=O)NCCN(C)C	PC-id_134963432	212.246	YJXVKNWJLIGGDF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005560
CN(CCCN(C1=C(O)C(=O)C1=O)C)C	SCHEMBL16921707,PC-id_118244762	212.246	KIFQUJJJCKAPFF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005561
O=C1C(=C(NCO)C1=O)NCCCCC	PC-id_86086607	212.246	FKRNMDRUDCPQQT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005562
O=C1C(=C(NO)C1=O)NCCCCCC	PC-id_11528595	212.246	XYWJZWQMEJEHSR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005563
O=C1C(=C(N(O)C)C1=O)NCCCCC	PC-id_11615434	212.246	YDHWEYRNBUQHMJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005564
FC1=CC(C1)(CC=C)C(=O)OC(C)(C)C	PC-id_57723673	212.261	RGIAHNYDHJSWJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005565
SCCNC1=C(C(=O)C1=O)NCC=C	PC-id_101444338	212.269	SOZJRWHBBGCBCE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005566
CCCCCCC1=C(OC1=O)C[C@H](O)C	SCHEMBL9826108,PC-id_67936008	212.285	JKSBTCYQKSMKGO-SECBINFHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005567
CCCCCOC(=C)C1=CC(O1)(O)CC	SCHEMBL18404053	212.285	WPNUAGHDTXWFSW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005568
CCOC(=O)C1=C[C@H](CC)[C@H]1CCCO	EMOLS-id_337900571	212.285	LZHUPKWPGBCBOQ-VHSXEESVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005569
O1C(=C(CCCCCC)C1=O)CC(O)C	PC-id_77381817	212.285	JKSBTCYQKSMKGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005570
O(C1=C(C(C)(C)C)C(=O)C1(O)C)C(C)C	PC-id_11806011	212.285	KSTWEFTTZBKGSB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005571
O(C1=C(C(=O)C1(O)C)CCCC)C(C)C	PC-id_10987581	212.285	DJKCPHXJAWMHEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005572
O(C1=C(C(=O)C1(O)C)CCCC)CCC	PC-id_85678740	212.285	UXMNLOVMIJNTKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005573
S=C1C(=C(OC(C)C)C1=O)CCCC	PC-id_11830765	212.309	VLJLOAYFIKNUNL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005574
CCCCNC1=C(C(=S)C1=O)NCC	SCHEMBL21230892,PC-id_139376682	212.312	XQWUCMXVEJWGCS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005575
CCCNC1=C(C(=S)C1=O)N(CC)C	SCHEMBL21231041,PC-id_139376819	212.312	COFPMHNWRILCER-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005576
CCN(CCNC1=C(C)C(=S)C1=O)C	PC-id_139377009,SCHEMBL21231263	212.312	METDJCCXBRPWPD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005577
CNCCCCNC1=C(C)C(=S)C1=O	PC-id_139376790,SCHEMBL21231012	212.312	FDPDTIYYHPYHMU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005578
NCCCCN(C1=C(C)C(=O)C1=S)C	SCHEMBL21231003,PC-id_139376781	212.312	TUTGMYVDDQBXMQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005579
NCCCCNC1=C(C(=O)C1=S)CC	PC-id_139376773,SCHEMBL21230995	212.312	ZAKRVNVVRIDUCD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005580
O(C1(C(O)C(=C1)CCCC)CCCC)C	PC-id_15738828	212.328	BZKDAXUSGXAEAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005581
O(C(OC)CCC1=CC(C1(C)C)(C)C)C	PC-id_13486539	212.328	ZPDATQLUJKQMKW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005582
CCCCCCCCCC1(S)OC#C1	PC-id_140898429	212.352	PZTLIAJGIHSBGX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005583
CCOC1=C([Si](C)(C)C)C(=O)C1(C)C	ZINC22_169833352,PC-id_99772214	212.361	ZXOWZHUWKJPKMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005584
S1C(C(=C1C(C)(C)C)CC(C)C)(C)C	PC-id_85726922	212.395	BFGSPNQJWXZCIU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005585
ClC1=C(C(C1)(C)C)C(=O)C(F)(F)F	PC-id_86087845	212.597	WJDFCDGAFYLOSJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005586
ClC1=C(N(C(C)(C)C)C#N)C(=O)C1=O	PC-id_85521682	212.633	XSZYFFNCCWYBMK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005587
CCCCC1=C(Cl)C(=O)C1/C(=CC)/C	PC-id_101221683	212.716	MAKWCFRTHSWSKF-YVMONPNESA-N	00001100000000000000000000000000000000000000000000000000	06-01-005588
ClC1=C(C(C1=O)C(=CC)C)CCCC	PC-id_85831522	212.716	MAKWCFRTHSWSKF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005589
C1=C(C(=N1)I)Cl	PC-id_163971181	212.884	SQCXOUGLVPIBNN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005590
[Ge](C1=CCC1)(CC)(CC)CC	PC-id_13384005	212.906	MKBZMUCCPIEMEO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005591
C1=C(C(=N1)P(=O)(O)O)P(=O)(O)O	SCHEMBL2985481,PC-id_87462258	213.022	SITSLFBZYIKQKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005592
C1=C([C-]=N1)CNCC(C(F)(F)F)(F)F	PC-id_153945194	213.046	TYGPYTFUOGYQNG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005593
CC1CC=[I]1(C)N	SCHEMBL10252363,PC-id_88580838	213.06	SNMPAXYLOYVPBC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005594
CCN(CCO)C1=C(C(=O)C1=O)OCC	PC-id_155051336	213.1	OJFFWVPQHQUHBT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005595
C1(=C(C(=N)C1=N)N)C(C(F)(F)F)(F)F	PC-id_88927868,SCHEMBL12510911	213.108	XBNQQURGEYDCOU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005596
CC(C)(C)OC(=O)NC1=C(O)C(=O)C1=O	MCULE-6468886672,EMOLS-id_324013459	213.187	LFDLACXSSVSKDV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005597
O(C1=C(NC(C)C(=O)O)C(=O)C1=O)CC	PC-id_75089331	213.187	FPQFZLXAURVSJA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005598
O(C1=C(N[C@@H](C)C(=O)O)C(=O)C1=O)CC	PC-id_45093287	213.187	FPQFZLXAURVSJA-BYPYZUCNSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005599
[O-][P+]1=C(CC1CC)CN(C(=O)C=C)C	PC-id_141133277	213.213	QASLBCSGEBRBEF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005600
CCOC(=O)C(C1=C(C(=O)N1)C(O)C)C	SCHEMBL9431463,PC-id_67850348	213.23	JYBPSGUZSWCWMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005601
COCCN(C1=CC(=O)C1=O)CCOC	PC-id_135329752,SCHEMBL20500867	213.23	VZTQZXGJOSFBTJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005602
O(C1=C(NC(CC)CO)C(=O)C1=O)CC	PC-id_14872875	213.23	ALIMOKYQCKAIIQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005603
O(C1=C(N[C@H](CC)CO)C(=O)C1=O)CC	PC-id_14872876	213.23	ALIMOKYQCKAIIQ-ZCFIWIBFSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005604
OC[C@@H](C(=O)O)NC1=CC(=O)[C@]1(C)CC	PC-id_101843862	213.23	JVIKJRITWVGBKM-QUBYGPBYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005605
OCC(NC1=C(OCC)C(=O)C1=O)(C)C	PC-id_14872874	213.23	GIKIGOHJANHOTA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005606
CN(C)CCCN(C1=C(C(=O)C1=O)O)N	PC-id_90063841,SCHEMBL15598098	213.234	YSSOPYYEWDFHHA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005607
OCCNCCNC1=C(C(=O)C1=O)NC	PC-id_145166743	213.234	DAHGMLXUHXNLRD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005608
NCC(=O)C(OC(C1OC=C1)C)(CC)C	SCHEMBL21159858,PC-id_139314401	213.273	OKRRWTHXRDCBRV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005609
CCC(C(=O)SN1CC=C1)[C@@H](CC)C	PC-id_143324840	213.34	VVPMFXNCYWXOAR-YHMJZVADSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005610
C1(=C(C(C1(F)F)(F)F)C(=O)O)C(=O)O	PC-id_154393408	213.989	FQJHBNAZJDOUTG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005611
P(=O)(O)(O)C1(P(=O)(O)O)CC=C1	PC-id_57134616	214.05	VYGYGDWGEYDVJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005612
C1=C(C=N1)CNCC(C(F)(F)F)(F)F	PC-id_153945195	214.053	JVJLMNNRWZPVMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005613
CC1=C(C(=S)C1=S)NCCCCN	PC-id_155278536	214.06	OKIAZDNDXIAMRF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005614
CCCNC1=C(C(=S)C1=S)N(C)C	PC-id_153547942	214.06	XLESYYHTQGWONQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005615
P(=O)(OC1=C(C(=O)C1C#N)C#N)(O)O	PC-id_10059081	214.072	MRLVAHOSQIAUIM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005616
CC(C)NC1=C(C(=O)C1=O)NCCS	PC-id_153551281	214.078	LUFHLTSVWFTOBG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005617
CC(=C)C(=O)OOC(=O)C1=C=P(=O)C1	PC-id_140427483	214.112	KIGIBQJHUBPOEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005618
CONC(=O)C1=C(C(=O)C1=O)OC(=O)N	PC-id_141000240	214.132	KEZJYPHZCUCHKH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005619
C1CC(=C1)C(=O)OC(CC(=O)O)C(=O)O	PC-id_87745196,SCHEMBL4897915	214.172	HDXWZIWBPJCNRC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005620
CC(=C1C(=C(C1=C(C)C)CC=C)CC=C)C	PC-id_164887661	214.172	YPMQONXZOWHARF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005621
C1=C(C(C1(CF)CF)(CF)CF)CF	SCHEMBL6152113,PC-id_87949535	214.176	QLHSUPYCIMUOSI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005622
C1=C(C(=S)C1=S)NCCOCCN	PC-id_153333387	216.039	KKDGOGRUUMFSJS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005673
N=CC(=C1C(=O)C(=O)/C/1=C(C#N)/C=N)C=N	SCHEMBL18117588,PC-id_122592249	214.18	GQYLXFIFRBLKIV-WKDMKCHFSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005623
C=CCOC1=C(C(C1=O)(OC)OC)OC	PC-id_101894414	214.215	NELIYFNXWQOYHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005624
C=COCCOC1=CC(C1C(=O)O)(C)O	PC-id_101605151	214.215	NERBRLNHISRVCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005625
COC1=CC(C1)(CC(=O)OC)C(=O)OC	PC-id_90910549	214.215	FRWQZBSFIDGVNH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005626
O(C1=C(C(C1)CC(=O)OC)C(=O)OC)C	PC-id_10846281	214.215	ZWZBBCXKRCOINV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005627
CCSC(=O)OCOC(=O)C1=CC=C1	PC-id_59389131,SCHEMBL13001671	214.238	OYGYKIKJZZCNRG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005628
S=C1C(=C(C1=S)C(F)(F)F)S	SCHEMBL12432504,PC-id_59349718	214.252	KZAQOHDDQNYRIN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005629
CC(OC1=C(C(C1=O)(C)O)OC(C)C)C	PC-id_14140277,SCHEMBL9122346	214.258	IMNVGVQVPSAMOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005630
CCOC(=O)C1=CCC1(OCC)OCC	SCHEMBL12300368,PC-id_10608664	214.258	QPBSDWMRWFJUGD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005631
O(C1(C(=C(OCC)C1=O)OCC)C)CC	PC-id_15272187	214.258	CLHCLBCMVRJRHE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005632
O(C1(OCC)C(=C(C1=O)C)OCC)CC	PC-id_10954901	214.258	SCWDGDIMYSDOII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005633
O(C1(OC)C(=C(CCCC)C1=O)OC)C	PC-id_10375944	214.258	VAFLGKXJAJSUCJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005634
O(C1(OC)C(=C(C(C)(C)C)C1=O)OC)C	PC-id_11148585	214.258	DPSKABFEVIWYSB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005635
OCCCCOC(=O)C1=CC(O1)(C)CC	SCHEMBL19223344	214.258	WGEIJILKJNTSIU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005636
O=C1C(=C(C1=O)C#CCCC)C#CCCC	PC-id_21638243	214.26	XZOSFUQMNAMMJL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005637
O=C1C(=C(CCCC#C)C1=O)CCCC#C	PC-id_24977799	214.26	GUTPCRCQFUTJME-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005638
CCC(COC1=CCC1(CN)C(=N)C)F	SCHEMBL18266824	214.28	IBPICRPEXZVEHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005639
CCC(COC1=C(C)CC1(CN)C=N)F	SCHEMBL18266399	214.28	SHWGPGKTSZPGAA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005640
CCSCNC1=C(C(=O)C1=O)NCC	SCHEMBL18269768	214.285	XXGHJYPLROXACO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005641
NCCOCCNC1=C(C)C(=O)C1=S	SCHEMBL21231025,PC-id_139376803	214.285	XTIKDKFRXQHLJV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005642
SCNC1=C(C(=O)C1=O)NC(C)(C)C	SCHEMBL18772376	214.285	MUGYIFUULUMRBD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005643
CC1C(=C(C1(C)[N+](=CC(C)CO)C)F)C	PC-id_91269193	214.3	LDLWMASHSSKSTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005644
OC(CCCOCC1OC=C1)CCCC	PC-id_22081146	214.301	ZJQWJWULLQYBEZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005645
CCCC(CN1C=CC1(C)C(O)N)CO	PC-id_118447272,SCHEMBL17176422	214.305	FYTSDEOGGKXAED-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005646
CCC(NC(=O)NC1=C(SC1)C)(C)C	SCHEMBL11605028,PC-id_54516561	214.328	YMVAAGWNXIAADD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005647
CCCCN(C1=C(N)C(=S)C1=S)C	SCHEMBL21231234,PC-id_139376981	214.351	VSVXFCBIJWLAGR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005648
CNCCCNC1=C(C)C(=S)C1=S	PC-id_139376699,SCHEMBL21230909	214.351	AEPXEUGKIBRGEC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005649
CN(CCNC1=C(C)C(=S)C1=S)C	PC-id_139376702,SCHEMBL21230912	214.351	CHKVDBNZLPZCKU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005650
CNCCN(C1=C(C)C(=S)C1=S)C	PC-id_139376704,SCHEMBL21230914	214.351	LSQWLKXNQNBSJH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005651
CCCC(C[C@@]1(CC=N1)C(CS)N)C	PC-id_139417410	214.371	KQNCFADLSMTCEW-ILDUYXDCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005652
CCCC(C[C@@]1(CC=N1)[C@@H](CS)N)C	SCHEMBL21276046	214.371	KQNCFADLSMTCEW-ZOCYIJKUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005653
CCCCC1=C(O)OC1(C)[Si](C)(C)C	PC-id_102509948	214.377	DDKFOJKLLUPDHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005654
[Si](OC1=CC(OCC)C1CC)(C)(C)C	PC-id_12563888	214.377	UBDKOGBJDLNWSC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005655
C[Si](C)(C)C1CC(=C1[Si](C)(C)C)O	SCHEMBL9187165,PC-id_88425509	214.452	JVZNYQOVXXJPAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005656
[Si](C1=C([Si](C)(C)C)CC1O)(C)(C)C	PC-id_53751598	214.452	DBNJKCWUFGRGTG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005657
ClC(Cl)(Cl)C(=O)NC1CC=C1	PC-id_86141094	214.477	DVYDNYCOGVDRDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005658
CN(C1=C(Cl)C(=O)C1(Cl)Cl)C	PC-id_95366587	214.477	HMPLVCVJTQJLIO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005659
C[Si]([Si]1(CC=C1)[Si](C)(C)C)(C)C	PC-id_140412985	214.527	XJKQCTFOHUBGSJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005660
COC1=C(C(C1(F)F)(OC)OC)Cl	PC-id_134897919	214.594	MSOYHTWDYDGSOT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005661
ClC1C(=C(CCCC)C1=O)CCCC	PC-id_15647528	214.732	BCBTYYSTORZGNZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005662
ClC1=C([Si](C)(C)C)C(C1=O)C(=C)C	PC-id_11287365	214.764	ZQCHIHTXPOMDGZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005663
CC1=C([I-]C1)Cl	PC-id_147037665	214.913	YUZYGXLRKNHNOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005664
O(C(=O)C1=CC(C1)C(C(C#N)C#N)C#N)C	PC-id_85878446	215.208	ANFUIFJZGMPXKM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005665
CCOC1=C(C(=O)C1=O)SCC(=O)N	PC-id_141329595	215.226	CCTFNMMNSBPQPH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005666
OC1=C([C@@H]([P+]1=O)C(C)(C)C)C(C)(C)C	PC-id_139180633	215.249	PFFXACKHLAINKG-MRVPVSSYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-005667
OC(=C)C(NC1=C(C)C(=O)S1=O)(C)C	PC-id_142310829	215.269	AAFZKWGVYYCBTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005668
CC(C=O)C(=CC=C(C)C)C1=C(C=N1)C=C	PC-id_90069346	215.291	ZYTKHHCXYJAXNT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005669
O=CC(/C(=CC=C(C)C)/C1=NC=C1C=C)C	SCHEMBL15604680	215.291	ZYTKHHCXYJAXNT-NTUHNPAUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005670
ClC1=C(N(C(C)C)C(C)C)C(=O)C1=O	PC-id_13418061	215.677	BPKXAVTXNPTNHI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005671
C1CC(=C1C=NN=C(N)N)Br	PC-id_161257451	216.001	VCCOIDKAVRWTTH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005672
C1(=C(C(=O)C1=O)O)C(C(F)(F)F)(F)F	SCHEMBL12510984,PC-id_88927892	216.062	VTKCRXXDIGDRJX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005674
CCCNC1=C(C(C1=S)S)N(C)C	PC-id_155278398	216.075	GFPYMQUMGCGPEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005675
COC(=O)CCSC1=C(O)C(=O)C1=O	PC-id_102420453	216.211	LLAZFRPZVRWAPP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005676
[Si](C1=C(F)C(F)(F)C1(F)F)(C)(C)C	PC-id_21732138	216.224	QQNFSNPQUSEXJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005677
[Si](C1(F)C(F)(F)C(=C1F)F)(C)(C)C	PC-id_85826664	216.224	ZTAQAGVXBOKONQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005678
O=C1C(=C(CCCC#N)C1=O)CCCC#N	PC-id_85673608	216.236	GELYZLMJLYXTCQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005679
OCCSCCC1=C(C(=O)C1=O)OC	PC-id_101036808	216.254	NQIQXGCCKZOJOH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005680
OC1=C([C@@H](P1=O)C(C)(C)C)C(C)(C)C	7103466_OpenMolecule,PC-id_102522570	216.257	FHPFZZPTARDQFZ-MRVPVSSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005681
P1(=O)C(=C(C1C(C)(C)C)C(C)(C)C)O	CT-id_7103466	216.257	FHPFZZPTARDQFZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005682
O(C1(OC)C(O)C(=C1OC)CCCC)C	PC-id_11820617	216.274	YAKOOEIWSDTIOJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005683
C(C1=CC=C1)(C1=CC=C1)(C1=CC=C1)C1=CC=C1	PC-id_85661967	216.277	YVUAYODRELIVDT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005684
CC1C(C=C1C#N)CC1C=C(C1C)N(C)C	PC-id_137476592,SCHEMBL20717675	216.322	QFZMOEOYZVKXPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005685
CCO[Si](C1=CCC1)(OCC)OCC	SCHEMBL1938865,PC-id_21915770	216.35	TUCXJNLELWQJRZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005686
CCCCCC1=CC(=C1)CC(=C)C1CCC1	PC-id_143683065	216.362	LRPXPYQSMQZLCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005687
ClC1=C(C(C)(C)C(=O)OC)C(=O)C1=O	PC-id_10262784	216.618	NPCOQPBDBJHHLD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005688
ClC1=C(C(C)C(=O)OCC)C(=O)C1=O	PC-id_11820642	216.618	FHHBVDDMYGFVJB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005689
C1(=C([C@H](C)[C@@H]1C)Cl)C(=O)C(=O)OCC	MCULE-4048676214,PC-id_53275076	216.661	OPBUVBKKLBUHPV-NTSWFWBYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005690
C=CC(C1(O)C(=O)C(=C1OC)Cl)(C)C	PC-id_101639122	216.661	LBRCYNRSFDUAEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005691
CCOC(=O)C(=O)C1=C(C(C1)(C)C)Cl	PC-id_102577427	216.661	AMZGVAMEPBMHOJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005692
CCOC(=O)C(=O)C1=C([C@@H]([C@H]1C)C)Cl	PC-id_102577428	216.661	OPBUVBKKLBUHPV-PHDIDXHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005693
CCOC(=O)C(=O)C1=C(Cl)CC1(C)C	PC-id_102577426	216.661	LLPLHQJYRYDWEV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005694
ClC1=C(C(C1C)C)C(=O)C(=O)OCC	PC-id_75998086	216.661	OPBUVBKKLBUHPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005695
ClC1=C(C([C@H]1C)C)C(=O)C(=O)OCC	PC-id_53275077	216.661	OPBUVBKKLBUHPV-PRJDIBJQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005696
ClC1C(=C(CCCC)C1=O)OC(C)C	PC-id_11020321	216.704	MROYYUKMUGJVDC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005697
[Sn](C1CC=C1)(C)(C)C	PC-id_85933672	216.887	QUPCQZJLWSQIQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005698
CC(C1=C(C(=B1)C(Cl)Cl)C(C)C)C	SCHEMBL3887679	216.943	WQFBXTLHYKDYFB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005699
ClC(C1=C(B=C1C(C)C)C(C)C)Cl	PC-id_145861932	216.943	OZGWZIPTJVDACF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005700
C1=C(C(=O)C1=O)NCCCBr	PC-id_153809710	216.974	RSROKDWSUYMJLR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005701
C(C[P+](=O)O)NCC1=C(C(=O)C1=O)N	PC-id_153877926	217.037	DBHPNYCBTFTAHR-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-005702
ClC1(Cl)C(=CC1=O)CCCCC#C	PC-id_10036279	217.092	RXNPJEMBWCSQBH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005703
ClC1(Cl)C(=O)C(=C1)CCCCC#C	PC-id_11820645	217.092	UQYQCKWQDRLHHP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005704
S(C[C@H](N)C(=O)O)C1=C(O)C(=O)C1=O	PC-id_44179608	217.199	INSZYVVBPYVYJQ-REOHCLBHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005705
SCC(NC1=C(O)C(=O)C1=O)C(=O)O	PC-id_85595082	217.199	KAGIWKBBQSFAPR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005706
S(CC(N)C(=O)O)C1=C(O)C(=O)C1=O	PC-id_74941842	217.199	INSZYVVBPYVYJQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005707
SC(NC1=C(OC)C(=O)C1=O)C(=O)O	PC-id_13764831	217.199	XFAXBLXATZASDN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005708
O(CCCC)C1=C([O-])C(=O)/C/1=C([N+]#[C-])/C#N	PC-id_58915161	217.201	BYURMQWKZVOOJD-BQYQJAHWSA-M	00001100000000000000000000000000000000000000000000000000	06-01-005709
O(CCCC)C1=C([O-])C(=O)C1=C([N+]#[C-])C#N	PC-id_72461371	217.201	BYURMQWKZVOOJD-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-005710
[O-]C1=C(C(=O)C1=CC=C(C)C)/C=C/C(C)C	PC-id_57998590	217.284	IYVUHFIDIOLDQH-PMEZZHSESA-M	00001100000000000000000000000000000000000000000000000000	06-01-005711
[O-]C1=C(C(=O)C1=CC=C(C)C)C=CC(C)C	PC-id_76700323	217.284	IYVUHFIDIOLDQH-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-005712
CCCC1=C(C(S1(=O)=O)(C)C)N(C)C	PC-id_134987504	217.328	LVNFGEIZIKVDRE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005713
CCC1N=C(C1C)[Si](OC)(OC)OC	PC-id_141114085	217.338	FQBGCWYNYQJJGJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005714
C=CCCCCCCCNC1=CC(=C)C1=C	SCHEMBL20760277,PC-id_137514965	217.35	HWMSFIBQRQRQMJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005715
BrC1=C(Cl)CS1(=O)=O	PC-id_13168977	217.469	OUISZXNKJKVKJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005716
C[C@@H](CC(=O)C1=C(Cl)N=C1C(=O)O)O	SCHEMBL17781977,PC-id_121362390	217.606	YPLNDJFAGGMGCI-VKHMYHEASA-N	00001100000000000000000000000000000000000000000000000000	06-01-005717
CCOC(=O)[C@]1(C#CC1C(F)F)C(=O)O	PC-id_154946331	218.039	UKFMNKNIXGEPHG-YQFNKJDISA-N	00001100000000000000000000000000000000000000000000000000	06-01-005718
C1(=C(C(=O)C1=O)C(F)(F)F)C(F)(F)F	PC-id_91884026	218.053	PUFNIHBNSJBGMW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005719
CC1(C=CC1C(C(F)F)(C(F)F)F)F	PC-id_154986931	218.053	JPIKHOKLHAIJLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005720
CC1C=C(C1C)/C(=CC=C/N=CN)/C(C)C	PC-id_164882412	218.178	MVFCOEJRYKZENC-YXBSEFFXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005721
FS(=O)(=O)C1C=CC1S(=O)(=O)F	SCHEMBL21215031,PC-id_139363316	218.199	UPEJWAZOIRBOKW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005722
O(C1=C(OCCC#C)C(=O)C1=O)CCC#C	PC-id_71393222	218.205	OXNLJXLUWXBPMX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005723
CC(C)(C)OC1=C(C(=O)C1=C(C#N)C#N)O	PC-id_92009713	218.209	VKYZIJBGQIDVCK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005724
CCCCOC1=C(C(=O)C1=C(C#N)C#N)O	SCHEMBL14470869,PC-id_87431885	218.209	MWVAKLNAOJRWRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005725
CCCCOC1=C(C(=O)C1=O)C(=C=N)C#N	PC-id_136339583	218.209	QGOBWYJYJWKWMT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005726
CCCCOC1=C(C(=O)C1=O)C(=C=N)[N+]#[C-]	PC-id_136164010	218.209	HYYJJOGDRBVIPB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005727
O(CCCC)C1=C(O)C(=O)/C/1=C([N+]#[C-])/C#N	PC-id_58915162	218.209	BYURMQWKZVOOJD-BQYQJAHWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005728
O(CCCC)C1=C(O)C(=O)C1=C([N+]#[C-])C#N	PC-id_72461372	218.209	BYURMQWKZVOOJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005729
N#CCCNC1=C(NCCC#N)C(=O)C1=O	ZINC22_101020894,PC-id_4663303,MCULE-4081083843	218.212	FHYQBGZZERERDM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005730
CCOP(=O)(OCC)C1=C(CC)CC1	PC-id_276084,LI_138737,CoCoCo_5450785,ZINC22_1713086,NSC123324	218.23	BNDQEBHAEKUCLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005731
CCS(=O)(=O)NCC1=C(N)C(=O)C1=O	PC-id_142659106	218.23	AKGFXAFNRCESSN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005732
P(=O)(OC(C)C)(OC(C)C)C1=CCC1	PC-id_10704016	218.23	KABQXHVHJWDTOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005733
CNCC1(C=N)CC=C1OCC(F)(F)C	SCHEMBL18266826	218.244	IZPIQTGDOPRRBM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005734
COC(=O)C(S(=O)(=O)C)C1CC=C1C	PC-id_101287908	218.27	NNSMMPSIYJFFGA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005735
S1(=O)(=O)CC(=C1)NC(=O)NC(C)(C)C	PC-id_20373747	218.273	LCLCXAFMNOHKRE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005736
CC(/C=C/C1=C(O)/C(=C/C=C(C)C)/C1=O)C	SCHEMBL13566311	218.292	IYVUHFIDIOLDQH-VRGHMPIDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005737
OC1(C(=C(C1=O)C#CCCCC)C)CC=C	PC-id_10751315	218.292	DMGWFIIVRUSJMO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005738
OC1=C(C(=O)C1=CC=C(C)C)/C=C/C(C)C	PC-id_57998591	218.292	IYVUHFIDIOLDQH-PMEZZHSESA-N	00001100000000000000000000000000000000000000000000000000	06-01-005739
OC1=C(C(=O)C1=CC=C(C)C)C=CC(C)C	PC-id_76700324	218.292	IYVUHFIDIOLDQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005740
[Si](OC)(OC)(OC)C1(CC(=C1)F)C=C	PC-id_20760664	218.298	WQPHPWNVYFICBQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005741
O=CC1C(=C(/C/1=CC(=CC)C)C(C)(C)C)C	PC-id_101081675	218.335	HQDUWOLOXLNEMA-NFZZJPOKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005742
O=CC1C(=C(/C/1=C/C(=C/C)/C)C(C)(C)C)C	PC-id_101081685	218.335	HQDUWOLOXLNEMA-SMTGYRLFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005743
O=C(C(CC1CC=C1C)(C)C)/C=C/C(=C)C	PC-id_5368911	218.335	DKKDMZZWALQHOK-RMKNXTFCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005744
O=C(C(CC1CC=C1C)(C)C)C=CC(=C)C	PC-id_565268	218.335	DKKDMZZWALQHOK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005745
C1(=C(CCCCC)C(=C)C1=C)CCCCC	PC-id_14291121	218.378	XIBDZBDLASSHLU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005746
CCCC1C#CC1CCCCC(=CCC)C	PC-id_91203719	218.378	OOSGIKQBTTXPNN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005747
CCCCCCC#CC1=CC(C1(C)C)(C)C	PC-id_138981885	218.378	SQDKPMMXCDBRKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005748
CC(OC1=C(Cl)C(C1(F)F)(F)F)C	SCHEMBL9320412,PC-id_19911063	218.576	PWLZBFKVDKJLRV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005749
FC(C(C(F)F)(OC1CC=C1)Cl)F	PC-id_140359701	218.576	KVXIQIOCYUERKX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005750
O=CC(C1(O)C(=O)C(=C1OC)Cl)(C)C	PC-id_101639126	218.634	JBWYQHTXCNLOSV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005751
C=NC1=CC(=C1)[I]=C	PC-id_163996361	218.954	UFAOOBIORJJGOM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005752
BrCCC1=C(C(=O)C1=O)OC	PC-id_101036807	219.033	IHCUPFQYSLWQBE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005753
P(=O)(O)(O)CCCC1=C(N)C(=O)C1=O	PC-id_10242526	219.132	HFDCVBUMVDTOLL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005754
C1=CN=C1C(=O)NNCCS(=O)(=O)O	PC-id_90190079,SCHEMBL15757925	219.218	CKEKZQVOAQVJAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005755
CCOP(=O)(C1=C(CC1)NC)OCC	PC-id_145997436	219.218	XNXGOYJEVKKHTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005756
CC/C=NC(=C/C(=C)C1=C(O)C(=O)C1=O)C	SCHEMBL18677213	219.237	PFMYQZIWHLPTCF-OXXHYEILSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005757
CC/N=C(C=C(C1=C(O)C(=C)C1=O)/CC)/C	SCHEMBL18677244	219.28	OTUDKKXFHGNZDL-OGBNRGGWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005758
CC/C(=C(/C1C=CC1N)C[C@H](C(=C)C)C)/C	SCHEMBL18451381	219.366	SQBVIQYLRKUGPB-JDLLZOMASA-N	00001100000000000000000000000000000000000000000000000000	06-01-005759
CCSC1(CC=C1)S/C(=NC)/S	PC-id_89217326,SCHEMBL13979691	219.391	JULRITAMCWDUDI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005760
C1C=CC1(C(Cl)Cl)C(Cl)Cl	PC-id_90300598,SCHEMBL15899438	219.924	UPWWVFCJRUXKFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005761
CC1=C(C)C(C1(Cl)Cl)(Cl)Cl	PC-id_119098646	219.924	KILGHZHWZXRGDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005762
FC1(C(F)(F)C(=C1)OC=O)C(F)(F)F	PC-id_23164120,SCHEMBL9859754	220.069	PEZKNNHFHCKDBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005763
S(=O)(=O)(F)OC1=C(F)C(=O)C1(F)F	PC-id_71387386	220.099	JUDPQMILCPMXOJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005764
CN(C1=C(N)C(=O)C1=O)CP(=O)(O)O	SCHEMBL9203256	220.12	YVHWSBVLOBEJQO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005765
NC1=C(NCCP(=O)(O)O)C(=O)C1=O	PC-id_10220083,SCHEMBL2153222,CHEMBL83688	220.12	XFAHIODKMNWZPL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005766
O=C1C(=C(C1=O)CNCP(=O)(O)O)N	SCHEMBL9203252,PC-id_19738180	220.12	QJGONWXMHNMVQF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005767
O=C1C(=C(C1=O)CN(P(=O)(O)O)C)N	PC-id_142633986	220.12	LBFZOVZBUIRGCQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005768
OP(OCCNC1=C(N)C(=O)C1=O)O	SCHEMBL13351689,PC-id_70885117	220.12	LTXGOFOHHNRLHX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005769
CC1C(=C(N1C)C)C(C)NC2(COC2)C#C	PC-id_155204502	220.158	RHPXRBLKBMRDLI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005770
[Na+].C1(=C(C(=O)C1=O)N)NCCCC(=O)[O-]	CHEMBL141434	220.158	YODINUQNHUIZJN-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-005771
[Na+].C
(=NCCC(=O)[O-])/C(=N/C)/C(=C1O)O	CHEMBL141318	220.158	PSKZJXUJGQTGGE-ORGSIGRGSA-M	00000100000000000000000000000000000000000000000000000000	06-01-005772
CCCCC(CCCC)C=CC1=CCC1=O	PC-id_154242072	220.183	LYKBPGILZUGBAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005773
S(=O)(=O)(O)CNC1=C(NC)C(=O)C1=O	PC-id_20712512	220.203	SRWZDNCYACIBES-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005774
OC1(C(=C(OC)C1=O)OC)C#CCCC#C	PC-id_85644890	220.221	BHDDZXSPXZJYJJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005775
OC1(C(=C(C1=O)C#CCOC)CCC=C)C	PC-id_10704158	220.264	UMGMZSZSDHYDMD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005776
OC1(C(=C(C1=O)C=C)OC)C#CCCCC	PC-id_14415860	220.264	NBRQFKAJURBWDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005777
O(C(C)C)C1=C(C(=O)C1=O)C#CCCCC	PC-id_10585007	220.264	PDUWVBATKIIWOK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005778
CC1(C=C(C1(C)C#CC#CCCCO)F)C	PC-id_134394806,SCHEMBL20025406	220.283	KMFWVAMLFFLKBJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005779
C1CC(C1)C(C1CCC1)(C1CC=C1)C(=O)O	PC-id_88569731	220.307	VTCOZRBRPQZKMH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005780
CC1=COC1CC(C)(C)C(=O)C=CC(=C)C	PC-id_91982688	220.307	GHSVTLQPKDKZDT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005781
CO/C(=C/C1=C(CC1=O)CCC=C(C)C)/C	PC-id_101032669	220.307	PVBBJSJXUODLJN-DHZHZOJOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005782
CO/C(=CC1=C(C)C(C1=O)CC=C(C)C)/C	PC-id_101032667	220.307	TYWNLQJNAVABCS-NTMALXAHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005783
O(C1C(=C(C1=O)C=C(C)C)CC/C=C/C)C	PC-id_10489124	220.307	HOCVQRCHMAOHJD-AATRIKPKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005784
O(C1C(=C(C1=O)C=C(C)C)CCC=CC)C	PC-id_10585018	220.307	HOCVQRCHMAOHJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005785
O(C1C(=C(C1=O)C=C(C)C)CCC(=C)C)C	PC-id_10608959	220.307	SPASLWKQAOHMBU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005786
O=C1/C(=C(/CCC)C)/C(=O)/C/1=C(/CCC)C	PC-id_86041131	220.307	QKIZDVNVEWVEQV-DSOJMZEYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005787
OC(=O)C([C@@H]1CC=C1)(C1CCC1)C1CCC1	SCHEMBL10127577	220.307	VTCOZRBRPQZKMH-JTQLQIEISA-N	00001100000000000000000000000000000000000000000000000000	06-01-005788
CC[C@@H](CC#N)NC(=O)C1=C[C@](C)(CC)C1	ZINC22_1775997368	220.311	CTMSCWXRBCHUHV-AAEUAGOBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005789
CC[C@H](CC#N)NC(=O)C1=C[C@@](C)(CC)C1	ZINC22_1775997372	220.311	CTMSCWXRBCHUHV-DGCLKSJQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005790
CC[C@@H](CC#N)NC(=O)C1=C[C@@](C)(CC)C1	ZINC22_1775997373	220.311	CTMSCWXRBCHUHV-WCQYABFASA-N	00001100000000000000000000000000000000000000000000000000	06-01-005791
CC[C@H](CC#N)NC(=O)C1=C[C@](C)(CC)C1	ZINC22_1775997375	220.311	CTMSCWXRBCHUHV-YPMHNXCESA-N	00001100000000000000000000000000000000000000000000000000	06-01-005792
CCC(NC(=O)C1=CC(C1)(C)CC)CC#N	EMOLS-id_320352640,MCULE-3968604511	220.311	CTMSCWXRBCHUHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005793
CCCCC1=C(C2(C1)OC12CC1)CCCC	PC-id_101756695	220.35	YKQAGZHIQCTKJJ-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-005794
CCCCCCC1=C([C@@H]([C@H]1C)C(=O)C)C=C	PC-id_102109580	220.35	RUYBFXOVTNZRFM-NHYWBVRUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005795
OCC1C(=C(/C/1=C/C(=C/C)/C)C(C)(C)C)C	PC-id_101081684	220.35	LTFPUAPWRYWIND-SMTGYRLFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005796
OCC1C(=C(/C/1=CC(=CC)C)C(C)(C)C)C	PC-id_101081690	220.35	LTFPUAPWRYWIND-NFZZJPOKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005797
CCCS(=O)(=O)CCSC1=CCC1	SCHEMBL14262635,PC-id_59683415	220.352	DLBXWCMSSMVVCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005798
N(C(C)(C)C)C1=C(NC(C)(C)C)C(=C)C1=C	PC-id_23624504	220.354	NMYURDLFMSYDOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005799
S1(=O)(=O)C(=C(OCC)C1)[Si](C)(C)C	PC-id_15486747	220.361	PODACPTVGSSBQT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005800
C1(=C(CC1)CCCCC=C)CCCCCC	PC-id_56980426	220.394	XPLZQKXZTYEGTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005801
C1(=C(CC1)CC)CCCCCCCCC=C	PC-id_57311443	220.394	FEVNQRHPNUFRKD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005802
C1(=C(C(C)(C)C)C=C1C(C)(C)C)C(C)(C)C	PC-id_12450539	220.394	OPLCGZBUWODHBT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005803
CC1CC(=C1C(C)(C)CC1C(C1(C)C)C)C	PC-id_91492183	220.394	DNWXNHJHSFKMPW-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-005804
CCCCC1=C(CC1)CCCCCCC=C	PC-id_91313127	220.394	KVPHRHRMKIXMFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005805
C1(=C(C(=N)C1=N)I)N	PC-id_88927877,SCHEMBL12510921	220.999	CELVCINSYJIZEF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005806
[I-](C(=O)C1=CC=C1)C	PC-id_58916381	221.016	VTWCZYJVMKMSCN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005807
I/C=C
/N=CC1(C)C	SCHEMBL19646183	221.039	IVEPTIWXJKBHPR-HWKANZROSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005808
CNC(=O)C(=O)NC1=CN[C@@H]1OC(F)F	PC-id_163725387	221.061	KVCDMRQVYFKXFW-ZCFIWIBFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005809
ClC1=C(Cl)C(=O)C1(O)C(C)(C)C=C	PC-id_10242606	221.08	SYDKHMKWEPUKJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005810
ClC(=CCC(C1=CCC1)C(=O)O)Cl	PC-id_57095878,SCHEMBL10987971	221.081	MWEWYGQGGVQHQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005811
OC(=O)C(C1CC=C1)CC=C(Cl)Cl	SCHEMBL10987973	221.081	RSOWEDYQDJEFTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005812
BrCCCCOCC1=COC1	PC-id_68250244,SCHEMBL12337185	221.092	GCWIKAZCXSVTRE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005813
ClC1(C(=C(Cl)C1=O)CCC)CCC	PC-id_85539210	221.124	HSUHXHXTEMFGIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005814
ClC1(Cl)C(=C(C1=O)CCC)CCC	PC-id_13840279	221.124	ACHWBRTTWXFZNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005815
CC(N(C1=C(C(=O)C1=O)C(F)(F)F)C)C	PC-id_57982034,SCHEMBL13604859	221.176	WEPGYZHVSLGWKZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005816
Cl[Si]1(Cl)C(C(=C1C)C(=C)C)CC	PC-id_54447204	221.199	WSIYGSLHLPCQJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005817
CCC(C)CC1CC1CCC1=C(CC1N)C	PC-id_163948693	221.214	RXJZVVQDYCYEFC-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-005818
FC(F)(F)C(=O)C1=C(N(C)C)CC1(C)C	PC-id_71670549	221.219	SJQYXORZXOYBDR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005819
N#C/C=C/1C(=O)C(=C1OC(C)C)OC(C)C	PC-id_102091994	221.252	BUKTWKMWSGNGGJ-WEVVVXLNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005820
O(C1=C(OC(C)C)C(=O)C1=CC#N)C(C)C	PC-id_85749050	221.252	BUKTWKMWSGNGGJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005821
CC(=C)CN(C1=C(C(=O)C1=O)C(C)(C)C)C	PC-id_88275997,SCHEMBL8294833	221.295	NYNGDXOLJXLQQN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005822
CCCCOC(=O)C1CC(=C1)CCCC#N	EMOLS-id_337902611	221.295	HYDGEQWNCLNMBV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005823
CCN(C1=C(C(=O)C1=O)C(C=C)(C)C)CC	PC-id_101639149	221.295	DETKUNRSKWFZMN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005824
O=CC1=NC(=C1CC(C)(C)C)CC(C)(C)C	PC-id_142772924	221.339	ZTHUCBRRVQLUNP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005825
C/C(=C(/C(C)(C)C)NC1=CCC1)/C(C)(C)C	SCHEMBL18584144	221.382	YIVYBSORLPZBEV-ACCUITESSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005826
CC(C(=C(C)C)N1C(C)C(=C1C)C(C)C)C	SCHEMBL19272660	221.382	HWSNYMVXEZHIGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005827
N1=C(C(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_13661469	221.382	IWGHPWBWQYOSTP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005828
C1([C+](C(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_86161404	221.401	KSGZLNDNQVEBLA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005829
CCC[C-]1C(CCC)C(=C1CCC)CCC	PC-id_139161898	221.401	KQSUMJIWXIOFPN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005830
C1CC(=C1)CCCI	PC-id_89019666,SCHEMBL13109301	222.067	JZRFCLDNZBQGRQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005831
CC1C=CC1CCI	SCHEMBL12125028,PC-id_88882517	222.067	SAOHRZKEXGCXRG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005832
CCC1=CCC1CI	PC-id_89884493	222.067	ZLUYBCKHAYBZQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005833
CCC1=C(CC1)CI	SCHEMBL12828901,PC-id_88965529	222.067	DPOTZIBXCBMOPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005834
IC[C@@H]1CC=C1CC	SCHEMBL15363390	222.067	ZLUYBCKHAYBZQM-ZETCQYMHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005835
ClC1(C(=C(Cl)C1=O)N(CC)CC)C	PC-id_12614354	222.112	AUSMSYJRDAYFSG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005836
O=C(SC1=CC=C1)CC(=O)C(F)(F)F	PC-id_102266506	222.184	NLZYVMSRMVAZNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005837
C=CCOC(=O)C1(CC=C1)C(=O)OCC=C	SCHEMBL20183945,PC-id_134537635	222.237	PQKXQMBAFQTIFA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005838
C=CCOC(=O)C1=C(CC1)C(=O)OCC=C	SCHEMBL20183947,PC-id_134537637	222.237	SGOJOMKXONZXHX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005839
C=CC(=O)OCCCCOC(=O)C1=CC=C1	PC-id_144440832	222.237	GJWSUEBAFBBQMI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005840
O(C1=C(OCCC=C)C(=O)C1=O)CCC=C	PC-id_71392846	222.237	JTRBFAANSBXELM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005841
O(C1=C(OCC=CC)C(=O)C1=O)CC=CC	PC-id_71393223	222.237	UMCFOYLPCAAWNZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005842
CCCCC1=C(CC1)C(=O)OC(=O)C(=C)C	PC-id_91013895	222.28	ACFJUEBZLFMSSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005843
CCCC#CC1(O)C(=C(C1=O)OC(C)C)C	PC-id_101105449	222.28	ZUBJGVLMCAZBDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005844
CCCC#CC1(O)C(=O)C(=C1OC(C)C)C	PC-id_101660942	222.28	ZOLMHMNBDKCGPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005845
CC(C)OC1=C(C(=O)C1=O)/C=C/C(C)(C)C	PC-id_134977798	222.28	HFJBFYXKIAZETM-VOTSOKGWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005846
O(C1=C(CC1)C#CC1CC1)COCCOC	PC-id_12510934	222.28	BMHSTRPRGKKNCT-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-005847
O(C1(OC)C(=C(C1=O)C)C#CCCCC)C	PC-id_10799060	222.28	KUFZHJJUWXTLBX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005848
CC1(C(C=C1N)CC1=CC(=C1OC)N)OC	PC-id_137476596,SCHEMBL20717679	222.284	XLIBSYUWOWJRHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005849
CCN(C1=C(C(=O)C1=O)NCCC(=C)C)C	PC-id_139376789,SCHEMBL21231011	222.284	RXTKNYYIPUFBEY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005850
CN(C1=C(C(=O)C)C(=C1C(=O)C)N(C)C)C	PC-id_121014338	222.284	TVMSQYNTCOOJIA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005851
CN(CCCNC1=C(C(=O)C1=O)C(=C)C)C	SCHEMBL21230864,PC-id_139376655	222.284	CSXGYDYWTCEEPG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005852
[Si](C)(C)(C)C#CC1=C(OCC)C(=O)C1=O	PC-id_13830794	222.313	QIXSKXCGNSRZOK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005853
CCCCC#C[C@]1(O)C(=C([C@@]1(C)OC)C)C	PC-id_101660410	222.323	ZAKUXRQYZUNVNQ-KGLIPLIRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005854
C=CCCCCCCCCC1=C(C(=O)O1)C	PC-id_70352413,SCHEMBL10368774	222.323	DYIJXJQENMGQLF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005855
O=C1C(=CC1=O)CCCCCCCCCC	PC-id_15320281	222.323	XCABVPDDBAPHDM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005856
O([C@@]1([C@](O)(C(=C1C)C)C#CCCCC)C)C	PC-id_10353513	222.323	ZAKUXRQYZUNVNQ-UONOGXRCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005857
O(C1(C(O)(C(=C1C)C)C#CCCCC)C)C	PC-id_85119362	222.323	ZAKUXRQYZUNVNQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005858
OCCC1OC(=C1C)/C=CC(=C)C(C)(C)C	PC-id_143024475	222.323	CNOGRRFBODLOCM-SREVYHEPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005859
CCC(CC1=CC(=O)C1)CCCC(CC)C	PC-id_21399140,SCHEMBL11689047	222.366	WADFUXITJWVSGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005860
CCCCC1C(=O)C(=C1C(C)C)C(C)(C)C	PC-id_101791418	222.366	OSVGOHLUZJIUPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005861
CCC(C(CCCC1=C(C(=C1)C)C)O)CC	PC-id_144517270	222.366	ZUOXBSNSWRQFDH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005862
O=C1C(C(=C1CCCCC)C)CCCCC	PC-id_24977427	222.366	FZRQJHIWGHDZDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005863
C1(C(=C(C1)CCCC)CCCC)CCCC	PC-id_20470190	222.409	TUHZTHSUZFSPQV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005864
CCCCCCCCCCCCC1CC=C1	PC-id_101019138	222.409	RVRXUULPMVSBSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005865
CCC(C)C(C)CCC(C)C(C)C1=CCC1	PC-id_91137859	222.409	FJPXNJKHESXREB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005866
[Si](C1=C([Si](C)(C)C)C(=C)C1=C)(C)(C)C	PC-id_15892867	222.474	WGINWTIPVGJHLG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005867
BrC1=C(F)C(F)(F)C1(F)F	PC-id_12524759,SCHEMBL2137624	222.939	KEMXVLKUANCAER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005868
FC1=C(F)C(C1(F)Br)(F)F	PC-id_100989376	222.939	IUBNJCLJRCGBKK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005869
NC1=C(I)C(=O)C1=O	SCHEMBL18901436	222.969	QWAHMOXCBNKVHS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005870
CC1=C(CC1)N(C)I	PC-id_164044507	222.986	VTBNWTLQQNRYTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005871
IC1=C(CC1)NC=O	PC-id_117800621,SCHEMBL16372257	223.012	TZTPPYMLWXIKFA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005872
ClC1(Cl)C(=CC1=O)CCOC(=O)C	PC-id_15324729	223.053	LWSNRTZUOHKQLU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005873
O=CC(C1(O)C(=C(C1=O)Cl)Cl)(C)C	PC-id_101639115	223.053	SDFIQZSYIFVLMI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005874
C[C@@]1(C=CC1(C)CC(C)(C)C#N)OCOC	PC-id_163885562	223.157	PXADKUFIAINKIC-ABLWVSNPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005875
CC1=C(C(=O)C1(Cl)Cl)[Si](C)(C)C	SCHEMBL9232840,PC-id_15576010	223.172	DUFICWIDCTUHOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005876
CCOC1=C(C=C)C(=O)C1(OCC)N=[N+]=[N-]	PC-id_101083402	223.229	OBLJLENDFIKJAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005877
CCOC(=O)C(=O)CC1=CN=C1C(C)(C)C	PC-id_138690103,SCHEMBL21063820	223.268	WBXXTQZZWVVIRG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005878
O=C1C(=C(N(CC)CC)C1=O)C(C)(C)C=O	PC-id_10036540	223.268	OTUFWMDCURDIOW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005879
CC(=O)C1C(=C(C1=[N+](C)C)C(=O)C)N(C)C	PC-id_134898025	223.291	YOBPQVZADUPPBT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005880
CCCCCCCCCNC1=CC(=O)C1=O	SCHEMBL8562359,PC-id_88322343	223.311	DTZDNZYGHOXWCW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005881
CC(CN(C1=C(C(=O)C1=O)C(C)(C)C)C)C	PC-id_59832917,SCHEMBL8293500	223.311	UBLBOBIGLCLHCK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005882
CCO/C(=CC)/[C@@H](C(C)C)NC1=CC(=O)C1	PC-id_142810282	223.311	RRYTYHMVEZIMBS-QWGHSUKYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005883
CCCCCN(C1=C(C(=O)C1)C(C)(C)C)C	PC-id_143357444	223.354	QEYDASQRCHUBKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005884
O=C1C(C(C)(C)C)C(=C1C(C)(C)C)N(C)C	PC-id_85772435	223.354	QFKOEICDKBPRQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005885
O=C1C(C(C)(C)C)(C(=C1C)N(CC)CC)C	PC-id_10977083	223.354	OISKVNBZISYKQT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005886
[N+](=C1C(C(=C1C)N(CC)CC)C)(CC)CC	PC-id_13400942	223.378	CZMKKOQTQRBMBM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005887
CCC(C(C)C)CC(C1(CC)CC=C1)CN	SCHEMBL18402976	223.397	ZHMOXPVIOHUWPE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005888
CCCCCCC1=CC(=C)C1([2H])[Si](C)(C)C	PC-id_101131815	223.448	FTPOBGSRNZCKON-FCFVPJCTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005889
C1(=C(C(=O)C1=O)I)O	SCHEMBL12510705,PC-id_88927796	223.953	SNUYZYGGVUOKDX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005890
CC[I-]NC1CC=C1	PC-id_163582391	223.994	HSQVTOJXIYXUSQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005891
C1=C(C(C1(F)F)(F)F)OCC(F)(F)F	PC-id_161985282	224.007	YQEQZEXMLHCVSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005892
FC1(F)/C(=C(/F)C(F)(F)F)/C(=C1F)F	PC-id_10421168	224.051	YKQXNFVBKSNPLT-HNQUOIGGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005893
FC1(F)/C(=C(F)/C(F)(F)F)/C(=C1F)F	PC-id_10466182	224.051	YKQXNFVBKSNPLT-IWQZZHSRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005894
FC1(F)C(=C(F)C(F)(F)F)C(=C1F)F	PC-id_85138761	224.051	YKQXNFVBKSNPLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005895
FC1(F)C(=C(F)F)C(=C1F)C(F)(F)F	PC-id_593451	224.051	IUXLZGVMGNFAJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005896
CCCCNC1=C(C(=O)C1=O)NCC1CO1	PC-id_163888070	224.116	PZDHRBGMJQMYKG-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-005897
CC(C)CCCCN(C)C1=C(C(=O)C1=O)N	PC-id_153551394	224.152	GZUBHFZJSRFKPW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005898
CCCCN(C)C1=C(C(=O)C1=O)N(C)CC	PC-id_153333392	224.152	YXFUOFSIBMQRHK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005899
CCCN(C)C1=C(C(=O)C1=O)N(CC)CC	PC-id_153333300	224.152	WVDDJHGHIUNJAN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005900
CCCN(C)C1=C(C(=O)C1=O)NC(C)(C)C	PC-id_153551245	224.152	SWYPAFQABFWTOU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005901
CCCN(C)CCCCNC1=CC(=O)C1=O	PC-id_153551405	224.152	RSTIMMBCOPCOMK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005902
CCCN(CC)CCNC1=C(C(=O)C1=O)C	PC-id_155281053	224.152	PESWJNGLVIXKGR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005903
CCCN(CC)CCN(C)C1=CC(=O)C1=O	PC-id_153333311	224.152	FVYZEPCLWVIAFM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005904
CCN(C)CCCCNC1=C(C(=O)C1=O)C	PC-id_153551255	224.152	YCELKMPZNYEZHH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005905
CCN(CC)CCCNC1=C(C(=O)C1=O)C	PC-id_155278222	224.152	KHUVZSFAJFAGMY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005906
C1(C)(CC(=C1C(C(F)(F)F)O)C(=O)O)C	PC-id_46844925,MCULE-8853961478	224.177	QYMJSMPJTVZEFQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005907
CCC1C(=C(C1=O)CC)OC(C)(C)C(C)C	PC-id_161102954	224.178	USLPKLXECFGLJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005908
CCC1C(=C(C1=O)OC(C)(C)C(C)C)CC	PC-id_161102953	224.178	SKCRAHRFAVGNPD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005909
CC=C1C(=O)C(=CC=C(C(=O)OC)F)C1=O	SCHEMBL14962630,PC-id_89577546	224.185	NGOOGQXOZDYKNI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005910
OC(=O)C(=CC1=C(CC1)C(=O)O)CC1CO1	PC-id_117605961,SCHEMBL16116413	224.21	QXBVZDKGKMQOKT-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-005911
C=C(C)CN(CC(=O)O)C1=C(N)C(=O)C1=O	SCHEMBL9201944,PC-id_10443598,CHEMBL143738	224.213	IBFIYYVNUZTZHQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005912
OC(=O)CN(C1=C(N)C(=O)C1=O)C=C(C)C	PC-id_139882180	224.213	ZHYWFFPTHDPQBC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005913
CC(C)OC1=C(C(=O)C1=O)C(C)(C)C(=O)C	PC-id_134957625	224.253	PBCIEZXNUIVZGU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005914
OC1(C(=C(OC)C1=O)OC)C#CCCCC	PC-id_14169194	224.253	ZQRJAIKQKFZHBH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005915
O(C1=C(OC(C)C)C(=O)C1(O)C#C)C(C)C	PC-id_14140300	224.253	JWBZJWJLLIMMPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005916
O(C(=O)C1=C(CC1(C)C(=C)C)C(=O)OC)C	PC-id_11229833	224.253	SRONNEJFRHQXCG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005917
CC(CCNC(=O)CC1=C(N)C(=O)C1=O)C	PC-id_142659109	224.256	CXDLILXVEHEAOY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005918
CCC(=O)NC1=C(C(=O)C1=O)NCC(C)C	SCHEMBL20711382,PC-id_137470803	224.256	QBHSQCDVRDLOBB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005919
CNNC1=C(/C(=N/NC)/C/1=NNC)N=NC	PC-id_137316170	224.266	ODXBSSYKGILJOY-UWEMAJSRSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005920
S(C1=C(SCC)C(=O)C1(F)F)CC	PC-id_12633354	224.291	XURUPMXJWCIUQD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005921
OC1=C(C(C(C)(C)C)C(C)(C)C)C(=O)C1=O	PC-id_21058203	224.296	HLSHFBMCPRXJLM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005922
O(C1=C(C(=O)C1(O)CCCC)C=C)C(C)C	PC-id_9991204	224.296	XVWHBRDJFRYJNM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005923
O(CCCCCCCC)C1=C(C(=O)C1=O)C	PC-id_12614359	224.296	UKFWDSWXQSHERP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005924
CC1=C(C(=O)C1=O)N(C)CC(C(C)(C)C)N	PC-id_88274096	224.299	UGXTXXURMHGGOM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005925
CCC1=C(C(=O)C1=O)NC[C@H](C(C)(C)C)N	SCHEMBL13605098,PC-id_57982048	224.299	OWYMRSQWMRBPNJ-MRVPVSSYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005926
CCCCCC1=NC=C1NC(C(=O)O)CC	PC-id_67842514,SCHEMBL9400104	224.299	DRWXYDMIGRLOAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005927
CCCCCNC1=C(C(=O)C1=O)N(CC)C	PC-id_139376760,SCHEMBL21230982	224.299	NAVBZCJVXFXNIX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005928
CC(CCCNC1=C(C(=O)C1=O)N(C)C)C	SCHEMBL19173938	224.299	OHRNZMHQQRFLIM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005929
CCCCCN(C1=C(C(=O)C1=O)NCC)C	SCHEMBL21230984,PC-id_139376762	224.299	KZULNILAEVQKSZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005930
CCCCCOC(=O)CC(C)N=C1C=CN1	SCHEMBL9400099,PC-id_136418267	224.299	OLYVZISJFTUSTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005931
CCCCNC1=C(C(=NCCCC)C1=O)O	PC-id_87134712	224.299	ZZAZTNLTWFQDDU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005932
CCCCNC1=C(NCCCC)C(=O)C1=O	PC-id_291891,CoCoCo_5493986,MCULE-1122433234,ZINC22_100317170,LI_51426,NSC157453	224.299	NWLXKYLHHGQCFL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005933
CCCCNC1=C([O-])[C+](C1=O)NCCCC	SCHEMBL629150	224.299	MXYHWMSROGSITG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005934
CC(CNC1=C(NCC(C)C)C(=O)C1=O)C	SCHEMBL16674396,PC-id_118041289	224.299	JXGJQOCLGKSRER-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005935
CC(CN(C1=C(N)C(=O)C1=O)CC(C)C)C	PC-id_142659047	224.299	XKUSLYUNCIDNDN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005936
CCCN(CCCNC1=C(C)C(=O)C1=O)C	SCHEMBL21230852,PC-id_139376643	224.299	FQYOCZVQASGJBV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005937
CCN(C1=C(C(=O)C1=O)N(CC)CC)CC	PC-id_394542,NSC698087,CoCoCo_5765137	224.299	YFAGDBJCYIUVGA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005938
CC(NC1=C(NC(C)(C)C)C(=O)C1=O)(C)C	PC-id_12362317,SCHEMBL9962285	224.299	ITNLSWLRFRBZTB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005939
CCN(C1=C([O-])[C+]([C+]1[O-])N(CC)CC)CC	SCHEMBL10960793	224.299	NJZRZVKZQASUKF-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-005940
CCN(CC)C1=C(C(=[N+](CC)CC)C1=O)[O-]	PC-id_88698732	224.299	PFWOJNKBZCLMGR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005941
CCN(CCN(C1=C(C)C(=O)C1=O)C)CC	SCHEMBL21230845,PC-id_139376636	224.299	IOYFYTQMIWQDEP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005942
CNC1=C(C(=O)C1=O)NCCCC(C)(C)C	SCHEMBL19161168	224.299	BICVZVHWAAVHQV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005943
N[C@@H](C(C)(C)C)CN(C1=C(C)C(=O)C1=O)C	SCHEMBL8281699	224.299	UGXTXXURMHGGOM-MRVPVSSYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005944
O=C1C(=C(C1=O)CC)NCC(N)C(C)(C)C	PC-id_76695291	224.299	OWYMRSQWMRBPNJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005945
O=C(N(C1=C(N=C1)C(C)C)C)OC(C)(C)C	SCHEMBL18484284	224.299	DTFYJVPYMMJVMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005946
CCCCCCC1=CC(C1)C(=O)OC(C)C	PC-id_102193203,EMOLS-id_337901587	224.339	KKIWWQKFOVHOEG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005947
CCCCCCC1=C(C(C1=O)(C)C)OCC	SCHEMBL2981062,PC-id_21919563	224.339	JNONJBSHRMYYCZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005948
CCCCCCCCC1C=CC1CC(=O)O	SCHEMBL16842705,PC-id_118179897	224.339	OSNHIQZQBNDYDS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005949
CCCCCCCCCCC1=C(C(=O)O1)C	PC-id_70353035,SCHEMBL10371438	224.339	RRXHAZYPMSMDMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005950
CC(C)(C)CCCCCC(=O)OC1=CCC1	PC-id_87098920,SCHEMBL376990	224.339	PCGKBISLEZJSBF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005951
CCCCCCCC[C@H]1C=C[C@H]1CC(=O)O	PC-id_118179908,SCHEMBL16842716	224.339	OSNHIQZQBNDYDS-STQMWFEESA-N	00001100000000000000000000000000000000000000000000000000	06-01-005952
CCCC[C@H]1C(=O)C(=C1OCC)CCCC	CoCoCo_5509386,NSC168961,LI_157322	224.339	GRZYETYJJOPGBI-NSHDSACASA-N	00001100000000000000000000000000000000000000000000000000	06-01-005953
CCCC[C@@H]1C(=O)C(=C1OCC)CCCC	CoCoCo_5509387	224.339	GRZYETYJJOPGBI-LLVKDONJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005954
O(C1(C(=C(C(C)(C)C)C1=O)CCCC)C)C	PC-id_11806336	224.339	JOQNSELIKIKVKP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005955
O(C1=C(C(=O)C1CCCC)CCCC)CC	PC-id_297702	224.339	GRZYETYJJOPGBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005956
[Si](C1=C(CCCCC)C(=O)C1=O)(C)(C)C	PC-id_10955226	224.371	KEMCSXZTNOGHOC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005957
[Si](C1=C([Si](C)(C)C)C(=O)C1=C)(C)(C)C	PC-id_15273816	224.447	LKVUXENYLPRYAP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005958
ClC1=CC(C1C(F)(F)F)C(F)(F)F	PC-id_22168481,SCHEMBL9859692	224.531	JFHCTVAEQGQMLQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005959
Cl/C=C/1C(=CC1(C)C(C)C)C(=C(C)C)C	PC-id_101994065	224.77	IQULWKIEWPLMBR-MDWZMJQESA-N	00001100000000000000000000000000000000000000000000000000	06-01-005960
C[C@H]([C@@]1(C=C([C@H]1C(=O)C)OC)C)NC(=O)C	PC-id_163725246	225.136	KUZABYADXLIPTD-FXAINCCUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005961
CNC1=C(C(=O)C1=O)N(C)CCCN(C)C	PC-id_154666639	225.148	WMHOHQYEKBFYRW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005962
CCOC(=O)/C(=C(N)/C)/C1=C(O)C(=O)C1=O	PC-id_95366559	225.198	FTUHTCPDDQJUHN-PLNGDYQASA-N	00000100000000000000000000000000000000000000000000000000	06-01-005963
CCC(=O)NC1=C(C(=O)C1=O)OCC(C)C	PC-id_137470672,SCHEMBL20711247	225.241	SDMGCTXZNXFMMG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005964
O(C1(C(=C(OCC)C1=O)OCC)C#N)CC	PC-id_10966181	225.241	DBMNFAHGNJPWRT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005965
CCCCCCCNC1=C(C(=O)C1=O)OC	PC-id_118067936,SCHEMBL16707337	225.284	OFFSBYUGLFBHRF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005966
CCCC(N(C1=C(C(=O)C1=O)OC)C)(C)C	PC-id_59588944,SCHEMBL3749377	225.284	JTXATTYIVXOZMJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005967
CCCCOC1=C(C(=O)C1=O)NC(C)(C)C	SCHEMBL7597357,PC-id_17819389	225.284	UAEJSJBDIXCANE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005968
CCCCOC(C)(CC)NC1=CC(=O)C1=O	SCHEMBL8592919,PC-id_88328131	225.284	YKCQWMQFOCOUQD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005969
CCOC1=C(C(=O)C1=O)NC(C(C)(C)C)C	SCHEMBL7599117,PC-id_19082432	225.284	YSRUSQVLYQQMCN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005970
CCOC1=C(C(=O)C1=O)N[C@H](C(C)(C)C)C	PC-id_54525292,SCHEMBL7599111	225.284	YSRUSQVLYQQMCN-ZETCQYMHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005971
CCOC1=C(C(=O)C1=O)N[C@H](C)C(C)(C)C	SCHEMBL7602924,PC-id_54525291,MCULE-6700011808	225.284	YSRUSQVLYQQMCN-SSDOTTSWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005972
O(C1=C(N(C(C)C)C(C)C)C(=O)C1=O)CC	PC-id_12362318	225.284	BPLGIOHEHFQGKO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005973
O(C1=C(NCCCCCC)C(=O)C1=O)CC	PC-id_85942834	225.284	QWPAAUWAVVLLBP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005974
O(C1=C(NCCCC)C(=O)C1=O)CCCC	PC-id_86187209	225.284	JIIDHWDHWONRCB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005975
CCCCCNC1=C(C(=O)C1=O)NCCN	PC-id_142431869	225.287	VRIZFLUSFYQMKE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005976
CCCCNC1=C(C(=O)C1=O)NCCNC	PC-id_139376717,SCHEMBL21230927	225.287	LHHDCLAEXHRYRN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005977
CCCCNC1=C(C(=[NH+]CCCC)C1=O)O	PC-id_90977619	225.307	ZZAZTNLTWFQDDU-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-005978
CCCCNC1C(=O)C(=[C+]1[O-])NCCCC	SCHEMBL629149	225.307	GCVHAIPEGXTYKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005979
CC(=O)SCCC(=O)NC1=CC(C1)C=C	PC-id_143870857	225.307	VAFAMPSNDBRUAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005980
OC1=C(N(CC)CC)C(=O)C1=[N+](CC)CC	PC-id_54187177	225.307	PFWOJNKBZCLMGR-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-005981
O(CC1CC=C1)CC(=O)N(C(C)C)C(C)C	PC-id_85730225	225.327	BWKWJILTMWPXJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005982
CC(C)(C)C1=C(C(=O)C1=O)CO[Si](C)C	PC-id_88037197	225.336	RCKKECNAHHPJBK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005983
CCN(CC)C1=C(C(=S)C1C(C)(C)C)C	PC-id_135083015	225.393	ZAKIPUMBDYCMJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005984
BrC1=C(OCC)C(Cl)C1=O	PC-id_13256033	225.468	LDVMEROPUVHMPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005985
BrC1C(Br)C=C1C	PC-id_85649425	225.909	LHFPMWZMTPXRIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005986
C1C=CC1(CBr)Br	PC-id_134934859	225.909	GDLOURRDABGWAK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005987
FC1=C(I)C(=O)C1=O	PC-id_101985127	225.944	OXFLYEWOEJFXRD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005988
C1(C(=C([As]1(F)(F)F)F)F)F	PC-id_88633324	225.952	JWEWGDPLHJKTJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005989
CC(C1=[I]CC1N)N	PC-id_164049005	225.997	VWVXOLAMMYYODK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005990
C1C(=C(C1(F)F)C(F)(F)F)C(F)(F)F	SCHEMBL4042494,PC-id_87613567	226.067	GWONHEVBZZINDY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005991
C1=C(C(C1(F)F)F)C(C(F)(F)F)(F)F	PC-id_90736025	226.067	MQODWFDIXJSBEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005992
C(C1=C(C(C1(F)F)(F)F)C(F)(F)F)F	SCHEMBL251452,PC-id_87084281	226.067	LJKNTHBNKZYVQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005993
C(C(C1=C(C(C1(F)F)(F)F)F)(F)F)F	SCHEMBL250941,PC-id_87084182	226.067	MYVONAMCWRGZNK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005994
CC(C)(C)C1=C(C(=O)C1=S)NCCN=O	PC-id_153547751	226.078	DTKNRTWZFQJTNB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005995
CCCNN(C1=CC(=O)C1=O)C(C)C(=O)O	PC-id_152760655	226.095	WCJFZHYTODHHIE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005996
S(=O)(=O)(F)C1(F)C(F)(F)C(=C1F)F	PC-id_86000457	226.097	VOWINGISMKJUAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-005997
CC1=C(C(=O)C1=S)N(C)CCCN(C)C	PC-id_155278519	226.114	UWTPYNGGTDHWIY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005998
CC1=C(C(=S)C1=O)N(C)CCCCNC	PC-id_155278548	226.114	KMHKYXQKAOHNNK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-005999
CCC1=C(C(=O)C1=S)N(C)CCCCN	PC-id_155278371	226.114	DXWWHBQBQYDDPA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006000
CCC1=C(C(=O)C1=S)N(C)CCCNC	PC-id_155278518	226.114	OUYDNPJCXFUWMT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006001
CC(C)(C)C1=C(C(=O)C1=S)NCCCN	PC-id_153438680	226.114	AVQQSDBBSIPDMC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006002
CC(C)(C)C1=C(C(=O)C1=S)N(C)CCN	PC-id_153438710	226.114	AGXUWQLPINJMGZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006003
CC(C)(C)C1=C(C(=S)C1=O)NCCCN	PC-id_153438653	226.114	FFPVPAWXBGQFIF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006004
CC(C)(C)C1=C(C(=S)C1=O)NCCNC	PC-id_153438646	226.114	YDLZZHVNMAHXOP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006005
CC(C)CCCCNC1=C(C(=S)C1=O)N	PC-id_155278256	226.114	OLAXLASSHQZIEB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006006
CC(C)(C)CCN(C)C1=C(C(=O)C1=S)N	PC-id_153438702	226.114	HMFZEICPAZKHLD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006007
CCCCCNC1=C(C(=O)C1=S)N(C)C	PC-id_155278246	226.114	ILVLMDDUDRCZQA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006008
CCCCCNC1=C(C(=S)C1=O)NCC	PC-id_155278253	226.114	DUYRSGIWTDEACM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006009
CCCCCNC1=C(C(=S)C1=O)N(C)C	PC-id_155278265	226.114	QOYACFOKRQGSMU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006010
CCCCNC1=C(C(=O)C1=S)N(C)CC	PC-id_155281325	226.114	CQTUEBPQXGJVMK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006011
CCCCN(C)C1=C(C(=O)C1=S)N(C)C	PC-id_155278363	226.114	ZJXNGRHKIQASPH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006012
CCCNC1=C(C(=O)C1=S)N(CC)CC	PC-id_153547752	226.114	LMLXOXFELLFEAC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006013
CCCNC1=C(C(=S)C1=O)N(CC)CC	PC-id_155281322	226.114	UJGCRYXKHGBEGP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006014
CCCN(CC)CCNC1=CC(=S)C1=O	PC-id_153551439	226.114	RBKYODKGZVSHAN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006015
CCCNCCCNC1=C(C(=O)C1=S)C	PC-id_153333397	226.114	IYVQZTDUJGKOSI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006016
CCCN(C)CCN(C)C1=CC(=O)C1=S	PC-id_155281323	226.114	YNIBCIOQLYXEFR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006017
CCN(C)CCCCNC1=CC(=O)C1=S	PC-id_153551322	226.114	LSFURNSJYGUVNK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006018
CCN(C)CCCCNC1=CC(=S)C1=O	PC-id_153333268	226.114	ZCNIOOYLVDUZEN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006019
CCN(C)CCN(C)C1=C(C(=S)C1=O)C	PC-id_155281139	226.114	KBEVPTDBUWGRRO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006020
CN(C)CCCCN(C)C1=CC(=O)C1=S	PC-id_153333375	226.114	UUJBOVNEYRRVRX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006021
C1C(=C(C1(CC1=C(C(=C1F)F)F)F)F)F	PC-id_89986784,SCHEMBL15495569	226.118	DWMCXRPCIUBWRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006022
CC1=C(C(=O)C1=O)N(C)CCOCCNC	PC-id_155278230	226.132	SDEVTXPYMZNHKK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006023
COCCCCCCNC1=C(C(=O)C1=O)N	PC-id_164122149	226.132	YGMORYFCPYTYRO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006024
CCN(CCN)C1=C(C(=O)C1=O)NCCN	PC-id_155056333	226.143	ZJFOURKGEDGOHO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006025
CCCCN(C)C1=C(C(C1=O)O)N(C)CC	PC-id_155278325	226.168	OKNSECGUAKRDNI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006026
CCCN(C)CCN(C)C1=C(C(=O)C1O)C	PC-id_155281051	226.168	NITKTMXSLGLBEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006027
CCN(C)CCCCNC1=C(C(=O)C1O)C	PC-id_155278238	226.168	SSHSRGAVSBODLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006028
CC(=C)C(=O)OC1CC(=C1C(=O)O)C(=O)O	SCHEMBL1412995,PC-id_87240294	226.183	HYTOHJJCGNEGKK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006029
C/C(=CO)/C(=O)OOC(=O)C1=C(C(=C)C1)O	PC-id_141807833	226.183	HISZDGVFJOQVFB-GQCTYLIASA-N	00001100000000000000000000000000000000000000000000000000	06-01-006030
O(OCC=C)C1=C(OOCC=C)C(=O)C1=O	PC-id_53766058	226.183	DLIUTXXWJHSROR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006031
C1CC(=C1)OC(=O)CC=C(CCO)C(=O)O	PC-id_87710614,SCHEMBL4665590	226.226	LZZMZSQJKOJNFD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006032
CCOC(=O)C(C1=C(C(=O)C1=O)OCC)C	PC-id_101639169	226.226	HKZCXUPQUBNDJE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006033
CCOC(=O)CC1=C(C(=O)C1=O)OC(C)C	PC-id_142659104	226.226	HSFIZNDZKRRSLX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006034
O(C1=C(C(C)(C)C(=O)OC)C(=O)C1=O)CC	PC-id_10059571	226.226	VBBSRSATQGSMGF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006035
CCCCNC1=C(C(=O)C1=O)NCC(=O)O	PC-id_56970824,SCHEMBL16255555	226.229	WAKFXULEINSTKY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006036
CCCNC1=C(C(=O)C1=O)NCCC(=O)O	SCHEMBL7712659,PC-id_88190022	226.229	CJWHGVKEEVEIAQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006037
CCCNC(C)(C(=O)O)NC1=CC(=O)C1=O	SCHEMBL7262601,PC-id_88121117	226.229	UIVUFHHYPHJQGN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006038
CCCNC(CC(=O)O)NC1=CC(=O)C1=O	SCHEMBL7716210,PC-id_88190644	226.229	XXNUQAARZCEDCM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006039
CCCNN(C1=CC(=O)C1=O)CCC(=O)O	PC-id_88121121,SCHEMBL7262607	226.229	XVLNTDSBQRGOEJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006040
CC(C)NN(CCC(=O)O)C1=CC(=O)C1=O	PC-id_88191128,SCHEMBL7718534	226.229	HTLIAYCSYVTQIE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006041
C1(=O)C(=C(OC(C)(C)C)C1=O)OC(C)(C)C	ZINC22_39408079,PC-id_13146968,EMOLS-id_46013943,MCULE-9379983542,SCHEMBL736687	226.269	GFBOYCVDBGFJFT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006042
BrC(C1=CC(C1)C)Br	PC-id_100988905	239.936	YRXHNPIDGJVPGG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006480
CC1(CC/C=C/C(=O)OCC)OC(=C1C)O	PC-id_101194185	226.269	USOTVMMLFLVOAH-FNORWQNLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006043
CCC1=C(C(C1C(=O)OC)C(=O)OC)CC	PC-id_91704132	226.269	BCBJCHCGXQQSBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006044
CCC1=C(CC)[C@H]([C@@H]1C(=O)OC)C(=O)OC	EMOLS-id_337902108	226.269	BCBJCHCGXQQSBE-NXEZZACHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006045
CCC1=C(CC)[C@H]([C@H]1C(=O)OC)C(=O)OC	EMOLS-id_337902876	226.269	BCBJCHCGXQQSBE-AOOOYVTPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006046
CCC(C1CC(=C1C(=O)OC)C(=O)OC)C	PC-id_100947326	226.269	LYRYJALPFLNCHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006047
CCCC1=C(C(C1C(=O)OC)C(=O)OC)C	PC-id_91724282	226.269	SPPKPJSKSTVUPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006048
CCCC1=C(C)[C@@H]([C@@H]1C(=O)OC)C(=O)OC	EMOLS-id_337902620	226.269	SPPKPJSKSTVUPI-VHSXEESVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006049
CCCC1=C(C)[C@H]([C@H]1C(=O)OC)C(=O)OC	PC-id_101606557	226.269	SPPKPJSKSTVUPI-ZJUUUORDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006050
CCCC1=C(C)[C@H]([C@@H]1C(=O)OC)C(=O)OC	PC-id_101607631,EMOLS-id_337901596	226.269	SPPKPJSKSTVUPI-NXEZZACHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006051
CCCCC1=CC(C1C(=O)OC)C(=O)OC	EMOLS-id_337901341	226.269	WBRSHMZPLAKKDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006052
CCCCCCCCOC1=C(O)C(=O)C1=O	PC-id_20278305,SCHEMBL10958418	226.269	QCCKTYUZVKUGKL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006053
CC(C)COC1=C(C(=O)C1=O)OCC(C)C	MCULE-4858767740,ZINC22_206234658,EMOLS-id_324097398,PC-id_71393235	226.269	UGIREZQLXZTHDM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006054
CC[C@H](C)OC1=C(O[C@@H](C)CC)C(=O)C1=O	PC-id_95565563,ZINC22_71786638	226.269	XGNTYPRYQOSCIC-YUMQZZPRSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006055
CC[C@@H](C)OC1=C(O[C@H](C)CC)C(=O)C1=O	ZINC22_43763034	226.269	XGNTYPRYQOSCIC-HTQZYQBOSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006056
CC[C@H](C)OC1=C(O[C@H](C)CC)C(=O)C1=O	ZINC22_71786637	226.269	XGNTYPRYQOSCIC-OCAPTIKFSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006057
CCC(OC1=C(C(=O)C1=O)OC(CC)C)C	PC-id_71393236,SCHEMBL735158	226.269	XGNTYPRYQOSCIC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006058
CCCOC(=O)C1=CCC1C(=O)OCCC	SCHEMBL2345193	226.269	FKPFCNWCEDAIBP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006059
CCOC1=C(C(C1=O)(C=C)OCC)OCC	PC-id_121011201	226.269	XGYSSHCWUAZKCU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006060
CCOC1=C(C=C)C(=O)C1(OCC)OCC	PC-id_121011202	226.269	LZYWSFFIIIVYRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006061
CCOC1=C(OCC)C(=O)[C@]1(O)CC(=C)C	CoCoCo_5765126,NSC698080	226.269	DQMLICZMJHGUNR-GFCCVEGCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006062
CCOC1=C(OCC)C(=O)[C@@]1(O)CC(=C)C	CoCoCo_5765127	226.269	DQMLICZMJHGUNR-LBPRGKRZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006063
COC(=O)C1=C(C(C1)C(C)(C)C)C(=O)OC	PC-id_100947328	226.269	OJLHJXKSJUOTSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006064
COC(=O)C1C=C(C1C(=O)OC)C(C)(C)C	EMOLS-id_337901853	226.269	MSESTEZWKOXFOR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006065
COC(=O)[C@H]1C(=C([C@@H]1C(=O)OC)CC)CC	PC-id_101607630	226.269	BCBJCHCGXQQSBE-UWVGGRQHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006066
O(C1(C(C)(C)C=C)C(=C(OC)C1=O)OC)C	PC-id_15701466	226.269	NPYPMEYCHKXSGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006067
O(C1=CC(O)(C1C(=O)O)C)CCCCC=C	PC-id_15048317	226.269	IFVLOFQFYJCWNU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006068
OC1(C(=C(OCC)C1=O)OCC)CC(=C)C	PC-id_394535	226.269	DQMLICZMJHGUNR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006069
O(C1=C(OC(C)C)C(=O)C1(O)C=C)C(C)C	PC-id_11229870	226.269	DXEPUMDVGOZTTF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006070
O(C(=O)C1C(C=C1)C(=O)OCCC)CCC	PC-id_85321095	226.269	UPCCHQQOBVSMRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006071
O(C(=O)[C@@H]1[C@@H](C=C1)C(=O)OCCC)CCC	PC-id_10933175	226.269	UPCCHQQOBVSMRD-AOOOYVTPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006072
C1(=C(C(=O)C1=O)NCCN(C)C)OC(C)C	SPECS-id_AN-967/15490025,PC-id_1803502,EMOLS-id_8270567,CoCoCo_6950621,ZINC22_2154155,MCULE-1447686316	226.272	QDYVZHMQBUYELL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006073
CCCCOC1=C(C(=O)C1=O)OCCCC	DB12223,ZINC22_1704225,MCULE-6075224915,SCHEMBL56180,PC-id_65108,SPECS-id_AT-225/NB94486,CoCoCo_2780594,CHEBI:53612,LI_134278,NSC113489,PD058172,EMOLS-id_499230,TIMTEC541382	226.272	XBRWELTXMQSEIN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006074
CCOC1=C(C(=O)C1=O)N(C)CCN(C)C	PC-id_86293526	226.272	OBLQNCJEQGRGRR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006075
CN(CCOCCNC1=C(C)C(=O)C1=O)C	SCHEMBL21230837,PC-id_139376628	226.272	WVVFBROSQUPMFU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006076
O=C1C(=C(NCO)C1=O)NCCCCCC	PC-id_86086605	226.272	GZWADDPTCPJVRM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006077
O=C1C(=C(N(O)C)C1=O)NCCCCCC	PC-id_11579489	226.272	BTQZVABQCJZTMN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006078
O(C1=C(NCCCN(C)C)C(=O)C1=O)CC	PC-id_85961175	226.272	ZKAPBTNVBHNDMC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006079
CN(CCCNC1=C(C(=O)C1=O)N(N)C)C	PC-id_101477757	226.276	YFTPHUUXLISHHD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006080
FC1=CC(C1)(CC(=O)OC(C)(C)C)CC=C	PC-id_58657617	226.287	SHRHOIUNDKSBBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006081
O(C1(C(=C(C1=O)CCCC)OCCC)C)C	PC-id_85678743	226.312	GLNCVKIVCAUJAB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006082
O(C1=C(C(C)(C)C)C(=O)C1(OC)C)C(C)C	PC-id_11138844	226.312	LFJXCNIUKCDYDA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006083
O(C1=C(C(=O)C1(OC)C)CCCC)C(C)C	PC-id_11128011	226.312	QBAIPRNKGZIZFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006084
CCN(CCCNC1=C(C)C(C1=O)O)CC	SCHEMBL21230850,PC-id_139376641	226.315	HJVVPJSYNPNZMK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006085
C1(C(=C(C1(Cl)Cl)Cl)Cl)Cl	SCHEMBL3855329,PC-id_87585918	226.316	LRPVCQAKWOMCOC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006086
CC1=C(C)CC1S(=O)(=O)C1CC(=C1C)C	PC-id_141264206	226.335	UJPCOGUIEKEAJZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006087
CCC1=CC(C1)S(=O)(=O)C1CC(=C1)CC	PC-id_141264203	226.335	RJLRKCJJQVITSQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006088
CCC1CC(=C1)S(=O)(=O)C1=CC(C1)CC	PC-id_141468781	226.335	ZWPMRJPGSNJDML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006089
CCC1=C(C(=S)C1=O)NCCCN(C)C	SCHEMBL21230998,PC-id_139376776	226.338	YEEWJRAATYKVJS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006090
CCCCCN(C1=C(C(=O)C1=S)NC)C	PC-id_139376921,SCHEMBL21231163	226.338	XWXWYOXFKDVKOT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006091
CCCCCN(C1=C(C(=S)C1=O)NC)C	PC-id_139376816,SCHEMBL21231038	226.338	HPYCXUQPOGEHKM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006092
CCCCN(C1=C(C(=O)C1=S)NCC)C	SCHEMBL21231169,PC-id_139376927	226.338	BUYIPGMAAAOQPD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006093
CCCN(C1=C(C(=S)C1=O)N(CC)C)C	SCHEMBL21231035,PC-id_139376813	226.338	MUYOQWVVKJURTH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006094
CCCN(CCNC1=C(C)C(=O)C1=S)C	SCHEMBL21231174,PC-id_139376932	226.338	LQMBBIQCSJOWAD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006095
CCN(CCNC1=C(C)C(=S)C1=O)CC	SCHEMBL21231272,PC-id_139377018	226.338	FOTZTUGJPDDPJU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006096
CNCCCCN(C1=C(C)C(=S)C1=O)C	PC-id_139376783,SCHEMBL21231005	226.338	PJFKNPPLDPRKSD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006097
CN(CCCN(C1=C(C)C(=O)C1=S)C)C	SCHEMBL21231023,PC-id_139376801	226.338	OKYXJHYEBCMFSP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006098
NCCN(C1=C(C(=O)C1=S)C(C)(C)C)C	SCHEMBL21231172,PC-id_139376930	226.338	WRQRCUZRZIGMLV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006099
C[SiH](OCC1=C(C(=O)C1=O)C(C)(C)C)C	SCHEMBL6751332	226.344	MAQHQOUCDFCYLT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006100
O=C1C(=C(C1=O)O[Si](C(C)(C)C)(C)C)C	SCHEMBL6751327	226.344	UAUCBMWPPINXPB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006101
C1(=C(C(C1CO)CO)C(C)(C)C)C(C)(C)C	PC-id_74259399,MCULE-4800437481	226.355	MOMGOSZCJRBXPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006102
CC(C)(C)C1=C(C(C)(C)C)[C@H](CO)[C@@H]1CO	PC-id_24209609,ZINC22_43762072,TIMTEC314525	226.355	MOMGOSZCJRBXPM-AOOOYVTPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006103
O(C1(C(O)C(=C1CCCC)C(C)(C)C)C)C	PC-id_15738832	226.355	JSIBSGDSBCKDGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006104
C=CCCCC1(OC(=C1C)O)[Si](C)(C)C	PC-id_102509964	226.387	CAGFWCHQKRMGMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006105
[Si](C1=C([Si](C)(C)C)[AlH+]C1=O)(C)(C)C	PC-id_16717585	226.399	SNYGOEWFQXPUCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006106
C[Si](C)(C)C1=C([Si](C)(C)C)C(=O)C1=O	ZINC22_169833347,PC-id_14979595	226.42	ZEVJCXQGXDDLBF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006107
[Si](OCCCC1=CCC1)(C(C)(C)C)(C)C	PC-id_11550371	226.43	BGYLUKQZZLHXEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006108
ClC1(C(=C(C1=O)C#CCCCC)OC)C	PC-id_15129418	226.699	GZPHWXHXPQYXKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006109
CCCC1=C(C/C/1=CCCCCl)CCC	PC-id_138963688	226.785	RGRWSBFUKMKDIU-UKTHLTGXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006110
CCCC1=C(CC)C(C1(C)C)/C=C(/Cl)C	PC-id_143525032	226.785	GSWWSGIZSBDKFY-MDZDMXLPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006111
BrC1(Br)C(=O)N=C1	PC-id_22079004,SCHEMBL8532049	226.854	QLMSLIHNIREUHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006112
CCNC1=C(C(=O)C1=S)N(C)CCCN	PC-id_153547836	227.109	VCRDQECQTGHLHT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006113
CCN(CCNC1=CC(=O)C1=S)CNC	PC-id_153551491	227.109	DNVYZTGDAGWGJR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006114
COC1=C(C(=O)C1=O)NCCCCCCO	PC-id_163627994	227.116	HTQHXKDJQVGCTE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006115
CC(C)OC1=C(C(=O)C1=O)NC(C)C(=O)O	PC-id_90778054	227.214	LIRKIELMFSZDHS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006116
O(C1=C(NCCCC(=O)O)C(=O)C1=O)CC	PC-id_46868410	227.214	QCBRRLNRMQIEOA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006117
CCC(=O)N=C1C=C(P1)C(C)(C)C(C)O	PC-id_89078247	227.24	KCBDNZJECUNBQI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006118
CCC(=O)NC1=PC(=C1)C([C@@H](O)C)(C)C	SCHEMBL13391950	227.24	SEJWWWMAYVMFGL-ZETCQYMHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006119
[O-][P+]1=C(CC1CCCC)CNC(=O)C=C	PC-id_141133297	227.24	PFRUOSQOYNPUCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006120
CCCCOC1=C(C(=O)C1=O)N(C(C)C)O	PC-id_121006357	227.257	YOBQPNICVIHMRO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006121
OC1(C(=C(OC)C1=O)OC)C(=C)CN(C)C	PC-id_10633055	227.257	HJAMNQZOQVRHDS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006122
O(C1=C(NCCCO)C(=O)C1=O)CCCC	SCHEMBL9748925,PC-id_15078769	227.257	UVZLPEXKMCUKDY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006123
OC(C(C)C)CNC1=C(OCC)C(=O)C1=O	PC-id_20607083	227.257	IPMYFBPJAPQXMR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006124
C1(=C(C(=O)C1=O)NCCO)NCCN(C)C	ZINC22_101690064,EMOLS-id_35782407,MCULE-1199550024,PC-id_53369122,STOCK7S-11455	227.26	FOTUFSZQGPLHLQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006125
CCOC1=C(C(=O)C1=O)NCC[N+](C)(C)C	PC-id_101104808	227.28	ILWZEDHYTZMRHS-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-006126
OC[C@]1(NC(=C1)OC(C)(C)C)C(=O)C(C)C	SCHEMBL19388593	227.3	WPOSTXZTHAYYLK-LBPRGKRZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006127
S(=C)(C1=C(N(C(C)C)C)C(=O)C1=O)CC	PC-id_57981970	227.323	UQXLNCFVPWVYAU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006128
CC/C(=C(C(=N)CC1C=C(C1=C)C=C)/C)/C=C	SCHEMBL19265031	227.345	FAGGTBNUTIFLKC-ADPHNMRASA-N	00001100000000000000000000000000000000000000000000000000	06-01-006129
O=C(N1CC=C1[Si](C)(C)C)OC(C)(C)C	PC-id_102227613	227.375	RHBPIJILUVLPJI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006130
SCCC1=NCC1(CCCCCC)CC	PC-id_23270627	227.409	RCOSXRMKVFGWJS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006131
ClC1(F)C(=C(C1(F)F)C)N(CC)CC	PC-id_12614351	227.654	GQZVLJARLWHFDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006132
ClC1=C(Cl)C(C1(Cl)Cl)(F)F	PC-id_21692905,SCHEMBL9329478	227.852	WFHKAVOJBFVEPZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006133
ClC1=C(Cl)C(C1(F)Cl)(F)Cl	SCHEMBL9470491	227.852	NSGMHGNBPFZZCP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006134
ClC1(Cl)C(Cl)(Cl)C(=C1F)F	SCHEMBL9329480,PC-id_21692904	227.852	RHVTXLXWUAQJPU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006135
C1(=C(OC1(C(F)(F)F)C(F)(F)F)F)F	PC-id_154085042	227.982	JXJMFQITSVZUDE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006136
CC1=C(C(=S)C1=S)N(C)CCCNC	PC-id_155278541	228.075	GECSIWZTDXXQBY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006137
CC1=C(C(=S)C1=S)NCCCN(C)C	PC-id_155278534	228.075	BRWQOHAPIKARCT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006138
CCCCCNC1=C(C(=S)C1=S)NC	PC-id_155281117	228.075	NBYZTZNFKLOAKM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006139
CCCN(C)C1=C(C(=S)C1=S)NCC	PC-id_153547922	228.075	KKJHKDPMSGSSPP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006140
CCN(C)CCCNC1=CC(=S)C1=S	PC-id_153547999	228.075	JVCSTWKOAMDHAP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006141
CN(C)CCCCNC1=CC(=S)C1=S	PC-id_153547868	228.075	JCGWIQGABFFTOR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006142
CN(CCNC(=O)O)C1=C(C(=O)C1=O)OC	PC-id_155191314	228.075	ZUHLTDSXFGDBLX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006143
C(CN)COC1=C(C(=O)C1=O)OCCCN	PC-id_163599057	228.111	GWAOBVNMNLEMPO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006144
C1=C(C([C+]1C(=O)[O-])(C(=O)O)C(=O)O)C(=O)O	PC-id_136440034	228.113	LBECYAKXMUNYDC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006145
OC(=O)C1=C(C(=C1C(=O)O)C(=O)O)C(=O)O	SCHEMBL9635649,PC-id_21624880	228.113	DPOOEICTCSRXIA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006146
OC(=O)C1(C(=O)O)C(=C=C1C(=O)O)C(=O)O	SCHEMBL9635645	228.113	YODWYSNVWAYBIK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006147
CCCCNC1=C(C(C1=O)S)N(C)CC	PC-id_155281313	228.13	FMXHZEDVKMTBHS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006148
CCCCN(C)C1=C(C(C1=O)S)N(C)C	PC-id_155278373	228.13	PPIUXGYPMVLOES-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006149
CCCN(C)CCNC1=C(C(C1=O)S)C	PC-id_155278521	228.13	QRCOBOGPFVPPNZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006150
C1C=C([C@H]1COCCCN)COCCCN	PC-id_163840886	228.184	OLWSBXLXGNNEBY-GFCCVEGCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006151
CCOCC1OC(=C1)C(=O)OOC(=O)C=C	PC-id_142226218	228.199	HGFQEDXYRMARIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006152
O(C(=O)C(C1C(C=C1)C(=O)O)C(=O)OC)C	PC-id_75240632	228.199	PBGBRWGISHCWGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006153
O(C(=O)C([C@H]1[C@H](C=C1)C(=O)O)C(=O)OC)C	PC-id_46928522	228.199	PBGBRWGISHCWGB-RITPCOANSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006154
CCCCOC1=C(C(=O)C1=O)OCCOC	SCHEMBL11629896,PC-id_20326328	228.242	GUZGRZBNSQAPOG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006155
COC1C(O1)CC1(CC(=C1)OC)C(=O)OC	PC-id_90925044	228.242	UWPBEFYVGLDVNZ-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006156
O(CCCC)C1=C(OCC(O)C)C(=O)C1=O	PC-id_86053456	228.242	ZKNLVZCTAQXVFI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006157
C1(=C(C(=O)C1=O)NCCCOC)NCCO	MCULE-7954702629,EMOLS-id_30509832,STOCK7S-01339,ZINC22_101667256,PC-id_49656903	228.245	PPUPBWSAPUBQTE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006158
O=C1C(=C(NCCCO)C1=O)NCCCO	PC-id_14872890	228.245	DOKUQRYDFZAMQE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006159
OC1=C(NC(CO)C)C(=O)C1=NC(CO)C	PC-id_53919974	228.245	ZCUPLFUURUIZNN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006160
OCC(NC1=C([O-])[C+]([C+]1[O-])NC(CO)C)C	SCHEMBL10959238	228.245	QSMYHCZAOAYQQZ-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-006161
CCC(C)(C)C(C)(C)OOC1=C(C(=O)O1)C	PC-id_88447779	228.285	XSHBLVCSXAVJGP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006162
CC(C)(C)OC1=C(OC(C)(C)C)[C@@H](O)C1=O	ZINC22_38524743,EMOLS-id_331060150	228.285	BLYKNWIJVHOPRO-ZETCQYMHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006163
CC(C)(C)OC1=C(OC(C)(C)C)[C@H](O)C1=O	ZINC22_38524744	228.285	BLYKNWIJVHOPRO-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006164
CC(C)(C)OC1=C(OC(C)(C)C)C(=O)C1O	EMOLS-id_232692153,PC-id_10331357,MCULE-8767173365	228.285	BLYKNWIJVHOPRO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006165
CCOC1=C(C(C1=O)(C(C)(C)C)O)OCC	PC-id_134898043	228.285	DEIUJSHCRPYONL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006166
OC1(CCCC)C(=C(OCC)C1=O)OCC	PC-id_14112420	228.285	BRXALYIGNUSUFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006167
O(C1=C(OC(C)C)C(=O)C1(O)CC)C(C)C	PC-id_11096363	228.285	NDBIFIINBAFAAY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006168
O(C1(C(O)C(=C1OC(C)C)CCCC)C)C	PC-id_11790974	228.328	RDLINCXXJXWKSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006169
O(C1(C(O)C(=C1OCCC)CCCC)C)C	PC-id_85678746	228.328	YQIIPRVAONMKMX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006170
O(C1(C(O)C(=C1OCCC)C(C)(C)C)C)C	PC-id_85678749	228.328	VBPPBTRNKDYLKV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006171
OC(=O)C1=CCC1O[Si](C(C)(C)C)(C)C	PC-id_102012976	228.36	CSCPQMIURDJTBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006172
CCCCNC1=C(C(=S)C1=S)NCC	PC-id_139376944,SCHEMBL21231188	228.377	UECRWPRXOVOZLF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006173
NCCCCN(C1=C(C)C(=S)C1=S)C	SCHEMBL21230910,PC-id_139376700	228.377	KUMBRDXGACQCRX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006174
NCCNC1=C(C(=S)C1=S)C(C)(C)C	PC-id_139376696,SCHEMBL21230906	228.377	CMEFEYNEJJXJPX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006175
CCCCOCC1CC(=C1)O[Si](C)(C)C	SCHEMBL10218161,PC-id_88577953	228.403	SQSYMDSUPZOSQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006176
COCC1=C([C@H]([C@H]1OCC)C)[Si](C)(C)C	PC-id_100960140	228.403	DIVQKOBELNDNSF-GXSJLCMTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006177
COCC1=C([C@@H]([C@H]1OCC)C)[Si](C)(C)C	PC-id_100960148	228.403	DIVQKOBELNDNSF-MWLCHTKSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006178
[Si](C)(C)(C)C#CC1=C(C=C1)C#CC(C)(C)C	PC-id_11783550	228.405	VPWJAJBGNRWDLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006179
CCCC(=O)OC1=C(C(C1(F)F)F)Cl	PC-id_88689208,SCHEMBL10906261	228.596	QXPIZUMAFPYEDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006180
ClC1(C(=C(CCCC)C1=O)OC)C(=C)C	PC-id_14415877	228.715	JNDKECQOYOZIFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006181
ClCC(=C1C(=C(CCCC)C1=O)OC)C	PC-id_85599209	228.715	ZSZRBAQRSRVHGK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006182
C/C=C(C1C(=O)C(=C1[Si](C)(C)C)Cl)/C	PC-id_101221684	228.791	CUYNDHFQDFXMIY-SREVYHEPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006183
ClC1=C([Si](C)(C)C)C(C1=O)C(=CC)C	PC-id_85863859	228.791	CUYNDHFQDFXMIY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006184
C(/C=C/C[P+](=O)O)NC1=C(C(=O)C1=O)N	PC-id_153877924	229.037	SEVLBLHOQFIGOH-OWOJBTEDSA-O	00000100000000000000000000000000000000000000000000000000	06-01-006185
CCC(=O)ONC1=C(C(=O)C1(C)C)SC	PC-id_154453039	229.077	UYCQGIYHMMMDMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006186
FC(F)(CNC1=CC(=O)C1=O)C(F)(F)F	PC-id_17870787	229.104	OQMDLZVRFQUVQD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006187
S(=O)(=O)(C1=C([O-])C(=O)C1=O)C(F)(F)F	PC-id_21357088	229.111	PPOFRMHGPXZLOJ-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-006188
C1=C(C([C+]1C(=O)O)(C(=O)O)C(=O)O)C(=O)O	PC-id_136440035	229.121	LBECYAKXMUNYDC-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-006189
O=C1C=C(C1=O)NS(=O)(=O)C(F)(F)F	PC-id_141579065	229.134	VESDEIZISSRBDM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006190
CCOC1=C(C(=O)C1=O)NC(CC)(P)C	SCHEMBL13579013,PC-id_70944189	229.213	DLMNWFWOXHRRQQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006191
OCCOCCNC1=C(C(=O)C1=O)OCC	EMOLS-id_192732407,MCULE-3634127764	229.23	JKTXIKDQKMUCDZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006192
CCOC1=C(C(=O)C1=O)CC(C(C)C)NF	SCHEMBL7896899,PC-id_57060374	229.248	ARPNGBDSWRPQQE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006193
CCOC1=C(C(=O)C1=O)C(C(F)(C)C)CN	PC-id_88218036,SCHEMBL7896903	229.248	RRKUFWDGOSZYEX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006194
CCOC1=C(C(=O)C1=O)NCCC(F)(C)C	SCHEMBL7597376,PC-id_19082430	229.248	BAVUAPSYCIAWRX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006195
OC1=C(NC(CO)C)C(=O)/C/1=[NH+]/C(CO)C	PC-id_53919973	229.253	ZCUPLFUURUIZNN-XYOKQWHBSA-O	00000100000000000000000000000000000000000000000000000000	06-01-006196
COCCOC1=CN(C1)C(=O)OC(C)(C)C	PC-id_68309849,SCHEMBL12525738	229.273	GJXDYNNZHFFERM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006197
CCS(=O)C1=C(C(=O)C1=O)N(C(C)C)C	SCHEMBL13605188,PC-id_57982046	229.296	FJVZSUDUQFMUMJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006198
CSC1=C(C(C1=O)(C)C)NC(C(=O)O)C	PC-id_141067851	229.296	XHOKHPNMXMZSSH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006199
CC(NS(=O)C(C)(C)C)(CC1=CCC1)C	PC-id_117970224,SCHEMBL16589103	229.382	LWPBVSYZYIPMOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006200
ClC1=C(N(CC)CC)C(O)(C1=O)CC=C	PC-id_9991441	229.703	WMABSVJVLQNLKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006201
CC1=CC(=C1C(=C)C(=C)Br)Cl	PC-id_154951908	229.95	HEUMNHMOWLUYBT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006202
[C@@H]1([C@@H](C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O	PC-id_154290361	230.006	WZQLQTNRBFABLM-LWMBPPNESA-N	00001100000000000000000000000000000000000000000000000000	06-01-006203
[B]/C(=C/C)/C1=CC[C@@H]1[C@@H](C)S(=O)(=O)Cl	PC-id_163766235	230.034	RBLCQVAPTSIEKU-QBDOUFELSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006204
C[As](C1=CC(C1(F)F)(F)F)C	PC-id_139264593	230.035	SYJOHCRKVYXUIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006205
CCCCN(C)C1=C(C(C1=S)S)NC	PC-id_155278389	230.091	GCKIUGVWFIEYNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006206
CCCN(C)C1=C(C(C1=S)S)N(C)C	PC-id_155278264	230.091	RJMIGQSQWCHIIR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006207
CC[C@@H](N(C)C)SC1=C/C(=C(/N)P)/C1	PC-id_155053509	230.101	PDCNESKEHDCROV-HZAKCSEPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006208
C1=C(C(C1F)(F)F)OC1=CC(C1(F)F)F	SCHEMBL9709508,PC-id_88503715	230.107	OAZHLRTXYABXJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006209
S(=O)(=O)(C1=C(O)C(=O)C1=O)C(F)(F)F	PC-id_21357089	230.119	PPOFRMHGPXZLOJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006210
C1(C(C(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O	PC-id_88248575,SCHEMBL8094583	230.128	WZQLQTNRBFABLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006211
C1=C(C(C1C(=O)O)(C(=O)O)C(=O)O)C(=O)O	PC-id_88465583,SCHEMBL9453165	230.128	CDXQXZOXYHTPRY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006212
C1=CC(C1(C(=O)O)C(=O)O)(C(=O)O)C(=O)O	SCHEMBL8404263,PC-id_88293432	230.128	DIHZWJQLZIPGLR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006213
OC(=O)C1(CC(=C1C(=O)O)C(=O)O)C(=O)O	PC-id_22107568,SCHEMBL8404265	230.128	MGIUVZCDLSDSJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006214
CCC1CC(=C1)OS(=O)(=O)C(F)(F)F	PC-id_118933708,SCHEMBL17577409	230.205	RWRMNTHKUBUBBP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006215
CC(C)OOC1=C(C(=O)C1=O)OOC(C)C	PC-id_90718153	230.215	CHUYNZSXXZVIDH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006216
OC1(C(=C(OCC)C1=O)OCC)CC(=O)O	PC-id_10977273	230.215	MCWHZNOIIOGZLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006217
O(C1=C(OCCOC)C(=O)C1=O)CCOC	PC-id_71393221	230.215	ASICDPROSQAGMG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006218
O(C1(OC)CC(=C1C(=O)OC)C(=O)OC)C	PC-id_14942181	230.215	KOLLRVUMMFNUTF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006219
O(CCCCC(O)CO)C1=C(O)C(=O)C1=O	PC-id_86053452	230.215	XZTFBBAJHMNNMJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006220
C1=CN=C1NC(C=O)C(C(C(CO)O)O)O	PC-id_87350555	230.218	HPGVZGUZBBTBRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006221
C1=CNC1=N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O	SCHEMBL2186161,PC-id_136367548	230.218	HPGVZGUZBBTBRX-HIORRCEOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006222
C1=CNC1=N[C@@H](C=O)[C@H]([C@H]([C@@H](CO)O)O)O	SCHEMBL2187902,PC-id_136367572	230.218	HPGVZGUZBBTBRX-LWIVVEGESA-N	00001100000000000000000000000000000000000000000000000000	06-01-006223
CCCPC1=C(C(=O)C1=O)SCCC	SCHEMBL18373088	230.264	PPMBQZZNZMGTFY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006224
C1(=O)C(=O)C(=C1N[S@](=O)C(C)(C)C)NC	MCULE-9907310010,EMOLS-id_336515839	230.284	UCNKPXAMHYTCGN-OAHLLOKOSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006225
C=CCP(C(C1C(=CC1(C)F)C)C)(C)C	SCHEMBL19674279	230.302	XENBNKHNILJGMK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006226
O(C(=O)/C(=C/C#CC1=C(CC1)C)/CC=C)CC	PC-id_11128121	230.302	PNPXLUYTLMMTLB-NTEUORMPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006227
O(C(=O)C(=CC#CC1=C(CC1)C)CC=C)CC	PC-id_85408750	230.302	PNPXLUYTLMMTLB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006228
CCCCOC(=S)C1=C(CC1)C(=O)S	PC-id_88799730	230.347	UVPLIWAFNNCLSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006229
C1(=C(CC1)O[Si](C)(C)C)O[Si](C)(C)C	PC-id_2734034,EMOLS-id_495484,SCHEMBL335754,MCULE-9619388411	230.451	WOBRFSDEZREQAB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006230
O[C@@H]1[C@H](O)C(=C1[Si](C)(C)C)[Si](C)(C)C	PC-id_101353353	230.451	FFNUYBJNTUTSFP-OCAPTIKFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006231
ClC1=C(NC(=O)NC(C)(C)C)C(=O)C1=O	PC-id_85521684	230.648	PWMBUOQIJYYFCB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006232
ClCOC1C=C[C@H]1[C@@H]([C@@H](C(C)(C)C)C)C	SCHEMBL19230225	230.774	JDSIKRPFSWCPDP-FEZOTEKNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006233
CCCCN(C)C1=C(C(=S)C1=S)S	PC-id_153551339	231.021	UIIGEZNDMRQZOO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006234
CCCCCN1C(=C(C1=O)SC)SC	PC-id_163602035	231.075	ANMAJMAAFSCRFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006235
C1CN(C1)N=C(/C(=C/C(=N)C1=CN=C1)/C=O)[O-]	PC-id_163897826	231.089	QHFGTMTXYOXGOV-USUWEBFRSA-M	00001100000000000000000000000000000000000000000000000000	06-01-006236
CCCCC1=C(C(S1(=O)=O)(C)C)N(C)C	PC-id_154267663	231.129	BJWCNXHRDGMLJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006237
C/C=C/C1(CC1/C(=C/C)/CN1CC=C1)C(=O)C	PC-id_163862140	231.162	PDMCBPAKCMJLHB-RWMVUUEKSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006238
S(CC[C@H](N)C(=O)O)C1=C(O)C(=O)C1=O	PC-id_44179611	231.226	LWQUIGKZPYYZMH-VKHMYHEASA-N	00000100000000000000000000000000000000000000000000000000	06-01-006239
S(CC[C@@H](N)C(=O)O)C1=C(O)C(=O)C1=O	PC-id_44179612	231.226	LWQUIGKZPYYZMH-GSVOUGTGSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006240
S(CCC(N)C(=O)O)C1=C(O)C(=O)C1=O	PC-id_74941844	231.226	LWQUIGKZPYYZMH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006241
SCC(NC1=C(OC)C(=O)C1=O)C(=O)O	PC-id_85594906	231.226	SNFUQGJHZMKCQH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006242
COC(=O)C(NC1=C(C)C(=O)S1=O)(C)C	PC-id_142311038	231.269	YOSQASWTNZFJCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006243
C/C=C(C=C(CN)/C)/CNC1=C(N)C(=C)C1=C	PC-id_143346949	231.337	FHKKJSFGQJDYNJ-CQKKQSJTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006244
CCC1(C=C(C1(C)CC1CC1)/C(=CC=C)/N)C	PC-id_135231018,SCHEMBL20388862	231.376	YCNGIDIVTUBHOX-VGOFMYFVSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006245
[O-][N+](=O)C1=C([N+](=O)[O-])C(=C1[N+](=O)[O-])[N+](=O)[O-]	PC-id_86206352	232.065	KKLZXUUHQIMDRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006246
BrC1=C(N=C1C(=O)O)C(C)(C)C	PC-id_67421428,SCHEMBL2473001	232.074	DAWDWSIFSDPADB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006247
CC(C)(C)OC(=O)C1=NC=C1Br	PC-id_91380187	232.074	BIJWWNGDJKMONR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006248
BrC1=C(N=C1C(=O)O)CCCC	SCHEMBL1270283,PC-id_66971954	232.075	FOGACZMWCFCBHE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006249
C1CN(C1)NC(=O)/C(=C/C(=N)C1=CN=C1)/C=O	PC-id_163897827	232.096	QHFGTMTXYOXGOV-USUWEBFRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006250
FC1(F)C(C(=C1C(F)(F)F)C)(C)C(=O)F	PC-id_23235235	232.123	GMQIJJBTJWRSMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006251
C[C@@H](/C=CN=C(C)C#N)[C@H](C)C1CC(=C1)OC	PC-id_163972371	232.158	SRCVASKXDJRUHW-NDHCRGGMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006252
CCC1=NC=C1CNC(=C)/N=CC(=C(C)C)N	PC-id_154937273	232.169	XKPSTBGGCLNXKT-PXNMLYILSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006253
CCCC1=C(CC1)[P+](OCC)(OCC)[O-]	PC-id_102279546	232.256	MSGQISRFQKZIJM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006254
CC#CCCC#CC1(C(=C(C1=O)C)OC)OC	PC-id_134893096	232.275	TWUMDLIUFKJDFZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006255
OC1(C(=C(C1=O)C#CCCCC)CCC=C)C	PC-id_10657225	232.318	BPCGYFHHKOCPHX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006256
CCCNC1=C(C(=C)C1)N/C(=C/C)/C=C(C)C	PC-id_143280486	232.364	JHVJILCQVZSJDH-NTUHNPAUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006257
ClC1C(CN(C(=O)OCC)C(=O)N)C=C1	PC-id_73083490	232.664	RZFAEYQPNWIPGO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006258
Cl[C@@H]1[C@@H](CN(C(=O)OCC)C(=O)N)C=C1	PC-id_11746533	232.664	RZFAEYQPNWIPGO-RQJHMYQMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006259
ClC1=C([Si](C)(C)C)C(F)(F)C1(F)F	PC-id_15255576	232.678	DRQQEQMJYXQKFS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006260
ClCCCCCCC1OC=C1C(=O)OC	SCHEMBL5093851,PC-id_69308482	232.704	TXTDYSYINGHIBH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006261
BrC(C1=CCC1)C(C)C(=O)OC	PC-id_592693	233.102	FIGRFGOPHFANHY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006262
CCN(CC)C1=C(S(=O)(=O)C1)C(=O)OC	PC-id_134996172	233.285	QKVLGLBLIQFRDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006263
CCC1CC=C1C(CC1=CC(C1)(C)C)(CN)C	PC-id_89322722,SCHEMBL14391041	233.392	STKSHPIOLJDTQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006264
CCC1=C([C@@H](C1)C(C)N(C)/C(=C/C=CC)/C)C	PC-id_135303361	233.392	IQXSYEDXUXYQES-VFFONHGRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006265
C/C=CC=C(N([C@H]([C@@H]1CC(=C1C)CC)C)C)/C	SCHEMBL20470767	233.392	IQXSYEDXUXYQES-KRFPTDQJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006266
I[C@@]1(F)C(F)(F)C=C1	PC-id_23234748	233.958	LITASZYXOGFPIX-SCSAIBSYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006267
IC1(F)C(F)(F)C=C1	PC-id_74023561	233.958	LITASZYXOGFPIX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006268
CC1=C(C(=NC)C1=N)I	PC-id_155208125	233.965	ZJOICLFAKOJPCH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006269
CC(C)(C)C1=C([C-]=N1)I	PC-id_153937728	233.979	RBOKBKDMUXUFGF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006270
CC=C(C1=CC(C1)C)I	PC-id_88925925	234.077	HWHSVKXTQFWMBL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006271
C/C=C(C1=CC(C1)C)/I	SCHEMBL12503925	234.077	HWHSVKXTQFWMBL-FPYGCLRLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006272
FC(F)(F)C(=C1OC(=C1)OC)C(F)(F)F	PC-id_23235448	234.096	ZCJHXPFJTUSVTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006273
CN(C1=C(O)C(=O)C1=[NH2+])CC[P@](=O)(O)[O-]	GD-id_ZINC27524609	234.146	HVTBSMLBQDJSSS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006274
CN(CCP(=O)(O)O)C1=C(N)C(=O)C1=O	CHEMBL143852,PC-id_9899461,SCHEMBL2152367	234.146	GIMHPDUACJAIAG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006275
NC1=C(NCCCP(=O)(O)O)C(=O)C1=O	PC-id_10331572,SCHEMBL9200226,CHEMBL145806	234.146	RARPYAVALSABGF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006276
O=C1C(=C(C1=O)CNCCP(=O)(O)O)N	SCHEMBL2152363,PC-id_21972597	234.146	SHNYINLDBGADJX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006277
P(=O)(OC)(OC)C1=C(OC)C(C1=O)(C)C	PC-id_11128218	234.186	ODGRCRVPKTXDMQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006278
CC1C(C=C1N(C)C)CC2C=C(C2C)N(C)C	PC-id_154955126	234.21	GRTHQEDCGWQUJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006279
S(=O)(=O)(O)CCNC1=C(NC)C(=O)C1=O	PC-id_20712492	234.23	CNXJUDIMKUAJEY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006280
COC(=N)C1(CC=C1OCC(F)F)C(N)C	SCHEMBL19310630	234.243	JYFJDKFUPFULEV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006281
O(C1(C(=C(OC)C1=O)OC)C#CCCC#C)C	PC-id_15004553	234.248	YCJZCMPXWRTKKF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006282
OC1(C(=C(OC)C1=O)OC)C#CCCCC#C	PC-id_85645394	234.248	JCJWKOZUTLUOSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006283
CCCCOP(=S)(O)OCC1=CC=C1	PC-id_91612604	234.252	RQJCBIVPWXLNLC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006284
CC1CC(=C1C)C(=O)OC(=O)C1=C(C(C1)C)C	PC-id_87195801	234.291	YJTXDJMCDWDTTE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006285
CCC1=C(CC1)C(=O)OC(=O)C1=C(CC1)CC	SCHEMBL6902990,PC-id_87195455	234.291	PNJRPAUBAIVADB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006286
CC(CC1=C(CC(C)C)C(=O)/C/1=CC(=O)C)C	CoCoCo_5765133,PC-id_6183609	234.334	RPRYXGWQVFNNHA-ZSOIEALJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006287
CC(CC1=C(CC(C)C)C(=O)/C/1=C/C(=O)C)C	NSC698083,CoCoCo_5765132	234.334	RPRYXGWQVFNNHA-RIYZIHGNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006288
O(C1C(=C(C1=O)C=C(C)C)CCC(=CC)C)C	PC-id_10704867	234.334	CNKJNOZWPZHYHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006289
O=C1C(=C(C1=O)CC=C)CCCCCCCC	PC-id_11183917	234.334	HIGVNGNBOHMBSO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006290
O=C1C(=C(CC(C)C)C1=CC(=O)C)CC(C)C	PC-id_394538	234.334	RPRYXGWQVFNNHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006291
CCC(CC1=CC(=O)C1)CCC=C(CC)CC	SCHEMBL11688032,PC-id_21399095	234.377	PDLAWSGKOVWOCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006292
C1(C(=C(C1)CCCCCCC=C)CCCC)C	PC-id_57074191	234.42	XAHJCCFEUAQLMF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006293
C1(=C(C(C)(C)C)C(=C1C(C)(C)C)C)C(C)(C)C	PC-id_11059791	234.42	VIHJCKLBPCSLOA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006294
CCC1=C(CC1C)CCCCCCCCC=C	PC-id_91047066	234.42	QHXOSGBQZFVAEG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006295
[Si]1(=C)C(CC(C)(C)C)C(=C1C)C(=C(C)C)C	PC-id_53842967	234.452	GKKQRDWSZLXGFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006296
[Si](C#CC1=C(CC1)CCCCCC)(C)(C)C	PC-id_10944395	234.452	SMYFRZGCISCBLF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006297
CCOC1=C(Cl)C(=O)C1(OCC)OCC	SCHEMBL11519961,PC-id_12500888	234.677	PXLNMEXNAZDNOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006298
CC(C)(C)C1=NC=C1I	PC-id_153937729	234.986	IAVSJFJAMUWUDE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006299
CCOC1=C(C(=O)C1=O)NCS(=O)(=O)O	PC-id_155162001	235.015	GBMNQIKRBUKVRC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006300
OC/C=CC1=C(C=N1)I	PC-id_122541930,SCHEMBL18078491	235.022	LYSOKACYTOOVDS-UPHRSURJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006301
CCOC1=C(C(=O)C1=O)NCP(=O)(O)O	SCHEMBL9206379	235.131	HBNDEAHAHALFSF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006302
CCOC1=C(C(=O)C1=O)N(P(=O)(O)O)C	PC-id_141568526	235.131	VFIUBLAJYNIGKE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006303
Cl[Si]1(Cl)C(C(=C1C)/C(=C/C)/C)CC	PC-id_54548388	235.226	ZIEHBPFJIZUDRG-FNORWQNLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006304
Cl[Si]1(Cl)C(C(=C1C)C(=CC)C)CC	PC-id_76134063	235.226	ZIEHBPFJIZUDRG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006305
CCC(CC1CCC1)CC(C2=CCC2)N(C)C	PC-id_155173958	235.23	URWXIKMOQRJDDI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006306
C[C@H](C(C)CC(=C)C(C)C)[C@]1(C(C=N1)(C)C)C	PC-id_163657914	235.23	IRVWLIBXLBYAEU-VVRWDSKXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006307
CO/C(=C(/C=C)NCC1=CCC1)/C(=C)C(=O)O	SCHEMBL18973849	235.279	PGYUTWLAFQKKRG-QXMHVHEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006308
O=C1CC(=C1C(=C)C)N(CCC=C)C(=O)OC	PC-id_11644354	235.279	IRUASIXDHQARIB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006309
O=CC1=C(C=N1)OCCC(CCC=C(C)C)C	PC-id_142795047	235.322	IQSPGUMCPVTQKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006310
CCCCCCC1=C(C(C1)C(=O)N(C)C)C=C	PC-id_101793138	235.365	UECDLPVONHVWKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006311
CCCCCCC1=C([C@@H](C1)C(=O)N(C)C)C=C	PC-id_135061351	235.365	UECDLPVONHVWKN-CQSZACIVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006312
CCCCCCCCCCC1=C(N)C(=N)C1=N	SCHEMBL12432569,PC-id_59755467	235.368	CHPFWRZSSWIYIK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006313
CN(CNN1CC(=C1)C(CC(=C=C)C)(C)C)C	PC-id_139419604,SCHEMBL21278621	235.368	IXPHIOBBSCPFCC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006314
C/C=CC=C/C=NC1CC(=C1)SC(C)(C)C	PC-id_134425951	235.388	NCHBSQLRNWUXFZ-XUAUACEKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006315
C/C=CC=C/C=N/C1CC(=C1)SC(C)(C)C	SCHEMBL20059499	235.388	NCHBSQLRNWUXFZ-IVVCFZMCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006316
CCCCCCCCCCCNC1=CC(=C)C1	PC-id_143489835	235.408	LGVWIRLAKGIXII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006317
NCCCCCCC(C(C1=CCC1)CC=C)C	SCHEMBL21376878,PC-id_139506227	235.408	VXYLNCFJNGMKKM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006318
CCC(C(C1NC=C1)S)SSCC	SCHEMBL21130450,PC-id_138748740	235.433	RHKLJCVIERRDGF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006319
ClC1(Cl)C(Cl)(Cl)C=C1C(=O)O	PC-id_21415624,SCHEMBL11693446	235.88	DTLSETZRDVBXCD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006320
BrC1=C(Br)C(=C)C1=C	PC-id_119098548	235.904	VLYPGHQNNRXRSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006321
CC1=C([Se]C1(C(=O)O)C(=O)O)C	PC-id_153853759	235.959	XFLYFYYBIFRCMJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006322
C(COP(=O)(O)O)NC1=C(C(=O)C1=O)N	PC-id_154206808	236.02	SAAVMIVDBZIPDI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006323
C1CC(=C1)CCCCI	PC-id_89011924,SCHEMBL13073824	236.093	HKUNKVLWAYYNIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006324
CCOC1=CC(O1)(C(F)(F)F)C(F)(F)F	PC-id_101004041	236.112	CJFJSOXCHTZJAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006325
C[C@@H]1CC(C1C)N(C1=C(C(=C1)C)CN(C)[O-])[O-]	PC-id_163662949	236.154	ZIDARHSFDXRTPU-DUACVJHASA-N	00001100000000000000000000000000000000000000000000000000	06-01-006326
O=C1C(=C(N)C1=O)NCNC1=C(N)C(=O)C1=O	PC-id_58529192	236.184	WLZFGEHXWRCKHF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006327
C#CC(CC1C=CN1CCCN)CNCCN	PC-id_147376479	236.2	DKCOFMUIQKASKB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006328
O(C1(C(=C(C(C)C)C1=O)OC)C#CC)C(=O)C	PC-id_10561776	236.264	DTIDABKTDXAHMF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006329
O(C1(C(=C(C1=O)CC=C)OCC)CC=C)CC	PC-id_10911551	236.307	KVJFHNBXGQWKBG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006330
CC(=C)NC1=C(C(=O)C1=O)NCC(C(C)C)C	SCHEMBL19245414	236.31	JOVMAAQWXLWCFC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006331
[Si](C)(C)(C)C#CC1=C(OC(C)C)C(=O)C1=O	PC-id_10537797	236.339	WXPRHAQZPRPHKC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006332
CCC(C)(C)C1(C=C(C1(C)OC(=O)C=C)C)C	PC-id_91361907	236.35	CWCRTLVIFOMSEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006333
CCCCCC1=C(C(C1=O)C(=C)CCC)OC	PC-id_134894927	236.35	SNIBXPQSHRLHOJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006334
CCCCCCC1=C(C(C1)C(=O)OCC)C=C	PC-id_101793136	236.35	LCNMBZIWOXNZJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006335
CCCCCCC1=C([C@@H](C1)C(=O)OCC)C=C	PC-id_135061350	236.35	LCNMBZIWOXNZJF-CQSZACIVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006336
C=CCCCCCCCCCCC1=COC1=O	SCHEMBL8917196,PC-id_19027363	236.35	NLAGWIUTAUAOIO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006337
O(C1(C(=C(C1=O)C(C)C)CCCC)C(=C)C)C	PC-id_10082847	236.35	BGCJOBHAPZASFV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006338
C/C=CC(=C/[C@@](C1C=C(C1C)C(C)C)(F)C)C	PC-id_139382072,SCHEMBL21236776	236.368	BSECSSHIIUFOGF-LXEAAVHUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006339
CCCCC1=C(C(C1=O)(CCC)CCC)CC	PC-id_101791413	236.393	HIKUFQLZIXKLMI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006340
CCCC(=C(CC(NC)C)CC)[C@@H]1CC(=N1)C	PC-id_71054378,SCHEMBL14041106	236.396	MNMYYWPAGCEOMY-MHTVFEQDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006341
N1=C(CC1C(=C(CC(NC)C)CC)CCC)C	PC-id_77997072	236.396	MNMYYWPAGCEOMY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006342
[Si]1(=C(C(=C1)CCCC)CCCC)CCCC	PC-id_69978964	236.468	GIOMFJVAZJRNQR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006343
ClC1=C(OS(=O)(=O)F)C(F)(F)C1=O	PC-id_71387385	236.554	KHNKWUSAORFLKX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006344
[O-][P+]1=C(C(C1CCl)O)COC(=O)C=C	PC-id_141499032	236.589	WWDKOGFZXLZBIB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006345
OCCSC1=C(Cl)C(C1(F)F)(F)F	PC-id_101666762	236.615	UKXQDZITMLTWKT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006346
C1CC(=C1)OP(=O)(SC1=CCC1)Cl	PC-id_87901304,SCHEMBL5850334	236.656	RIELGJQQEMLICL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006347
C1CC(=C1)OP(=S)(OC1=CCC1)Cl	SCHEMBL5850336,PC-id_87901305	236.656	GMZLJGCGAFVPQG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006348
C=CCC[I-][N+]1=CCC1	PC-id_164063687	237.001	KLZXMYANHVWWSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006349
IC1CC=C1N=C(N)N	SCHEMBL20900453,PC-id_138545431	237.042	OAKXMKASDDJQQC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006350
ClC1(Cl)C(=CC1=O)CCCOC(=O)C	PC-id_10999013	237.08	FMFVTSMCMGZAKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006351
C1CC(=C1)CCC(N)I	SCHEMBL20031151,PC-id_134400098	237.081	VQIYFIAOBOMXHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006352
CC(C)(C)C1=C(N(C1=O)C(C)(C)C)C(C)(C)C	PC-id_164786401	237.209	NDYJEKGKZPKIOR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006353
CC/C(=C/C[C@@H]1C(C(=C1C)C(C)(N)N)CN)/C	PC-id_163538147	237.22	DYTOYOKOEIHRMI-ZGNYCIQWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006354
CC1=C(C)[Si](C1CC(C)(C)C)(Cl)Cl	SCHEMBL8087601,PC-id_22123663	237.241	DYJPGUCHYHSHFX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006355
CCCCNCCCC1CC=C1CC(C)CC	PC-id_154968292	237.246	YYETUXPJHATZEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006356
C=CC(=O)OCCCCCOC(=O)C1[CH]C=C1	PC-id_144440834	237.272	SSFOBDAJVPAGSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006357
O(C1(C(=C(OCC)C1=O)CCCC)C#N)CC	PC-id_10933518	237.295	WPOXGXPROCLRQJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006358
C1(=C(C(=O)C1=O)NCCN(C)C)NCC1CC1	ZINC22_101698733,MCULE-2123469567,STOCK7S-14918,PC-id_53367844,EMOLS-id_35788170	237.298	TYDXWGACGVXPNC-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-006359
C=CCNC1=C(C(=O)C1=O)NCCN(CC)C	PC-id_143205100	237.298	GMJJOPCSQTZVIT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006360
CCC1(C)CC(=C1)C(=O)N(CC(C1CC1)O)C	PC-id_139018114,EMOLS-id_320352143,MCULE-9672659925	237.338	VTPNTZUXLQWOOL-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006361
CC[C@]1(C)C=C(C(=O)N(C)C[C@H](O)C2CC2)C1	ZINC22_1776006793	237.338	VTPNTZUXLQWOOL-GXTWGEPZSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006362
CC[C@@]1(C)C=C(C(=O)N(C)C[C@H](O)C2CC2)C1	ZINC22_1776006794	237.338	VTPNTZUXLQWOOL-JSGCOSHPSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006363
CC[C@@]1(C)C=C(C(=O)N(C)C[C@@H](O)C2CC2)C1	ZINC22_1776006795	237.338	VTPNTZUXLQWOOL-OCCSQVGLSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006364
CC[C@]1(C)C=C(C(=O)N(C)C[C@@H](O)C2CC2)C1	ZINC22_1776006796	237.338	VTPNTZUXLQWOOL-TZMCWYRMSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006365
COC1=C(C=N1)C(=C)CC(=C)SC(C)(C)C	SCHEMBL19289738	237.361	WZDCERKDZCTJIM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006366
CCN(CCC(C(C1CC=C1)CC=C)O)CC	PC-id_142186992	237.381	WILIPSMMPISREI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006367
OC1([C+](C(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_86161407	237.401	XHLDUTJSYNFYSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006368
BrC(=C1CC(=C1)C)Br	PC-id_100988902	237.92	ZLDHEGZTXKYRNN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006369
C[Si+](NC1CC=C1)I	PC-id_163878362	237.954	PQXIQUWADUVUCW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006370
[Se]C1=C([Se])C(=O)C1=O	PC-id_15841793	237.962	YZTVASCBRNMQSI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006371
C1C(=C(C1(F)F)F)C#CC2=C(C(C2)(F)F)F	PC-id_154211354	238.022	GZSNVFZIVRDRAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006372
FC(F)(C1=C(O)C(F)(F)C1=O)C(F)(F)F	PC-id_13587009	238.06	LSSLMYNUNIJFNU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006373
CN1C(C(=C1F)F)C(=O)N(F)[Si](C)(C)C	PC-id_153755679	238.075	XTASUDRGDCVPRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006374
CC(=C)CCN(C)C1=C(C(=O)C1=S)N(C)C	PC-id_155281362	238.114	KAOYDHSBBBZPKT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006375
CN(C)CCCN(C)C1=C(C(=O)C1=S)C=C	PC-id_155281019	238.114	LKQFQFBXRRMCER-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006376
CCCCCNC1=C(C(=O)C1=O)NC2COC2	PC-id_153551373	238.132	NSXRDHDKLPQEIZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006377
CCCCCCCCCCOC1=CC(=O)C1=O	PC-id_154453842	238.157	PFCZHDBBRJFPAE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006378
CC1(C(C=C1N)CC2C=C(C2(C)OC)N)OC	PC-id_154955099	238.168	JRDAOCGHVFIVAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006379
CCC1=C(C(=O)C1=O)N(C)CCCCN(C)C	PC-id_155278221	238.168	UQNGMDLDIDZWEN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006380
CC(C)C1=C(C(=O)C1=O)N(C)CCCN(C)C	PC-id_155281050	238.168	AMDHYWSKUCGTOS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006381
CC(C)(C)C1=C(C(=O)C1=O)NCCCCNC	PC-id_153438626	238.168	LEMZBBGBZRUSMS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006382
CCCN(C)CCCCNC1=C(C(=O)C1=O)C	PC-id_155278220	238.168	JEWWGRZFHDGMMI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006383
CCCN(C)CCCCN(C)C1=CC(=O)C1=O	PC-id_153551336	238.168	WGXCRZVDBVNNRE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006384
CCCN(CC)CCCN(C)C1=CC(=O)C1=O	PC-id_153551468	238.168	SPDIKVXIFOCWGN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006385
C[C@@H]1CC(C1C)[NH+](C1=C(C(=C1)C)C[NH+](C)[O-])[O-]	PC-id_163662948	238.168	IVYDWNGLVWJWRS-DUACVJHASA-N	00001100000000000000000000000000000000000000000000000000	06-01-006386
CCN(CC)CCCCNC1=C(C(=O)C1=O)C	PC-id_155278228	238.168	KIGPVORXEMPAEH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006387
CCN(C)CCCCN(CC)C1=CC(=O)C1=O	PC-id_153551401	238.168	WCKVNMPLYUUMKD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006388
COC(=N)C1(CN)CC=C1OCC(F)(F)F	SCHEMBL18266139	238.207	DECQBHGRFDCUET-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006389
O=C(OC(C)(C)C)N[C@@H]1NC=C1C(F)(F)F	SCHEMBL19275155	238.207	OZXXUZKWQUWIEH-LURJTMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-006390
CC1=C(CC1)C(=O)OC=C(CC1CO1)C(=O)O	SCHEMBL465318,PC-id_87112078	238.237	MMDGPRQGAXNEIP-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006391
CCCCC1=C(CCCC)C(C1(F)F)(F)F	PC-id_121012117	238.265	MNKPZAVKIVKPQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006392
O(C1(C(=C(C(C)C)C1=O)OC)C=CC)C(=O)C	PC-id_10561900	238.28	SCZFJZRAANANPR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006393
O(C1(C(=C(C(C)C)C1=O)OC)/C=C/C)C(=O)C	PC-id_10681391	238.28	SCZFJZRAANANPR-VOTSOKGWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006394
S1(=O)(=O)C(C(O)CS(=O)(=O)C=C)C=C1	PC-id_57529383	238.281	GVPUJTUNHGTHDH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006395
CC(CNC1=C(C(=O)C1=O)NC(=O)C(C)C)C	PC-id_140915635	238.283	XFRQIRDBGPDTAF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006396
C=CCNC(C(=O)C(CC1=CCC1)NC=O)O	PC-id_143358440	238.283	CSWLAQZYXXZPNQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006397
CC1(COC1)COCCCOC=CC1CC=C1	PC-id_90222155	238.323	OBJHHQDBZFYTOW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006398
CC1(COCCCO/C=C/[C@@H]2CC=C2)COC1	SCHEMBL15800666	238.323	OBJHHQDBZFYTOW-PPGNKHEKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006399
CC/C(=C/1C(OC(=O)C)C=C1C(CC)(O)C)/C	PC-id_102207097	238.323	LAKDBPXPLQUMCM-LCYFTJDESA-N	00001100000000000000000000000000000000000000000000000000	06-01-006400
CCC(=C1C(OC(=O)C)C=C1C(O)(C)C)CC	PC-id_101122208	238.323	YCAJIPNIWIXUOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006401
CCCCC1=C(C(C1=O)(O)C(=C)C)OC(C)C	PC-id_101072504	238.323	OKGJVYFYZGGPBF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006402
CCCC(C1=C(O)C(=O)C1=O)(CCCCC)C	SCHEMBL19604154	238.323	AOSIFSUDUNWHRW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006403
CCCCC(C1=C(O)C(=O)C1=O)(CCCC)C	SCHEMBL21445154,PC-id_139566919	238.323	LZNPANKKWHCOMT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006404
CCCCCCCCCCC1=C(O)C(=O)C1=O	SCHEMBL12432430,PC-id_59755485	238.323	BJHPZAKLMNXWFX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006405
CC(=O)CCCCCCCCC1=C(C(=O)O1)C	SCHEMBL10368627,PC-id_70352386	238.323	GYRHANMURUHXCM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006406
O(C1(C(=C(C1=O)C(C)C)OC(C)C)C(=C)C)C	PC-id_10060124	238.323	ZQSQCTNTRDIJKF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006407
O([C@@]1([C@](O)(C(=C1C)C)C#CCCCCO)C)C	PC-id_10354199	238.323	JOFLPEJICCBRRD-UONOGXRCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006408
O(C1(C(O)(C(=C1C)C)C#CCCCCO)C)C	PC-id_85119547	238.323	JOFLPEJICCBRRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006409
O(C1C(O)(C(=C1OC(C)C)C=C(C)C)C=C)C	PC-id_10537903	238.323	JDSSGDQPTFMWRE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006410
O(C1(OC)C(O)(C(=C1CCCC)C=C)C=C)C	PC-id_10014438	238.323	BJKXSQMIAWJFCU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006411
OCCCCC#C[C@]1(O)C(=C([C@@]1(C)OC)C)C	PC-id_101660411	238.323	JOFLPEJICCBRRD-KGLIPLIRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006412
CCCCCNC1=C(C(=O)C1=O)N(CC)CC	SCHEMBL21231008,PC-id_139376786	238.326	CBEINENNMZHPDC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006413
CC(CNC1=C(C(=O)C1=O)NCC(C)(C)C)C	PC-id_122660044,SCHEMBL18194484	238.326	MVKNHOJDGGABLJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006414
CCC(NC1=C(C(=O)C1=O)NC(CC)(C)C)C	SCHEMBL19035678	238.326	OCJLNKWDOYZIQC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006415
CCCN(CCCN(C1=C(C)C(=O)C1=O)C)C	SCHEMBL21230869,PC-id_139376660	238.326	NHHMOWHPSNSCFQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006416
CCCN(CCCNC1=C(C)C(=O)C1=O)CC	SCHEMBL21230871,PC-id_139376662	238.326	HUTUKBVZCNBOTG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006417
CCNC1=C(C(=O)C1=O)NCC(C(C)C)(C)C	SCHEMBL19245638	238.326	JMXOXNOXVRVRIN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006418
CCN(CCCN(C1=C(C)C(=O)C1=O)C)CC	SCHEMBL21230866,PC-id_139376657	238.326	QYGHHCLJSNXDCO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006419
CN(C1=C(C(=O)C1=O)NCCCC(C)(C)C)C	SCHEMBL19161748	238.326	GHWRBMWBRGLEHJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006420
CNC1=C(C(=O)C1=O)NCCCCC(C)(C)C	SCHEMBL21231018,PC-id_139376796	238.326	RVIWYJQWWMSLRM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006421
CN[C@@H](C(C)C)CN(C1=C(C(=O)C1=O)CC)C	PC-id_70995488,SCHEMBL13788427	238.326	IOHKZPNNUOMYNU-SNVBAGLBSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006422
N[C@@H](C(C)(C)C)CNC1=C(C(=O)C1=O)C(C)C	SCHEMBL13605096,PC-id_57982053	238.326	OBRCIVGQDMXYST-MRVPVSSYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006423
O=C1C(=C(C1=O)CC)N(CC(NC)C(C)C)C	PC-id_77966194	238.326	IOHKZPNNUOMYNU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006424
O=C1C(=C(C(C)C)C1=O)NCC(N)C(C)(C)C	PC-id_76695292	238.326	OBRCIVGQDMXYST-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006425
CC(C1=C(P=C1C(C)(C)C)C(C)(C)C)(C)C	PC-id_101960129	238.349	GHCKJUDHSAKXJP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006426
CN(CCCNC1=C(C(=S)C1=O)C(=C)C)C	SCHEMBL21231275,PC-id_139377021	238.349	VEXRGKFYLRSISQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006427
S(C1=C(SC)C(=S)C1=C(C#N)C#N)C	PC-id_12612145	238.352	ZVUHUKLUUYJMHM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006428
CCCCCCC1=CC(C1)C(=O)OC(C)(C)C	EMOLS-id_337901331	238.366	XRLZCSWQXLLMRG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006429
CCCCCCC1=CC(C1)C(=O)OCCCC	PC-id_71583789,EMOLS-id_337898778	238.366	OHMCNGGESVGLHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006430
CCCCCCCC1=C(CC1)C(=O)OCCC	SCHEMBL17728058,PC-id_121317150	238.366	JSSVFLUPYSDREM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006431
C(CC1=C(C(=C)C1=C)CC)C1=C(C(=C)C1=C)CC	PC-id_14291127	238.367	UDWWEHNWIAHJJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006432
CCCCCCCCCCNC(=O)N1CC=C1	PC-id_140001298	238.369	ZCWJTPOSGJAWOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006433
CCC(C(CC(=O)N)C)(CC1N=C([C@@H]1C)C)C	PC-id_71197370,SCHEMBL14539024	238.369	SKLPPQFMQQKEIG-CFFYTZKRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006434
O=C(N)CC(C(CC1N=C(C1C)C)(CC)C)C	PC-id_78027240	238.369	SKLPPQFMQQKEIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006435
[Si](C#C[C@]1(O)[C@@](OC)(C(=C1C)C)C)(C)(C)C	PC-id_10354210	238.398	KYEORRMXGDKUIB-QWHCGFSZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006436
[Si](C#CC1(O)C(OC)(C(=C1C)C)C)(C)(C)C	PC-id_85119552	238.398	KYEORRMXGDKUIB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006437
CCCCCCCC(C1=C(CC1)CNCN)C	SCHEMBL18501029	238.412	XXCYWUVXXGIBNJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006438
CNC(C(CC)C)CC(CC1N(C)C=C1C)C	PC-id_138625563,SCHEMBL20991206	238.412	JQHGDRNNUHJDOM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006439
CN(CCNC(C)(C)C)CCCC1CC=C1C	PC-id_142068167	238.412	DQUXZOAUGRPHRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006440
ClC1(C(=C(C1=O)C#CCCCC)OC)C=C	PC-id_14415861	238.71	CCNPBPYEAPZGJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006441
INC1=C(O)C(=O)C1=O	SCHEMBL19750679	238.968	UXRAXIPDGNWHIU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006442
C1C(=CC1(C(=O)O)N)I	PC-id_88222283,SCHEMBL7926206	239.011	WMUIPRWVMSVERO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006443
[B]N(CC(O)O)C1=C(C(=O)C1=O)OC(C)(C)C	PC-id_163934573	239.097	SDQMSQRYPUFFRE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006444
ClC1(Cl)C(OCC)(O)C=C1CCCC	PC-id_10085548	239.139	ICODRBCBDYUDKS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006445
CC(N1CC=C1)C(=O)OOC(=O)C(F)(F)F	PC-id_140772648	239.149	DUNGEEJCXYQLAC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006446
CN1C=CC1CC(=O)OOC(=O)C(F)(F)F	PC-id_142600055	239.149	RFOWXJRWYYDWDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006447
CCNC1=C(C(=O)C1=O)N(C)CCCN(C)C	PC-id_155034424,CHEMBL4560586	239.163	DKLRVYIBCLXUSJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006448
C=CC(=O)NCCCCOC1=C(O)C(=O)C1=O	SCHEMBL10804036,PC-id_20214595	239.225	UJQMYYIUHILFBH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006449
O(C1=C(N(CC=C)CC(=O)O)C(=O)C1=O)CC	PC-id_53975543	239.225	JUQMSOMDBOIKOQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006450
C=CCC1=CC(=O)N1C(C(=O)OC(C)(C)C)O	PC-id_70556179,SCHEMBL11293236	239.268	DJZQBDWSWQYNSO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006451
CC(CNC1=C(C(=O)C1=O)OC(=O)C(C)C)C	PC-id_140915552	239.268	PJYLABQXUWTNTD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006452
CC(COC1=C(C(=O)C1=O)NC(=O)C(C)C)C	PC-id_140915566	239.268	SQRYZFIGSQZOBD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006453
O(C1=C(OC(C)C)C(=O)C1(O)C[N+]#[C-])C(C)C	PC-id_10331814	239.268	KGSSDWDSFJPZDR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006454
CCCCCCC1=C(CC1=O)N(C(=O)OC)C	PC-id_102177366	239.311	RZYMEQMVDNDFCQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006455
CCCCC(C)(C)N(C)C1=C(C(=O)C1=O)OC	PC-id_87568596,SCHEMBL3747111	239.311	JHLGBANYBSRFQU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006456
CCCCN(C1=C(O)C(=O)C1=O)CC(C)(C)C	PC-id_142311253	239.311	OFGMCMKPDVRANC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006457
CCCCOC1=C(C(=O)C1=O)NC(C(C)C)C	PC-id_19082438,SCHEMBL8604153	239.311	OHQADVHVQUKNGY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006458
CCCCOC1=C(C(=O)C1=O)NC(CC)(C)C	SCHEMBL7602487,PC-id_15838837	239.311	AONBEDNGWLEBOY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006459
CCCCOC1=C(C(=O)C1=O)NC(CC)CC	SCHEMBL7604367,PC-id_54533157	239.311	YXYCDHCWPZCBMB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006460
CCCN(C1=C(C(=O)C1=O)OC(C)C)CCC	PC-id_15458815,SCHEMBL7418982	239.311	ZRIAIPMRFIXJBI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006461
O(C1=C(N(C(C)C)C(C)C)C(=O)C1=O)C(C)C	PC-id_11184030	239.311	NGVMDTJBACHRCL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006462
O(C1=C(N(CCC)CC)C(=O)C1=O)CCCC	PC-id_17819301	239.311	GTBIWMHXENTXTD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006463
C1(=C(C(=O)C1=O)NCCN(C)C)NCC(C)C	ZINC22_101697405,EMOLS-id_35787372,STOCK7S-14445,PC-id_53369463,MCULE-7194918455	239.314	GORBGDKWZGURKJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006464
CCCCNC1=C(C(=O)C1=O)NCCN(C)C	SCHEMBL16255557,PC-id_76318299	239.314	WJRVPSWFZNKKCU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006465
CCCCC1=C(C(=O)C1=O)NCC[N+](C)(C)C	PC-id_101104805	239.334	YVPFUPPOWLYXRF-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-006466
CCN(C(C1CC=C1/C(=C/C)/CP)C)CC	SCHEMBL13056242	239.337	QWZKSBWDZSEZEU-LFYBBSHMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006467
CCN(CC)C(C)C1CC=C1C(=CC)CP	PC-id_89005556	239.337	QWZKSBWDZSEZEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006468
C[C@H](NC(=O)[C@H](C(C)C)N)CNC1CC=C1C	PC-id_138486924	239.357	HKWLFAWUZURKCQ-PRWSFJOGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006469
C[C@H](NC(=O)[C@H](C(C)C)N)CN[C@@H]1CC=C1C	SCHEMBL20834842	239.357	HKWLFAWUZURKCQ-TUAOUCFPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006470
[2H]C1=C(CCCCCC)CC1C(=O)OCCCC	PC-id_102193204,EMOLS-id_337898778	239.372	OHMCNGGESVGLHU-WORMITQPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006471
CCCOC(C(CC1=NCC1(C)C)(C)C)(C)C	SCHEMBL18501131	239.397	SRQLFVRZEMTTCV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006472
CCC(CCC(N=CCCC1CC#S1)C)C	PC-id_138749029	239.42	GRAFUHJVGQTAEB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006473
CCC(CCC(/N=CCCC1CC#S1)C)C	SCHEMBL21130762	239.42	GRAFUHJVGQTAEB-GDNBJRDFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006474
CCN(CC)C1=C(C(=C1C)SC)C(C)(C)C	PC-id_134888366	239.42	SKYBNUMDCSMTIA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006475
BrC1=C(Br)C(=O)C1=O	PC-id_86158255	239.85	AOWAGISKHWYKSC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006476
BrC1(C(Br)(C=C1)C)C	PC-id_85783828	239.936	ZSUCLCGGJCOGIE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006477
BrC1(C(Br)C=C1C)C	PC-id_85783830	239.936	WSVAUHYSCMWQES-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006478
BrC1C(=CC1Br)CC	PC-id_85649426	239.936	VZOCFUPAHOCSCT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006479
C[C@@H]([C@]1(C(C=C1CBr)F)C)Cl	PC-id_163781732	239.972	MPDRLGRULUCZBJ-IRAGSFCVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006481
[SeH]C1=C([SeH])C(=O)C1=O	PC-id_71383166	239.977	JQQALUGGDNORHX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006482
CC1=CC(=C1Br)CC=C1CC(C1)O	PC-id_163845171	240.015	OPNJYTGALDDSSO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006483
O=C(C1=CCC1)NCC(Br)(F)F	EMOLS-id_263564161	240.045	VLOVEZQPWQEXKD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006484
CC1=C(C(=S)C1=O)N(C)CCCCN(C)C	PC-id_155278551	240.13	UJKOOQYAJDTKFY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006485
CCC1=C(C(=O)C1=S)N(C)CCCCNC	PC-id_155281064	240.13	ZXKCXCIPGQCSKW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006486
CC(C)C1=C(C(=O)C1=S)NCCCN(C)C	PC-id_155278516	240.13	GQUMDQQGLDTIRO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006487
CC(C)(C)C1=C(C(=O)C1=S)NCCCNC	PC-id_153438621	240.13	XWNCOVAKMWYTAP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006488
CC(C)(C)C1=C(C(=S)C1=O)NCCCNC	PC-id_153438594	240.13	ZCEDUHCEZRETKP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006489
CC(C)CCCNC1=C(C(=S)C1=O)N(C)C	PC-id_155278332	240.13	CLGHMBLMUIIICW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006490
CC(C)CCCN(C)C1=C(C(=O)C1=S)NC	PC-id_155281317	240.13	HVZVVIWQBHBJRC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006491
CC(C)CCCN(C)C1=C(C(=S)C1=O)NC	PC-id_155278359	240.13	BZUVASPHDQQJRG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006492
CCCCCNC1=C(C(=O)C1=S)N(C)CC	PC-id_155278247	240.13	JRXZKSQKBDKHRX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006493
CCCCCN(C)C1=C(C(=O)C1=S)NCC	PC-id_155278239	240.13	OSZFMKIWQCBHNO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006494
CC(C)CCN(C)C1=C(C(=S)C1=O)N(C)C	PC-id_155278266	240.13	VXDJYUZJZQJZGA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006495
CCCCNC1=C(C(=O)C1=S)N(CC)CC	PC-id_155278358	240.13	NYFLNIQTFGZIAE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006496
CCCCN(C)C1=C(C(=O)C1=S)N(C)CC	PC-id_155278341	240.13	XYARABTVGGORII-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006497
CCCN(C)C1=C(C(=S)C1=O)N(CC)CC	PC-id_155278375	240.13	IBQJOGRTKRHPLD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006498
CCCN(C)CCCCNC1=CC(=O)C1=S	PC-id_153333275	240.13	OUSGRXYKMROOBT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006499
CCCN(CCC)CCNC1=CC(=O)C1=S	PC-id_153333370	240.13	XRVQMHUZVDANBN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006500
CCCN(C)CCCCNC1=CC(=S)C1=O	PC-id_155281065	240.13	HPONFCZZYWPLAL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006501
CCCN(C)CCCNC1=C(C(=O)C1=S)C	PC-id_153333305	240.13	KGBHEJOCDPHVEJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006502
CCCN(CC)CCNC1=C(C(=O)C1=S)C	PC-id_155278242	240.13	HXSVCUALBAAHQO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006503
CCCN(CC)CCNC1=C(C(=S)C1=O)C	PC-id_155278522	240.13	VGDZXBUVWLSKMB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006504
CCCN(CC)CCN(C)C1=CC(=O)C1=S	PC-id_153547796	240.13	FGFWNQGVESVVAH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006505
CCCN(CC)CCN(C)C1=CC(=S)C1=O	PC-id_153333403	240.13	PEQIIJFJUKYYRE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006506
CCCN(C)CCCN(C)C1=CC(=S)C1=O	PC-id_153551328	240.13	CWENOBCBVBHHEA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006507
CCN(C)C1=C(C(=S)C1=O)NCCC(C)C	PC-id_155278250	240.13	LZQLHFQBWJTXBJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006508
CCN(CC)CCCCNC1=CC(=S)C1=O	PC-id_153551266	240.13	QGCOMWRVEWTWOT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006509
CCN(CC)CCCN(C)C1=CC(=S)C1=O	PC-id_153547959	240.13	YAGQIYPBGUANGR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006510
CCC(C(CC1(CC1)CC)[S-]1=CCC=1)N=O	PC-id_163811470	240.143	YHWIFCXDXOXTTL-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006511
CCN(CCN)C1=C(C(=O)C1=O)N(C)CCN	PC-id_155056370	240.159	PPBWJFZKBZWUPI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006512
CCCCCCCCCCCCOC1=COC1	PC-id_154299705	240.209	HUEZUWOGXPOOGX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006513
CCOC(=O)C#CC1(C(=C(C1=O)OC)OC)O	PC-id_134892974	240.209	QUWWKXDEMHNTBT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006514
OC(=O)CC(C1=COC1C(=O)C(=C)C)C(=O)O	PC-id_140274770	240.209	WLBYCXVNHDRPMK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006515
C=CCOC1=C(C(C1=O)(OC)OCC=C)OC	PC-id_101894411	240.252	QJLLKYXWJURPPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006516
O(C1=C(OCC)C(=O)C1(O)C#CCOC)CC	PC-id_11053760	240.252	UVQRJTDUKYIHHL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006517
CCC(CC)(C(N)NC1=CC(=O)C1=O)C(=O)O	PC-id_88121781,SCHEMBL7266254	240.256	JQXOBQWXMFNGPY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006518
CCCCNC1=C(C(=O)C1=O)NCCC(=O)O	SCHEMBL16255554,PC-id_56970825	240.256	YZXVLROJDFBWLD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006519
CCN(C1=C(C(=O)C1=O)NC(C(=O)O)C)CC	PC-id_139974655	240.256	CSCPFWLUISTQOD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006520
CCN(CC)N(CCC(=O)O)C1=CC(=O)C1=O	SCHEMBL7266257,PC-id_88121782	240.256	NTFMYISRKMSTJF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006521
CCN(N(C1=CC(=O)C1=O)C(C(=O)O)C)CC	PC-id_142107298	240.256	JEHCXOAPBLLESN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006522
O=C(N(CC1=C(N)C(=O)C1=O)C)OC(C)(C)C	PC-id_142659092	240.256	PFPSPQJZXMWOGC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006523
CC(C1(C)OC(=C1C)O)C/C=C/C(=O)OCC	PC-id_101194197	240.296	BYXXAERMJOLZBM-SOFGYWHQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006524
C=CCC1(O)C(=O)C(=C1OC(C)C)OC(C)C	PC-id_101186047	240.296	DSUDUUPQUZTLEI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006525
CCCC(C1CC(=C1C(=O)OC)C(=O)OC)C	PC-id_100947327	240.296	XXSJNZUMTFMNME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006526
CCOC1=C(CC(=C)C)C(=O)[C@@]1(OC)OCC	CoCoCo_5765130,NSC698082	240.296	VLEUGYZIWVWOML-CYBMUJFWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006527
CCOC1=C(CC(=C)C)C(=O)[C@]1(OC)OCC	CoCoCo_5765131	240.296	VLEUGYZIWVWOML-ZDUSSCGKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006528
O(C1(OC)C(=C(C1=O)CC(=C)C)OCC)CC	PC-id_394537	240.296	VLEUGYZIWVWOML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006529
O(CC(CC)C)C1=C(OCCCC)C(=O)C1=O	PC-id_71393224	240.296	GALBUHVIEDFAHE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006530
CCOC1=C(C(=O)C1=O)N(CCCN(C)C)C	PC-id_117711200,SCHEMBL16255509	240.299	ZBMALVDRBCNCBQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006531
CN(CCOCCN(C1=C(C)C(=O)C1=O)C)C	SCHEMBL21231198,PC-id_139376954	240.299	KKQOMMQLMFJWKX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006532
O(CCCNC1=C(NCCCC)C(=O)C1=O)C	PC-id_85961185	240.299	VVLIFVOIGIMJQE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006533
CCCCOC1=C(C(=O)C1=O)[N+](C)(C)CCC	SCHEMBL8413736,PC-id_88294891	240.319	RWZYOHGCHHQCPF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006534
[Si](C)(C)(C)C#CC1(O)C(=C(OC)C1=O)OC	PC-id_85574271	240.328	GBNAMXFJDJOIDF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006535
[Si](OC1(C(=C(OC)C1=O)OC)C#C)(C)(C)C	PC-id_85574253	240.328	UHKJXAKMTWKHDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006536
CCCCCN(C1=C(C(=O)C1=S)N(C)C)C	PC-id_139376920,SCHEMBL21231162	240.365	SJHQBMZTIKTOGH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006537
CCCCCN(C1=C(C(=S)C1=O)N(C)C)C	PC-id_139376674,SCHEMBL21230883	240.365	WOVYZGCEZRHVLH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006538
CCCCCN(C1=C(C(=S)C1=O)NCC)C	PC-id_139376814,SCHEMBL21231036	240.365	NPAVURIEUIEJFB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006539
CCCCCNC1=C(C(=S)C1=O)N(CC)C	SCHEMBL21230881,PC-id_139376672	240.365	PWILIVIYIVVNHI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006540
CCCN(C1=C(C(=O)C1=S)N(CC)CC)C	SCHEMBL21231168,PC-id_139376926	240.365	HBYKIVRXLWHSIN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006541
CCCN(CCCNC1=C(C)C(=S)C1=O)C	PC-id_139376758,SCHEMBL21230980	240.365	OGPFQAZYIOWDFS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006542
CCCN(CCN(C1=C(C)C(=S)C1=O)C)C	PC-id_139377005,SCHEMBL21231259	240.365	UXKVKJURJCNHFA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006543
CCN(CCCCNC1=C(C)C(=O)C1=S)C	SCHEMBL21230977,PC-id_139376755	240.365	DQZXQMPXJFKLQF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006544
CCN(CCCCNC1=C(C)C(=S)C1=O)C	SCHEMBL21231004,PC-id_139376782	240.365	KGVQCEXXJURRQT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006545
CCN(CCCNC1=C(C)C(=O)C1=S)CC	PC-id_139376772,SCHEMBL21230994	240.365	PNHNSUFLJWHMNR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006546
CCN(CCCN(C1=C(C)C(=O)C1=S)C)C	SCHEMBL21230988,PC-id_139376766	240.365	GRSAHZNSQMRKHC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006547
CCN(CCCNC1=C(C)C(=S)C1=O)CC	PC-id_139376792,SCHEMBL21231014	240.365	LWHRQESRONYYHW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006548
CCN(CCN(C1=C(C(=O)C1=S)CC)C)C	PC-id_139376933,SCHEMBL21231175	240.365	JPMCFEJFGQVLAP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006549
CCN(CCN(C1=C(C(=S)C1=O)CC)C)C	SCHEMBL21231256,PC-id_139377002	240.365	HQSWDPSAPRBCIB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006550
CN(CCNC1=C(C(=O)C1=S)C(C)(C)C)C	SCHEMBL21231170,PC-id_139376928	240.365	ZYZRIFIAZMVEIH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006551
CN(CCNC1=C(C(=S)C1=O)C(C)(C)C)C	PC-id_139377000,SCHEMBL21231254	240.365	LKRJZYTVNDNVFX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006552
COC(=O)C1=CC(=C)C1(OC)C[Si](C)(C)C	PC-id_101943036	240.371	AXUVQGYAJDMHEV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006553
CCCCCCC(CC1=CSC1)CCCC	PC-id_144724010	240.448	SKHRVPUYDDJTKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006554
CCCCCCCCCCCCC1SC=C1	SCHEMBL6826520,PC-id_69268384	240.448	NJIHVNLOEKSXML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006555
NC(=O)C1=NC(=C1[Si](C)(C)C)[Si](C)(C)C	PC-id_23223800,SCHEMBL7806480	240.45	UKJQKBXRBKINIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006556
BrC1C(=NC1=O)CBr	PC-id_139635899	240.881	XBEAPZFTPODZLR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006557
CC1=NC(=O)C1(Br)Br	PC-id_140368124	240.881	VQPYQOSMNJBVPG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006558
[Ge](C1CC=C1)(CCCCCC)(C)C	PC-id_46919507	240.959	DQSDVJNZWWODPD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006559
CCCC(C(=O)O)NC1=C(C(=O)C1=O)OCC	PC-id_153731336	241.095	HWJBGURGVGZOCC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006560
O(C1=C(NC(C(C)C)C(=O)O)C(=O)C1=O)CC	PC-id_86000920	241.24	HFGRVVCDORWPOO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006561
COC(=O)CCC(C(=O)O)NC(=O)C1=CCC1	PC-id_89297559,SCHEMBL14300366	241.241	DRRYEOJBGAUMMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006562
CC([C@H](/C(=C/CC)/OC)NC1=CC(=O)C1=O)F	PC-id_142810354	241.259	OLZJTRAPAYZUQE-UJVTXFHUSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006563
[O-][P+]1=C(CC1CCCC)CN(C(=O)C=C)C	PC-id_141133313	241.266	HFYRETJXFXMMNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006564
CCCCOC1=C(C(=O)C1=O)NC(CO)(C)C	PC-id_54032525,SCHEMBL7887050	241.284	LGPHKVOLLWECJR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006565
CCCCOCCOCCOC(=O)C1=NC=C1	PC-id_17976785,SCHEMBL9515030	241.284	HARKIUAKYWPWGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006566
CN(C)C1=C(CC1CCC(=O)OC)C(=O)OC	PC-id_134921693	241.284	HQQDBJAVEKIBBJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006567
O(C(C)(C)C)C(=O)CNC1=C(CC1)C(=O)OC	PC-id_10705271	241.284	FQVZPCRJZBFTOI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006568
OC(=O)CN(C1=CCC1C)C(=O)OC(C)(C)C	PC-id_144325141	241.284	ZOFWXVLGUPOEMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006569
C1(=C(C(=O)C1=O)NCCCN(C)C)NCCO	STOCK7S-07973,ZINC22_101682820,PC-id_51053784,MCULE-4096150889,EMOLS-id_31666650	241.287	QYDHEYGWPYAPEV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006570
C1(=C(C(=O)C1=O)NCCCO)NCCN(C)C	PC-id_53368735,STOCK7S-13084,EMOLS-id_35785128,MCULE-2068412152,ZINC22_101694157	241.287	VJLBBTPOOCRZNS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006571
C1(=C(C(=O)C1=O)NCCN(C)C)NCC(C)O	MCULE-1412138746,PC-id_53370713,EMOLS-id_300530869	241.287	RVYHZQWNRPEYIK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006572
C1(=C(C(=O)C1=O)NCCN(C)C)NC[C@@H](C)O	ZINC22_101695251,EMOLS-id_35786058,MCULE-3751259271,PC-id_71964885,STOCK7S-13640	241.287	RVYHZQWNRPEYIK-SSDOTTSWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006573
C1(=C(C(=O)C1=O)NCCOC)NCCN(C)C	MCULE-9327471546,EMOLS-id_35790423,PC-id_53369480,STOCK7S-16338,ZINC22_101702829	241.287	ZOCCSWLDQDTKHE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006574
C[C@H](O)CNC1=C(NCCN(C)C)C(=O)C1=O	PC-id_98300520,ZINC22_102341160	241.287	RVYHZQWNRPEYIK-ZETCQYMHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006575
C=C[C@@H]1C=C[C@]1(C)C(=O)NS(=O)(=O)C1CC1	PC-id_144537781	241.307	KIAYEBZBEJIMPZ-KCJUWKMLSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006576
CCOC1=C(C(=O)C1=O)NCCC[N+](C)(C)C	PC-id_101548258	241.307	PBIVHFFGDQRJJS-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-006577
O(C1(OC)C(=C(C1=O)C)CCN(CC)CC)C	PC-id_10060259	241.327	ZDBVZLMPPBBXLB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006578
O=C(N1CC=C1C(C(C)(C)C)O)OC(C)(C)C	PC-id_102227612	241.327	NDQKDBZRPZWXLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006579
[Si](CCOC(=O)C1C(C=C1)C(=O)[O-])(C)(C)C	PC-id_78067376	241.336	OEZHDVBRMCYPRF-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-006580
[Si](CCOC(=O)[C@H]1[C@H](C=C1)C(=O)[O-])(C)(C)C	PC-id_71412252	241.336	OEZHDVBRMCYPRF-DTWKUNHWSA-M	00001100000000000000000000000000000000000000000000000000	06-01-006581
CCCCCC(COCCC(C1=CC=N1)C)F	PC-id_70371157,SCHEMBL10448931	241.345	TVMYZHXQPWRYGR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006582
NCC(C(=C)NC)C(NCC(C1=CCC1)F)C	PC-id_138645908,SCHEMBL21014017	241.348	DELULSFAQRKUIH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006583
S(=C)(C1=C(N(C(C)C)C)C(=O)C1=O)C(C)C	PC-id_57981986	241.35	BTHGODQTAINRST-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006584
N#CCCCC(C1=CC=C1)(C1CCC1)C1CCC1	PC-id_138747550,SCHEMBL21129208	241.371	VAYBKQHLSCQMEJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006585
[Si](OCC1C(C=C1)C(=O)N)(C(C)(C)C)(C)C	PC-id_15333804	241.402	BYAPEUHWXJCNOX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006586
[Si](OC[C@H]1[C@H](C=C1)C(=O)N)(C(C)(C)C)(C)C	PC-id_10490314	241.402	BYAPEUHWXJCNOX-UWVGGRQHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006587
SCCCCC(C1=C(CC1)C)C(NC)CC	PC-id_141780980	241.436	GQQNCIXVHHIPBL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006588
CC1=[I]C(C1)(C)[C@@H](C)F	PC-id_163750031	241.997	LPFAGVFHRZUBTA-ULUSZKPHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006589
CC1=C(C(=S)C1=S)NCCCCN(C)C	PC-id_155278537	242.091	AFIOGGXPPVUECU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006590
CC(C)(C)C1=C(C(=S)C1=S)NCCCN	PC-id_153438624	242.091	ZMFXRCKWPQRJFW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006591
CC(C)(C)C1=C(C(=S)C1=S)NCCNC	PC-id_153438711	242.091	SEJYNCZEJIXFBF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006592
CC(C)CCCCNC1=C(C(=S)C1=S)N	PC-id_152848051	242.091	TUQCHITWXSPOSD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006593
CCCCCNC1=C(C(=S)C1=S)NCC	PC-id_155278393	242.091	LZUMMXUPHINDKE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006594
CCCCCNC1=C(C(=S)C1=S)N(C)C	PC-id_155281068	242.091	XDRDKPMQKDYMGP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006595
CCCCNC1=C(C(=S)C1=S)N(C)CC	PC-id_147832160	242.091	HRHSAKNNABGUAZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006596
CCCCN(C)C1=C(C(=S)C1=S)N(C)C	PC-id_153551427	242.091	WQDXYWKESPKRMJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006597
CCCNC1=C(C(=S)C1=S)N(CC)CC	PC-id_155278262	242.091	MDVVIIACUXNHHM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006598
CCCN(CC)CCNC1=CC(=S)C1=S	PC-id_153333445	242.091	KNRHFCKGJVKETF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006599
S(=O)(=O)(F)OC1(F)C(F)(F)C(=C1F)F	PC-id_85859637	242.096	OSNRVYCRLAABDF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006600
CC1=C(C(=S)C1=O)N(C)CCOCCNC	PC-id_155278550	242.109	KJACXUJOHPMLMD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006601
COC(=O)C1=C(CC1COC(=O)C)C(=O)OC	PC-id_100947329	242.225	ZZEWJRSOAGPFEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006602
COC(=O)[C@H]1C=C[C@H]1C(C(=O)OC)C(=O)OC	PC-id_135041138	242.225	HFEBSXVVNVGZBM-RQJHMYQMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006603
NN/C(=NN)/CCCN(C1=C(O)C(=O)C1=O)N	PC-id_144561792	242.235	QSUNQYSWLHWTGH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006604
CN(C1=C(C(=C1C(=O)O)[N+](=O)[O-])[N+](C)(C)C)C	PC-id_101028601	242.252	BBDIOHIWZBHORI-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-006605
CCC(CCS(=O)(=O)C1=CCC1F)(F)F	PC-id_139337828	242.259	VWKBVVWCZRSFQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006606
CCC(CCS(=O)(=O)C1=CC[C@H]1F)(F)F	SCHEMBL21186603	242.259	VWKBVVWCZRSFQH-SSDOTTSWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006607
C=CCOC1=C(C(C1=O)(OC)OCC)OCC	PC-id_101894415	242.268	QPUQGWKJZNQEPZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006608
OC(CC1=CCC1)(C(=O)OCC)C(=O)OCC	PC-id_12592060	242.268	KBJWPBGUTVVDDI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006609
COS(=O)O[C@@H]1C=C[C@@H]1OS(=O)OC	PC-id_102268972	242.27	KKDXDRFGRLHQAA-FJUWEUQCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006610
CCCCOC1=C(C(=O)C1=O)[N+](CCO)(C)C	SCHEMBL8411792	242.292	SKOXPJHFQCEJGH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006611
CCCCOC1=C(C(C1=O)(C)O)OCCCC	SCHEMBL15462777,PC-id_89960827	242.311	YMZNJUOUYNMPCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006612
OC1(C(C)C)C(=C(OC(C)C)C1=O)OC(C)C	PC-id_10421855	242.311	FZFIHOIULOWAHF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006613
CN(CCOCCNC1=C(C)C(=O)C1=S)C	SCHEMBL21230979,PC-id_139376757	242.338	YTQMUDHXHJNRRH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006614
O=C1C(=O)C(=C1NC(S)(C)C)NC(C)(C)C	SCHEMBL21159863,PC-id_139314406	242.338	LVUGOVPYYIKNIM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006615
COC(=O)[C@H]1C=C([C@H]1C(=O)OC)[Si](C)(C)C	EMOLS-id_337899546	242.344	FASIISPWQODVPB-CBAPKCEASA-N	00001100000000000000000000000000000000000000000000000000	06-01-006616
[Si](CCOC(=O)C1C(C=C1)C(=O)O)(C)(C)C	PC-id_74035289	242.344	OEZHDVBRMCYPRF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006617
[Si](CCOC(=O)[C@H]1[C@H](C=C1)C(=O)O)(C)(C)C	PC-id_23255110	242.344	OEZHDVBRMCYPRF-DTWKUNHWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006618
COC(=O)C1=C(CC1)O[Si](C)(C)C(C)(C)C	EMOLS-id_336547589	242.387	XAHNDZZNOBPUDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006619
[Si](C1=C([C@H](OCC)[C@@H]1C)C(=O)OC)(C)(C)C	PC-id_10633949	242.387	NTLVMCLDIMFHIQ-WCBMZHEXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006620
[Si](C1=C(C(OCC)C1C)C(=O)OC)(C)(C)C	PC-id_85213727	242.387	NTLVMCLDIMFHIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006621
IC1=C(Cl)C(=O)C1=O	PC-id_85582113	242.399	HIGZFOZMJDMYSY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006622
CCC1=C(C(=S)C1=S)NCCCN(C)C	SCHEMBL21230921,PC-id_139376711	242.404	TURBKXFHOLDHHH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006623
CCCCCN(C1=C(C(=S)C1=S)NC)C	PC-id_139377014,SCHEMBL21231268	242.404	XINQDUYAKDYZLJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006624
CNCCCCNC1=C(C(=S)C1=S)CC	PC-id_139376715,SCHEMBL21230925	242.404	KHFVVCNDHFYVEA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006625
CN(CCCN(C1=C(C)C(=S)C1=S)C)C	SCHEMBL21230919,PC-id_139376709	242.404	UJSVGHKNQGAVJR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006626
NCCN(C1=C(C(=S)C1=S)C(C)(C)C)C	SCHEMBL21230908,PC-id_139376698	242.404	KMIGJTWMCOJNOB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006627
CC(C)(C)C(=O)OC1=C(C(C1(F)F)F)Cl	PC-id_88689401,SCHEMBL10907358	242.623	RXZKUSUJPPSYCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006628
CN(C)C1=C(C(=S)C1=S)N(C)CCCN	PC-id_164156664	243.086	ZJIMATOHJUHMFD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006629
COCCOCCNC1=C(C(=O)C1=O)OCC	MCULE-6044655050,EMOLS-id_192732412	243.256	ROPVXYOHLKIUFE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006630
O=CC1=C(C=N1)SSC(=O)CCC(=O)C	PC-id_142770266	243.303	HORUWCLVXBMQER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006631
CC(C(C(N)N)C(=O)C)NCC(C1=CCC1)F	SCHEMBL19943292,PC-id_134321571	243.321	OVUJHPHRTUWHLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006632
CC(N(C1=C(C(=O)C1=O)S(=O)C(C)C)C)C	SCHEMBL13605187,PC-id_57982000	243.323	FBGRDSSZXSHCPB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006633
O=CC(CC1CC=C1)SNCCC(=O)OC	PC-id_145564032	243.323	XIODWGOISALFHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006634
S(=O)(=O)(C1=C(C(C)(C)C)C(=N1)C(C)(C)C)C	PC-id_85866602	243.366	AZGUSMBTKLVTLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006635
CC/C(=C/C=C)/C=C(/C)N(C)C(C)C1=CC(=C1)C	PC-id_135192501,SCHEMBL20345155	243.387	KVTNIFSDFWWWBA-RRIRYKSOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006636
CCC/C(=C(/CNC1=C(C)C(=C)C1=C)C=C/C)/C	PC-id_143346220	243.387	XEZIHRADMALQDE-XXNDDHLVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006637
CC(COC1=C(Cl)C(=O)C1(Cl)Cl)C	PC-id_11791389,SCHEMBL4605390	243.515	QYRZJFUHNZMPNU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006638
ClC1(Cl)C(=C(Cl)C1=O)OCCCC	PC-id_85775818	243.515	CGNZQALJMNLBHV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006639
ClC1=C(N)C(O)(CC(=O)C(C)(C)C=C)C1=O	PC-id_11139348	243.687	FUIMUVMLZPWQAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006640
C=CC(C1(O)C(=O)C(=C1N(CC)CC)Cl)C	PC-id_101639138	243.73	PNDBCFGGBMEJBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006641
ClC1=C(N(CC)CC)C(O)(CC(=C)C)C1=O	PC-id_10263836	243.73	MYSAPFJFNQRESW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006642
BrCCC1=CC(Cl)(Cl)C1=O	PC-id_15709071	243.913	LFODLILGRLNXNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006643
C1=C(C(C1(C(F)(F)F)C(F)(F)F)(F)F)F	PC-id_154967035	243.993	JLRZTSDBZUQKJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006644
C1=C(C(C1(F)F)(C(F)(F)F)C(F)(F)F)F	PC-id_154967034	243.993	BDUFQTLZASDPNM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006645
CC(C)(C)OC(=O)CC1=CC=C1Br	PC-id_164023771	244.01	VBTYPSBRPGLUGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006646
CC1C=C(C1C)C(C(F)(F)S(=O)(=O)O)F	PC-id_147159571	244.038	BVOJKDJXMMBRDF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006647
C1(=C(C(C1(F)F)(F)F)C(F)(F)F)C(F)F	SCHEMBL249710,PC-id_87084007	244.058	BQSZZWNLPZVDPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006648
C1(=C(C(C1(F)F)(F)F)F)C(C(F)F)(F)F	SCHEMBL251542,PC-id_87084300	244.058	VSLZHKICZQMJDK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006649
FC1(F)C(=C(F)C1(F)F)C(F)C(F)(F)F	PC-id_71391353	244.058	RHJWLZLXFPHOAX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006650
FC(C(C1=CC(C1(F)F)(F)F)(F)F)(F)F	PC-id_140118160	244.058	QZDCWUZUTDVHPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006651
CN(C)C1=C(C(=S)C1=O)NCCCCS	PC-id_155281316	244.07	ZUGZGXUUPPJLRF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006652
IC=CC1=CC(=CC=C)C1	PC-id_76706815	244.072	HDCDYYSIONVZOA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006653
I/C=C/C1=C/C(=C/C=C)/C1	SCHEMBL12713614,PC-id_58220078	244.072	HDCDYYSIONVZOA-GOZDTHDVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006654
CCOP(=O)(C1C=C(C1(F)F)F)OCC	PC-id_117063957	244.148	YSUUOWQXOBDUHT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006655
FC1(F)C(=C(F)C1(F)F)[N+](CC)(CC)CC	PC-id_21731358	244.225	JKPQPEPAIPOUNZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006656
O(C1(OC)C(C(=C1C(=O)OC)C(=O)OC)C)C	PC-id_11032106	244.241	YAVHLESZPITESQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006657
CCOC1=C(C(C1=O)(OCC)OCC)OCC	PC-id_12500887,SCHEMBL11524694	244.284	ISAVLKCDXQWISG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006658
S(COC(=O)C1=C(C(C1)CCC)C(=O)O)C	PC-id_11276605	244.307	AJDYKOIXGKXRBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006659
S(COC(=O)C1=C(CC1CCC)C(=O)O)C	PC-id_11299551	244.307	FAYPRAJNOSTXQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006660
S1(=O)(=O)C(C(C)(C)C)(C(=C1)C(C)(C)C)C=O	PC-id_14905240	244.35	AZZGJGBTYMSBEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006661
CCC/C=CC=C(CNC1=C(N)C(C1=C)C)/C=C	PC-id_143345221	244.375	CPJPQSWYBAYQEQ-MYSCJDEHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006662
NCCOCCN(C1=C(C)C(=S)C1=S)C	PC-id_139376808,SCHEMBL21231030	244.377	JENHXDUWHAADDO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006663
CC1CC(=C1O[Si](C)(C)C)O[Si](C)(C)C	SCHEMBL11236306,PC-id_10657975	244.478	LYGTXSYDOXFKRK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006664
[Si](C1=C([Si](C)(C)C)C(=C1C#C)C#C)(C)(C)C	PC-id_11810726	244.48	UIJQMEILEQNLIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006665
C1(=C(CC1CCCC)Cl)C(=O)C(=O)OCC	PC-id_53274889,MCULE-1210385329	244.715	CRVUHOMQYSULBU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006666
CC1=C(C(=O)C1=O)NCC(C(C)(C)C)NCl	PC-id_89128842,SCHEMBL13612564	244.718	XTYNMHNCXMWZPX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006667
ClN[C@@H](C(C)(C)C)CNC1=C(C)C(=O)C1=O	SCHEMBL16350421,PC-id_117783102	244.718	XTYNMHNCXMWZPX-SSDOTTSWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006668
CCCC[Sn](=O)C1=CCC1	PC-id_140172541	244.897	BEKOTWZWFYEENL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006669
C1#CS(=O)(=O)C1([P+](=O)O)P(=O)(O)O	PC-id_88028573	245.064	HXGCQZRUYSVRST-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-006670
CCC(=O)ONC1=C(C(=O)C1(C)C)S(=O)C	PC-id_153891433	245.072	OFHQEMHXTCWNAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006671
C=CCN(C(=O)C1=NC(=C1Cl)Cl)CC=C	SCHEMBL11216709,PC-id_70540522	245.105	WRJCVUYXGDYVTC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006672
BrCC(=O)NC1=CN=C1C(C)(C)C	PC-id_142798109	245.116	BFBXRFFAHHYYDF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006673
CCCCC(C1=CCC1)CCCBr	PC-id_88595290,SCHEMBL10335962	245.199	KQGMBDALJPREBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006674
CCCCCC1=C(CC1)CCCBr	SCHEMBL10335963,PC-id_88595291	245.199	WIXUZQNZMAYAPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006675
CC/C=C(CC)/N/C(=C/CC)/C=CC1=CC(C1)C	PC-id_163569843	245.214	FYJONZWYXGKGED-FDNSCKQDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006676
CC[C@@H](C)C(=NC1C=CC1/C(=C/C=C)/CC)CC	PC-id_164005361	245.214	UMOIBUJDRZSPCC-YXXKVXOXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006677
[Se](C1=C(CC1C(=O)C)CCCC)C	PC-id_11447947	245.22	MTQHQMNPVROVBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006678
CCOC1=C(C(=O)C1=O)NCCC(OC)(F)C	PC-id_139842413	245.247	AJEFAXVNQWPNGP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006679
S(C([C@@H](N)C(=O)O)(C)C)C1=C(O)C(=O)C1=O	PC-id_44179609	245.252	URRZYCXXYBDTHX-ZETCQYMHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006680
S(C([C@H](N)C(=O)O)(C)C)C1=C(O)C(=O)C1=O	PC-id_44179610	245.252	URRZYCXXYBDTHX-SSDOTTSWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006681
S(C(C(N)C(=O)O)(C)C)C1=C(O)C(=O)C1=O	PC-id_74941843	245.252	URRZYCXXYBDTHX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006682
OC(=O)C(NC1=C(S(=O)C)C(=O)C1(C)C)C	PC-id_142164935	245.295	HQYUFBLPLBPLIY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006683
[18F]CCOCCOCCOCC1=CC(C1C)C	SCHEMBL6726473	245.321	OVQNWRXDYNXOMC-UMSOTBISSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006684
CCC1=C(NC1)C(CC)(/C(=C/C)/C)/C(=C/C)/C=C	PC-id_134333674,SCHEMBL19956837	245.403	KCKVVUDOTGTXIA-OOVVNSOSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006685
CC(CCC1=C(C(=C)C1=C)N(C(=C)C(C)C)C)C	PC-id_137470673,SCHEMBL20711248	245.403	PWMVAAKIRMWSKJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006686
CCCCCCC1CC=C1/C(=C/C=NC(=C)C)/C	PC-id_138654876	245.403	DHQSOUSVEDMWIT-DNWSIMAJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006687
CCCCCCC1CC=C1/C(=C/C=NC(=C)C)/C	SCHEMBL21023673	245.403	DHQSOUSVEDMWIT-MNPLYOLFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006688
ClC(=C1C(=C(Cl)Cl)C(=O)C1=O)Cl	PC-id_85828905	245.875	LGNXNAPEBWKVST-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006689
C1C(C=C1F)OSI	PC-id_154990207	245.901	MXAIWUCWPGKWOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006690
COOC1=C(OO)/C(=C/[N+](=O)[O-])/C/1=C/[N+](=O)[O-]	PC-id_142819703	246.131	DEHINDOIIDMOEB-HZDAAVBUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006691
O=C1C(=C(C1=O)NCC=CCP(=O)(O)O)N	PC-id_54243062,SCHEMBL2168168	246.157	QRIYUGMMSGNTDO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006692
O=C1C(=C(C1=O)NC/C=C/CP(=O)(O)O)N	PC-id_9942900,SCHEMBL2152646	246.157	QRIYUGMMSGNTDO-OWOJBTEDSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006693
PN(C(C)(C)C)C1=C(C(=O)C1=O)N(P)C	PC-id_143359709	246.183	TUINLGDPVCUYBF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006694
CCCCC1=C(C(=C(C)C)C1=C(C)C)CCCC	PC-id_164887659	246.235	VXNMSGNFVVSBFP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006695
C(CNCCO)C1=C(C(=O)C1=O)CP=S	SCHEMBL15893503,PC-id_90295487	246.243	OTHQBVWHPONWLP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006696
CCCCC1=C(CC1)[P+](OCC)(OCC)[O-]	PC-id_102279547	246.283	WFAXDDKYMKNUMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006697
OC1(C(=C(C1=O)C#CCCC)OC)C#CCCC	PC-id_15129426	246.302	BIHQWNOMHQMCLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006698
CC1C=C(C1C)COCCOCCOCCF	PC-id_88033993	246.318	OVQNWRXDYNXOMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006699
S1(=O)(=O)CC(=C1C)NC(=O)NC(CC)(C)C	PC-id_57034629	246.327	XMVMMIAQNQEPTE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006700
O=CCCC1=C(C#CC(C)(C)C)C(C1(C)C)(C)C	PC-id_100990289	246.388	LIFVQHVGZHEJAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006701
C1(=C(C(C)(C)C)C(=C(C)C)C1=C(C)C)C(C)(C)C	PC-id_5256302	246.431	DJCPBXDHERBFJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006702
C[Si](O[Si]1(CC=C1)O[Si](C)(C)C)(C)C	PC-id_139845832	246.526	CFHHFPYDKXHTBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006703
ClC1=C(N(CCNC)C)C(F)(F)C1(F)F	PC-id_10354577	246.633	ZZBPMUJSUWKOOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006704
CCCNC1=C(CC1)P(=O)(OCC)OCC	PC-id_145997468	247.271	LMYWROHKXCOLPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006705
CCOP(=O)(C1=C(CC1)NC(C)C)OCC	PC-id_145997467	247.271	RGBUDTYZGIUYKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006706
CCNC(/C=C(/C#CC1=C(O)C(=O)C1=O)CC)C	SCHEMBL18677158	247.29	ZEKGXNOZODJSRI-CSKARUKUSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006707
CC(C)(C)C1CC(N(C(=O)C2=CCC2)C2CC2)C1	ZINC22_2325752374	247.376	UJDFZTZHKVOJNO-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006708
CCSC(=NC)SC1(CC=C1)SCC	PC-id_89217324	247.444	FTLDKUFPWTTXGJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006709
CCS/C(=N/C)/SC1(SCC)CC=C1	SCHEMBL13979688	247.444	FTLDKUFPWTTXGJ-LUAWRHEFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006710
IC1=C(F)C(=O)C1(F)F	PC-id_21731264	247.942	QWVHOVOYVHXQCS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006711
IC(=C)OC(=O)C1=CC=C1	PC-id_58916380,SCHEMBL14453115	248.018	OZORBHFTCQMOHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006712
[Bi]1=CC=C1	PC-id_85603468	248.036	YYSZKEJGERTAQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006713
CCOC1=CC(=O)C1(C(F)(F)F)C(F)(F)F	PC-id_101337502	248.122	SCMOWMWKLKCNQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006714
CCCC(P(=O)(O)O)NC1=C(N)C(=O)C1=O	PC-id_54284186,SCHEMBL9275759	248.173	RSXXNNXYRDKVHL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006715
NC1=C(NCCCCP(=O)(O)O)C(=O)C1=O	CHEMBL143531,SCHEMBL9205500,PC-id_10060551	248.173	SFVJAVHANWZFGI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006716
S(=O)(=O)(O)CCCNC1=C(NC)C(=O)C1=O	PC-id_20712514	248.256	KXURKFWBXROFSN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006717
S(=O)(=O)(O)CCNC1=C(N(C)C)C(=O)C1=O	PC-id_20712488	248.256	HJAXKQSKNCWJRW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006718
C=C=C1C(=C(C1=N)Cl)I	PC-id_155208381	250.9	FDVRZHGQVMEUOA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006768
S(=O)(=O)(O)CCNC1=C(NCC)C(=O)C1=O	PC-id_20712490	248.256	ZOESDXLGTGBVIK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006719
CCOC(=O)C1=CC(C1(N(C)C)N(C)C)(F)F	PC-id_100939122	248.27	KEWCFGBOWOZRCU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006720
O(C1(C(=C(OC)C1=O)OC)C#CCCCC#C)C	PC-id_15004565	248.274	KLJGFFOTCDLCAJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006721
N=CC1(CC=C1C(CCC(F)(F)F)C)C(N)C	SCHEMBL18266244	248.288	FZQNXHIDUKZXLV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006722
O(C1(C(=C(C1=O)/C=C(/CCCC)C(=C)C)C)C)C	PC-id_10634309	248.361	MDGKDOWRVXKJEQ-RAXLEYEMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006723
O(C1(C(=C(C1=O)/C=C(CCCC)/C(=C)C)C)C)C	PC-id_10776968	248.361	MDGKDOWRVXKJEQ-JLHYYAGUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006724
O(C1(C(=C(C1=O)C=C(CCCC)C(=C)C)C)C)C	PC-id_85213833	248.361	MDGKDOWRVXKJEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006725
O=C1/C(=C(C(C)(C)C)/C)/C(=O)/C/1=C(C(C)(C)C)/C	PC-id_71406624	248.361	AZRHQIBHKRTUJQ-DSOJMZEYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006726
[Si](C#CC1=C(C(O)(C1=O)C)CCC=C)(C)(C)C	PC-id_10753101	248.393	FPZMXLTUIDLSPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006727
CCCCC1=C(CC1)CCCCCCCCC=C	PC-id_91095060	248.447	LJCWZGDLXRHAHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006728
CC[C@@H](CC(CCCC(=C)C1=CC(C1)CC)C)C	PC-id_143682165	248.447	IYYPTVFKRMBPAV-UQPPLGOBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006729
ClC1=C(C(F)(F)C1(F)F)/C=C(F)/OCC	PC-id_23234751	248.578	NXNPCJPLBSLZRW-HWKANZROSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006730
ClC1=C(C(F)(F)C1(F)F)C=C(F)OCC	PC-id_74023562	248.578	NXNPCJPLBSLZRW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006731
ClC1=C(OC)C(O)(C(C)(C)C(=O)OC)C1=O	PC-id_10467218	248.66	KIXWKUQXUMBWKE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006732
CCOC1=C(C(=O)C1=O)NCCP(=O)(O)O	SCHEMBL9203470	249.158	XIVLBUFFTNVFGO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006733
ClC1(C(C)(C)C)C(=C(Cl)C1=O)C(C)(C)C	PC-id_85761430	249.177	FFYKTPSENXVFKT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006734
O=C1C(=C(C1(Cl)Cl)C(C)(C)C)C(C)(C)C	PC-id_121011295	249.177	ZQSKACGPOBBYDU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006735
OCCNC1=C(CC1)P(=O)(OCC)OCC	PC-id_145997469	249.244	KPWDUPLPBZAVOQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006736
CCCCC(CC)C1CC1CCC1=C(CC1N)C	PC-id_163723217	249.246	KTJDZAXTZSQLGV-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006737
C1(=C(C(C1)(C)C)C(=O)C(F)(F)F)SCC#N	MCULE-4458263187,PC-id_71670242	249.253	YXIKXXFJZRZAGB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006738
OC(=O)[C@H](CSSC1=C(O)C(=O)C1=O)N	PC-id_102420456	249.264	WWIUSRCVSWQTGT-REOHCLBHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006739
CC1CC(=N1)C(=CC(=C)C(C)(C)CO)C(C)(C)C	PC-id_90789881	249.392	IIEDTVOOHLUXSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006740
CCC(/C(=CC)/C1NC=C1)C(CCCC(C)C)C	SCHEMBL20922119,PC-id_138564551	249.435	QQACJSMFTIKPDG-FRKPEAEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006741
C/C=C(C1=CC[C@H]1Br)/Br	PC-id_146793421	249.899	RWGVXAAAUVXCEE-XBNAYDIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-006742
C(COP(=O)(O)O)NCC1=C(C(=O)C1=O)N	PC-id_154307394	250.035	YGDXNKMZUVFFJH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006743
C1CC=[Bi]1	PC-id_139844905	250.052	BKWOLVJPPIQYMT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006744
O=C(C(I)(C)C)C1=CCC1	SCHEMBL18431516	250.077	VKMWMZWFCSQBOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006745
C1CC(=C1)CCCCCI	PC-id_88442276,SCHEMBL9296122	250.12	RSURAYLVZMKZTE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006746
CCCCCC1=C(CC1)I	PC-id_88442277,SCHEMBL9296125	250.12	AMZMEUSUELCVLB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006747
CCCCC(C1=CCC1)I	SCHEMBL9296118,PC-id_88442273	250.12	RXCDGVBDYSJDLE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006748
CC(=C1C(=C(C1=C(C)C)C(=O)OC)C(=O)OC)C	PC-id_164887663	250.121	WOXGMTQTGUBVIX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006749
OC(=O)C1=C(S(=O)(=O)O)C(C1(F)F)(F)F	PC-id_54100579,SCHEMBL11519122	250.125	NAGASDLFFDEUDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006750
CCOC(=O)NN/C(=C/C1C=C(C1(F)F)F)/C	PC-id_117063752	250.218	ASYXRSNJGMZZDL-GQCTYLIASA-N	00001100000000000000000000000000000000000000000000000000	06-01-006751
C=CCOC1=C(OCC=C)C(=O)/C/1=CC(=O)OC	PC-id_102091985	250.247	LSQXRLXRQXZJBP-CMDGGOBGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006752
OC1(C(=C(OC)C1=O)OC)C#CCOCC#CC	PC-id_9992279	250.247	GPULQPYKCVYGIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006753
CC1=C(C(=C1C)C(=O)OCCOC(=O)C(=C)C)C	SCHEMBL14000065,PC-id_89222207	250.29	BDAWKDZCWVDXCX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006754
O=C(C1=C(CC1)C)OCCOC(=O)C1=C(CC1)C	SCHEMBL10876106,PC-id_20223907	250.29	YCGJHSYLUNBJAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006755
O(C(=O)C1=C(C(C1C(C)C)(C(=O)N)C#N)C)CC	PC-id_10514820	250.294	ZVOKWCWYJXCZSK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006756
COCO/C(=C/C1=C(CC1=O)CCC=C(C)C)/C	PC-id_101032673	250.333	IQXRDJVQLGZRRB-XYOKQWHBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006757
O(C1(C(=C(C1=O)C)OCC)C#CCCCC)CC	PC-id_10562640	250.333	DBLMLNRTVOLDTD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006758
O(C1=C(/C=C(CCCC)/CC)C(=O)C1=O)C(C)C	PC-id_11107767	250.333	UXPBBMOEFWZBTN-LUAWRHEFSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006759
O(C1=C(/C=C(/CCCC)CC)C(=O)C1=O)C(C)C	PC-id_14957318	250.333	UXPBBMOEFWZBTN-PKNBQFBNSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006760
O(C1=C(C=C(CCCC)CC)C(=O)C1=O)C(C)C	PC-id_72741814	250.333	UXPBBMOEFWZBTN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006761
[Si](OC1(C(=C(C1=O)C=C)C)CC(=C)C)(C)(C)C	PC-id_10753210	250.409	CXIRZRGQKUSXRJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006762
CCCCC1=C(C(C1=O)(CCC)CCC)C(C)C	PC-id_101791417	250.42	OHXZGNPJQGWQLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006763
CC(C)(C)CCCCCCCC(C)(C)C1=CCC1	PC-id_91124239	250.463	AQPPSWJCQRIQKS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006764
CCCC/C(=C/1C=C([Si]1(C)C)CCCC)/CC	PC-id_102086334	250.495	JROHJKOBLWUCKG-JQIJEIRASA-N	00001100000000000000000000000000000000000000000000000000	06-01-006765
[Si]1(C(=C/C/1=C(/CCCC)CC)CCCC)(C)C	PC-id_16127665	250.495	JROHJKOBLWUCKG-PEZBUJJGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006766
[Si]1(C(C(=C1C)C(=C(C)C)C)CC(C)(C)C)(C)C	PC-id_53793308	250.495	FDIXJKLZNXYLPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006767
CC(C)(C)CCCCCC1=C(C(=O)C1=O)N(C)C	PC-id_161794833	251.189	NMEMQEBZWLZHGU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006769
CCNC1=C(C(=O)C1=O)CCCCCC(C)(C)C	PC-id_161794834	251.189	BHVJHYZZKFIHTB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006770
FC(F)(F)C(=O)C1=C(NCC(=O)O)CC1(C)C	PC-id_71670963	251.202	RZLREUAJIYQAEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006771
CCNC1=C(C(=O)C1=C)NCNC(=O)CC(C)C	PC-id_122660060,SCHEMBL18194525	251.325	VWLTVGQLPSWEPG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006772
CCCCCCCCCCCC(=C1C=NC1=O)O	PC-id_136622387	251.364	FCWCRKOMQTUZSJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006773
CCCCCCCCCCCC(=O)C1=CNC1=O	PC-id_90983613	251.364	OVSMCAYNKIDUNU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006774
CCC([C@]1(C=CC1(C)OC1CC(C1)O)C)NC=C	PC-id_134581843	251.365	HTDOPIUFZRSUQZ-WRHSUISWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006775
CCC([C@@]1(C)C=CC1(C)O[C@@H]1C[C@@H](C1)O)NC=C	SCHEMBL20233735	251.365	HTDOPIUFZRSUQZ-VGVBULKLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006776
CCCCCCC1=C(C(=C)C1[2H])C(=O)OC(C)(C)C	PC-id_101131816	251.383	SVUVMOIQFXKJRF-WORMITQPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006777
CCC(C1=C(C(C1)C)CC)NC(=C)C(C(N)N)C	SCHEMBL21013694,PC-id_138645602	251.411	IFCHHEKOHZGUHR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006778
CCC(C(C1CC=C1C)N(CCC(C)C)CC)C	PC-id_137466964,SCHEMBL20707270	251.451	QDNHKDDFDLYLIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006779
IC1=CC(F)(F)C1(F)F	PC-id_21731911	251.949	YNNKXMSBHWGYNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006780
IC1(F)C(F)(F)C=C1F	PC-id_21731917	251.949	JTSGKCGPJJARAI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006781
[B][C@]1(C=C([C@@]1(C)C(C)(C=C)Br)CC)C	PC-id_163896429	252.068	GJIIRGOELPXQPB-ASKATJPDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006782
FC1(F)C(F)(F)C(=C1/C=C(F)/C(F)(F)F)C	PC-id_21731912	252.105	VIYMSFFZHBAYPF-DJWKRKHSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006783
FC1(F)C(F)(F)C(=C1C=C(F)C(F)(F)F)C	PC-id_73827228	252.105	VIYMSFFZHBAYPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006784
CCC1=C(C(=O)C1=O)N(C)CCCN(CC)CC	PC-id_153333461	252.184	GKNOSPVVYJMXGK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006785
CC(C)(C)C1=C(C(=O)C1=O)N(C)CCCCNC	PC-id_153438639	252.184	XMRNGTXPXQYGGD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006786
CC(C)(C)CCCN(C)C1=C(C(=O)C1=O)N(C)C	PC-id_153438715	252.184	SGMPLWJLAHVJJE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006787
CCCN(CCC)CCCCNC1=CC(=O)C1=O	PC-id_153333415	252.184	HSQNOFCRAVRJEB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006788
CCCN(CCC)CCCN(C)C1=CC(=O)C1=O	PC-id_153551249	252.184	DARCMIQRRKGYNW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006789
CCCN(CCC)CCN(C)C1=C(C(=O)C1=O)C	PC-id_155278356	252.184	IYQCEXQUTVPCQD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006790
CCNC1=C(C(=O)C1=O)NCCCCC(C)(C)C	PC-id_153333356	252.184	QRLBKYLUTAHJRP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006791
CCNC1=C(C(=O)C1=O)N(C)CCCC(C)(C)C	PC-id_153438691	252.184	WLOLCARUBFOFAF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006792
CCCCCCCCOC1=C(C(=O)C1CC)CC	PC-id_164047739	252.209	VVTYHJFYXQJKGS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006793
CCN(C)C1=C(CC1=O)N(C)CCCC(C)(C)C	PC-id_153551386	252.22	AVMOZPHLMRBVGD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006794
NCC1(C=N)CC(=C1CCC(C(F)F)(F)F)C	SCHEMBL18266523	252.252	IEIOUJFKANFUIS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006795
C1CC(=C1)OC(=O)CC=C(CCC1CO1)C(=O)O	PC-id_87773090,SCHEMBL5071314	252.263	PJBIOEUQWNNPKX-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006796
CC1=C(CC1)C(=O)OC=C(CCC1CO1)C(=O)O	SCHEMBL187519,PC-id_87076339	252.263	WVDOLDNIKALSHQ-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006797
CCC1=C(CC1)C(=O)OC=C(CC1CO1)C(=O)O	PC-id_87356810,SCHEMBL2230549	252.263	SUXRLYOEMWOASV-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-006798
CCC1=C(CC1)C(=O)OC=C(C(C)(C)C)C(=O)O	PC-id_88733310,SCHEMBL11152627	252.306	NMHUMDDOZLBPNT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006799
O=C1C(=C(CCCC(=O)OCC)C1=O)C(C)(C)C	PC-id_11128779	252.306	UHXYSIRBDKRDDF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006800
O(C1=C(OCC)C(=O)C1(O)C#CCCCC)CC	PC-id_10966984	252.306	GJSRWQNHJGBBDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006801
O=C1C(=C(C1=O)C(=O)N(CC)CC)N(CC)CC	PC-id_24978236	252.309	XAPBNSNIBSXKEW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006802
CCN(CC)C1=C(/C(=C(/C#N)C(=O)OC)/S1)C	PC-id_134973305	252.333	FVWJXEACLFQNMX-MDZDMXLPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006803
CCCCC1=C(C(C1=O)(OC)C(=C)C)OC(C)C	PC-id_101072506	252.349	KOLFVQYRKXXYSR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006804
CCCCCC1=C(C(C1=O)(C)C(=C)OCC)OC	PC-id_134877872	252.349	WDTLVBSIIYCILF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006805
CCCCCCC1=C(OC1=O)CC(CCC=C)O	SCHEMBL9825610,PC-id_67935871	252.349	GRZRBEPUFHQSMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006806
CCCCCCC1=C(OC1=O)C[C@H](CCC=C)O	PC-id_67935917,SCHEMBL9825787	252.349	GRZRBEPUFHQSMV-LBPRGKRZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006807
OC1=C(CCCCCCCCCCC)C(=O)C1=O	PC-id_11276808	252.349	IHMRKFUUVNNFBA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006808
OC1(C(O)C(=C1C=C(C)C)OC(C)C)CCC=C	PC-id_10777208	252.349	KPHJGGAGYHOUKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006809
CC(C)C1=C(C(=O)C1=O)N(C)CC(C(C)(C)C)N	PC-id_88935797	252.353	FEYXFLNDJFPZEC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006810
CCCCCCCNC1=C(C(=O)C1=O)NC(C)C	SCHEMBL16707344,PC-id_118067943	252.353	XDPCIRHAQHHXGV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006811
CCC(CNC1=C(C(=O)C1=O)NC(CC)(C)C)C	SCHEMBL19035621	252.353	RQCWDICRWJFBAS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006812
CCCN(CCC)CCCNC1=C(C)C(=O)C1=O	SCHEMBL21230874,PC-id_139376665	252.353	IFHRNVLUIPPZMF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006813
CCCN(CCCCNC1=C(C)C(=O)C1=O)CC	PC-id_139376663,SCHEMBL21230872	252.353	ZTCMYAVFKDAZPJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006814
CCCN(CCCN(C1=C(C)C(=O)C1=O)C)CC	SCHEMBL21230856,PC-id_139376647	252.353	HMDURLLXUUSRTB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006815
CN(C(C)(C)C)C1=C(C(=O)C1=O)N(C(C)(C)C)C	PC-id_118968885,SCHEMBL17618262	252.353	OIONLIWOGFUHCQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006816
CN(CCCN(C1=C(C(=O)C1=O)C(C)(C)C)C)C	SCHEMBL21230876,PC-id_139376667	252.353	GOHPENNOVXFGRM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006817
N[C@@H](C(C)(C)C)CN(C1=C(C(=O)C1=O)C(C)C)C	SCHEMBL12584829	252.353	FEYXFLNDJFPZEC-SECBINFHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006818
O=C1C(=C(NC[C@@H](N)C(C)(C)C)C1=O)C(C)(C)C	SCHEMBL8282737,PC-id_57981969	252.353	MKZZOPVBZHDOEM-MRVPVSSYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006819
O=C1C(=C(NCC(N)C(C)(C)C)C1=O)C(C)(C)C	PC-id_76695249	252.353	MKZZOPVBZHDOEM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006820
CCC(C1CC(=C1)C)CPCC/C=C(/CC)C	SCHEMBL19561902	252.375	IUOGWSTWOBQAFG-MDWZMJQESA-N	00001100000000000000000000000000000000000000000000000000	06-01-006821
CCN(C1=C(C(=S)C1=O)N(CCC(=C)C)C)C	SCHEMBL21231167,PC-id_139376925	252.376	CJJGWUXECKHFRD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006822
[Si](OC1(C(=C(C1=O)C=C)OC)CC=C)(C)(C)C	PC-id_10658491	252.382	LHXSNVMFNJANHL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006823
CCCCCCCCCCCC(=O)OC1=CCC1	SCHEMBL11685635	252.392	FTSBEIAQSGLVRY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006824
OC1C(=C(CCCCCC)C1=O)CCCCCC	PC-id_11402523	252.392	NKARZGQRVKDZSU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006825
CNC(C(C)(C)C)CN(C1=C(C(=O)C1)C(C)C)C	PC-id_143195917	252.396	LQINYDGGWPAPHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006826
COC1(C)C(=C(C1=NC(C)(C)C)NC(C)(C)C)C	PC-id_102381904	252.396	BAJZGEIIPZUINT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006827
CCCO[Si](C1=CCC1)(C1=CCC1)OCCC	PC-id_140148983	252.425	NEGOHJGEEBPOCD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006828
CC(O[Si](C1=CCC1)(C1=CCC1)OC(C)C)C	PC-id_140148968	252.425	ABNRLBQUCJEBCT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006829
[Si](C1=C([Si](C)(C)C)C(=C1C=O)C=O)(C)(C)C	PC-id_11068843	252.457	IFXMLJDFRATAJK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006830
SCCSC1=C(Cl)C(C1(F)F)(F)F	PC-id_101666856	252.681	RCXXYNJRTPZYGY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006831
COC1=C(C(=O)C1=O)NI	PC-id_88714126,SCHEMBL11046799	252.995	DGDHUNOVPKTWKJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006832
ClC1=C(Cl)C(=O)C1(O)C(C)(C)C(=O)OC	PC-id_10015117	253.079	ZFAWJMWKRBSODY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006833
ClC1=C(Cl)C(=O)C1(O)C(C)C(=O)OCC	PC-id_9992418	253.079	LRUOPMMFIVVCPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006834
CC(C)(C)CCCCCC1=C(C(=S)C1=O)NC	PC-id_161276605	253.15	XBXFPMSHKFLWPX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006835
ClC1(Cl)C(=C([Si](C)(C)C)C1=O)OCC	PC-id_15576011	253.198	AQBMHNWECNQULE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006836
CCN(C1=C(C(=O)C1=O)C(C(=O)OC)(C)C)CC	PC-id_101639158	253.294	FYBKSUBDFVYZFJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006837
CCO/C(=CC)/[C@H](NC1=C(C(=O)C1=O)OC)CC	PC-id_142180718	253.294	SWFTYFOXYNLGHE-WSQKDGNHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006838
CCOC(=O)C(C1=C(C(=O)C1=O)N(CC)CC)C	PC-id_101639157	253.294	AGYBZINBBLZREE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006839
CCCCCNC1C[N+](=C1OS(=O)(=O)O)O	PC-id_88664535,SCHEMBL10767798	253.296	IMIAMJKGHFZJIL-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-006840
CCNC1=C(C(=O)C1=O)NCNC(=O)CC(C)C	PC-id_118041272,SCHEMBL16674372	253.298	MHYUAEQJZQEPKJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006841
CN(C)C1=C(N(C)CCCN=C=S)C(=O)C1=O	CHEMBL4474353,PC-id_75202265	253.321	APOWODFEIYMQEK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006842
CCCCOC1=C(C(=O)C1=O)NC(C(C)(C)C)C	PC-id_54135011,SCHEMBL7597268	253.337	NXBLKEYDGQSRTF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006843
CC(C)(C)OC(=O)NC(C1CC=C1)C(CO)C=C	SCHEMBL20393682,PC-id_135235276	253.337	UAXDMSGRMFCARQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006844
CCOC1=C(C(=O)C1=O)NC(CC(C)(C)C)(C)C	PC-id_142173813	253.337	QDIMUPFOCHMNSM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006845
CCCCNC1=C(C(=O)C1=O)NCCCN(C)C	PC-id_101726537	253.341	OAEXLRYYJMTOIF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006846
CCCCNC1=C(C(=O)C1=O)N(C)CCN(C)C	PC-id_86293153	253.341	HFLMFAFCSCMZDK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006847
N[C@@H](C(C)(C)C)CN(C1=C(C(=O)C1=O)N(C)C)C	PC-id_57982024,SCHEMBL8283566	253.341	OEDFIWYADPULHY-MRVPVSSYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006848
O=C1C(=C(N(C)C)C1=O)N(CC(N)C(C)(C)C)C	PC-id_76695279	253.341	OEDFIWYADPULHY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006849
O=C([C@@H](NC(=O)[C@H](C(C)C)N)C)NC1CC=C1C	PC-id_138487066	253.341	KZEDELDFLHUBTF-JRUYECLLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006850
O=C([C@@H](NC(=O)[C@H](C(C)C)N)C)N[C@@H]1CC=C1C	SCHEMBL20834997	253.341	KZEDELDFLHUBTF-AXFHLTTASA-N	00001100000000000000000000000000000000000000000000000000	06-01-006851
C=C/C=C(/CC1C=CC1=C)C=C/N/C=CC=C/CC	PC-id_145163364	253.382	SKDHBPWDZXNEEA-KKMVJLMQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006852
C/C=CC(=C/C=C)N1CC=C1/C(=C/C=C(/C=C)C)/C	PC-id_145334464	253.382	FLFQIBIJEJKOJM-INTFWEEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006853
O(C1(NC(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)C	PC-id_85539588	253.423	AEOZLVZEQAEENT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006854
CCCC(=CC)C1=CCC1C(Cl)(Cl)Cl	PC-id_88270749	253.596	DPHINOXNUOJEIB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006855
CCC/C(=CC)/C1=CC[C@@H]1C(Cl)(Cl)Cl	SCHEMBL8255125	253.596	DPHINOXNUOJEIB-GOJXHPMJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006856
C1(=C(C(C1(F)Cl)(F)F)Br)Cl	PC-id_154230658	253.851	IABBVRHMXUVKPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006857
CCC1CC(=C1)C(Br)Br	PC-id_118562800,SCHEMBL17319462	253.962	XZCAGNAMJXTASM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006858
CC1(C(=C(C1(C)C(F)(F)F)F)F)C(F)(F)F	PC-id_163851319	254.034	AXNAQALHCCNFBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006859
CC1=C(C(C1(C(F)(F)F)F)(C)C(F)(F)F)F	PC-id_163851320	254.034	GLRKCQFMEAWENV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006860
CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C#C[C@H]2C=C)N	PC-id_146814071	254.073	SASSJPLOSXWUBF-LDYMZIIASA-N	00101100000000000000000000000000000000000000000000000000	06-01-006861
CCC1=C(C(=O)C1=S)NCCCCN(C)CC	PC-id_153551513	254.145	AQIWGUQCWHNUCW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006862
CCC1=C(C(=S)C1=O)N(C)CCCN(C)CC	PC-id_153551408	254.145	LZKXVESIPSLDOD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006863
CC(C)(C)C1=C(C(=O)C1=S)N(C)CCCNC	PC-id_153438620	254.145	JEVHQKNBKYIXKX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006864
CC(C)(C)C1=C(C(=O)C1=S)NCCCCNC	PC-id_153438689	254.145	DHUIDBIMTGLEAQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006865
CC(C)(C)C1=C(C(=S)C1=O)N(C)CCCCN	PC-id_153438695	254.145	MVPDNKPVZMUCRS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006866
CC(C)CCCCNC1=C(C(=S)C1=O)N(C)C	PC-id_153333261	254.145	GWVBJWWUKBTVAX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006867
CCCCCCNC1=C(C(=O)C1=S)N(C)CC	PC-id_153551244	254.145	FEPMIHMBYDYFHZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006868
CC(C)CCCN(C)C1=C(C(=O)C1=S)N(C)C	PC-id_155278376	254.145	LUHUHTPFBPABDR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006869
CCCCCN(C)C1=C(C(=O)C1=S)N(C)CC	PC-id_155281360	254.145	ZNNRIWSQSXXSCZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006870
CCCCCN(C)C1=C(C(=S)C1=O)N(C)CC	PC-id_153547880	254.145	SKCDZBSVIWIIKR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006871
CCCCN(C)C1=C(C(=S)C1=O)N(CC)CC	PC-id_155278330	254.145	XDWYCLZQTLOWBA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006872
CCCN(C)CCCCNC1=C(C(=S)C1=O)C	PC-id_155278523	254.145	PYPKKSXTYUFPKG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006873
CCCN(CC)CCCN(C)C1=CC(=O)C1=S	PC-id_153547814	254.145	BZQQAPYUUDVBDK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006874
CCCN(CCC)CCN(C)C1=CC(=O)C1=S	PC-id_153547892	254.145	SVNRMMDDFTWZNV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006875
CCNC1=C(C(=O)C1=S)NCCCC(C)(C)C	PC-id_153438632	254.145	RSMCHJLDHCSQKV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006876
CCNC1=C(C(=S)C1=O)NCCCC(C)(C)C	PC-id_153438667	254.145	BQQGKARQCWFOID-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006877
CCN(C)C1=C(C(=O)C1=S)N(C)CCC(C)C	PC-id_153333382	254.145	KRTVQACWLRKERY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006878
CCN(CC)C1=C(C(=O)C1=S)NCCC(C)C	PC-id_153333290	254.145	FUTBPXPZYGZAFP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006879
CCN(CC)CCCCNC1=C(C(=O)C1=S)C	PC-id_155281018	254.145	TYKRIWINXNGDSZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006880
CCN(CC)CCCCNC1=C(C(=S)C1=O)C	PC-id_155278366	254.145	SPGWWBOSZXLDPO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006881
CCN(C)CCCCN(C)C1=C(C(=O)C1=S)C	PC-id_155281020	254.145	UXDZMVFCKJBGDX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006882
CCN(C)CCNC1=C(C(=S)C1=O)C(C)(C)C	PC-id_153438600	254.145	GXOAWLATZYQNRI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006883
CC(C)(C)C1=C(C(=O)C1=O)NCCOCCNC	PC-id_153438606	254.163	JVSKYOGVSXDYHZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006884
CCC(=COC(=O)C1=C(C(C1)C)C(=O)O)C(=O)O	SCHEMBL9096504,PC-id_88413480	254.236	KDBIXLQIJZCUOB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006885
CCOCC(=O)C1=C(C(=O)C1=O)C(=O)COCC	PC-id_141103432	254.236	XTINNPPZROXYIH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006886
O(C1=C(OC(=O)CCC)C(=O)C1=O)C(=O)CCC	PC-id_9859842	254.236	ROISGJATBNWRPB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006887
O(CCCOC(=O)C1=CC=C1)C(=O)CCC(=O)O	PC-id_59613212	254.236	NMODKBCVDWZENK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006888
O(C1=C(C(=O)C1(O)/C(=C(OCC)/[O-])/[N+]#N)C)CC	PC-id_10848522	254.239	VOJFRAGDXBVRAL-JXMROGBWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006889
O(C1=C(C(=O)C1(O)C(=C(OCC)[O-])[N+]#N)C)CC	PC-id_85288530	254.239	VOJFRAGDXBVRAL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006890
CCOC1=C(C(=O)C1=O)NCCOCCN=[N+]=[N-]	MCULE-3070963866,EMOLS-id_192732419	254.243	YGDVGBNIARXWFU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006891
COC1=C(C(=O)C1=O)CCCCCCOC(=O)C	PC-id_101036812	254.279	KFOQFFBTMLCLPK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006892
COC(=O)/C=C/1C(=O)C(=C1OC(C)C)OC(C)C	PC-id_102091989	254.279	IDSLHNBWRVGARV-RMKNXTFCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006893
O(C1=C(OC(C)C)C(=O)/C/1=C/C(=O)OC)C(C)C	PC-id_11021430	254.279	IDSLHNBWRVGARV-TWGQIWQCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006894
O(C1=C(OC(C)C)C(=O)C1=CC(=O)OC)C(C)C	PC-id_85369767	254.279	IDSLHNBWRVGARV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006895
O(C(C)(C)C)C(=O)CC1=C(OC(C)C)C(=O)C1=O	PC-id_11780052	254.279	ZIELQQDUJADHSV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006896
CCCCNC1=C(C(=O)C1=O)NCCCC(=O)O	SCHEMBL16255533,PC-id_56970826	254.282	FXBJLCVIXJBMBD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006897
CCCCNC(=O)NC1=C(C(=O)C1=O)OC(C)C	PC-id_101012187	254.282	CVHMBMXTJSGZQN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006898
CCOC1=C(C(=O)C1=O)NCCCC(C=O)NC	SCHEMBL14546657,PC-id_89366163	254.282	VKVVOMXMZRVBRU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006899
CCCC1=C(C(C1C(=O)OC)C(=O)OC)CCC	PC-id_91731871	254.322	APDZYDPEERNOJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006900
CCCC1=C(CCC)[C@@H]([C@H]1C(=O)OC)C(=O)OC	PC-id_101606553	254.322	APDZYDPEERNOJW-RYUDHWBXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006901
CCCCCCCCCCOC1=C(C(=O)C1=O)O	PC-id_88023116,SCHEMBL6658353	254.322	KEIPOBFMJVMSER-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006902
CCCCCOC1=C(C(=O)C1=O)OCCCCC	PC-id_20138703,SCHEMBL9809602	254.322	OGTXFFXCGRIEOV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006903
CCCCOC1=C(C(C1=O)(O)C=C)OCCCC	PC-id_102479484	254.322	ISOHDQLTEFYCFD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006904
CCCCOC(=O)C1=C(CC1)C(=O)OCCCC	SCHEMBL11564363	254.322	NKWIOVVIHLKNDX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006905
CCCCOC(=O)C1=CCC1C(=O)OCCCC	SCHEMBL2344344	254.322	VVPXARNQQJBHDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006906
CCC(OC1=C(C(=O)C1=O)OC(CC)CC)CC	SCHEMBL7366883,PC-id_11334281	254.322	WQPAVUSZWLOLMQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006907
O(C1=C(OC(C)C)C(=O)C1(O)C=C(C)C)C(C)C	PC-id_10682370	254.322	LTXMWSMZOHIBNU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006908
O(CCC(C)C)C1=C(OCCC(C)C)C(=O)C1=O	PC-id_71393232	254.322	QIBMXCGNHXRSFJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006909
O(CC(CC)C)C1=C(OCC(CC)C)C(=O)C1=O	PC-id_71393233	254.322	QZCAPMCXVBGBKM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006910
O(C(CCC)C)C1=C(OC(CCC)C)C(=O)C1=O	PC-id_71393234	254.322	BBNFVLOCTCPOIQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006911
O(C(=O)C1=C(CC1CCCCCC)C(=O)OC)C	PC-id_11075996	254.322	OFSBHFGUCFBEMY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006912
CCN(CCOCCN(C1=C(C)C(=O)C1=O)C)C	PC-id_139376945,SCHEMBL21231189	254.325	LSSQZLAAFAJPDY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006913
C1(=O)C(=C(C1=O)NCCN(C)C)NCCN(C)C	CT-id_7229638,CT-id_7229637,CT-id_7229636,PC-id_90665612	254.329	IOTHGWFPPXDJTR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006914
C(CCNC1=C(C(=O)C1=O)NCCCCN)CN	PC-id_89768839,SCHEMBL15212634	254.329	VYJZDFACEMFELR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006915
CCCCNC1=C(C(=O)C1=O)NCC[N+](C)(C)C	PC-id_76311116,SCHEMBL16255534	254.349	VDXZZZFKWAZSOM-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-006916
[Si](CC#CC1(O)C(=C(OC)C1=O)OC)(C)(C)C	PC-id_14689912	254.354	PHWHZYURBSFKOE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006917
CCCCCCCCCCCC1=C(CO1)C(=O)O	PC-id_69794546,SCHEMBL6478501	254.365	VQYMAUNKADTZQN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006918
CCCCCCCCCCCC1OC=C1C(=O)O	PC-id_23064665,SCHEMBL544653	254.365	BOQGUNITAWVACD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006919
OC1(C(=C(C1=O)CCCC)OCCC)CCCC	PC-id_85678741	254.365	BKHPBUHHVWFSKX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006920
CC(C)(C)C1=C(C(C1=O)O)NCC(C(C)(C)C)N	PC-id_88274100,SCHEMBL8281712	254.368	DRSPPXCNHCDQDJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006921
CCCCC(CC(NC1=CC(=O)C1OC)CN)C	PC-id_143215172	254.368	WEQLSRLKACEZDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006922
CCCC1=CC(C1)S(=O)(=O)C1CC(=C1)CCC	PC-id_141264204	254.388	PIVOCRSGSVCONW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006923
CCC1=C(C(=O)C1=S)N(CCCCN(C)C)C	PC-id_139376805,SCHEMBL21231027	254.392	FPKJFYRSNHGBOY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006924
CCCCCNC1=C(C(=S)C1=O)N(CC)CC	PC-id_139376673,SCHEMBL21230882	254.392	MPPCXQWOHIITIV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006925
CCCN(CCCN(C1=C(C)C(=O)C1=S)C)C	SCHEMBL21231002,PC-id_139376780	254.392	NNLYTJLRWQRXMA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006926
CCCN(CCCNC1=C(C)C(=O)C1=S)CC	SCHEMBL21231013,PC-id_139376791	254.392	BLGYZGXUCVIWPA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006927
CCCN(CCCNC1=C(C)C(=S)C1=O)CC	PC-id_139376779,SCHEMBL21231001	254.392	MNJNUMQFWNJQEW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006928
CCCN(CCNC1=C(C)C(=O)C1=S)CCC	PC-id_139376935,SCHEMBL21231177	254.392	SNTVPDDABSZPQH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006929
CCCN(CCN(C1=C(C)C(=O)C1=S)C)CC	PC-id_139376937,SCHEMBL21231179	254.392	FFSBDCKUZMDGGY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006930
CCCN(CCNC1=C(C)C(=S)C1=O)CCC	SCHEMBL21231255,PC-id_139377001	254.392	NUOBFEVCZSLJDS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006931
CCN(CCCN(C1=C(C)C(=O)C1=S)C)CC	PC-id_139376754,SCHEMBL21230976	254.392	LTKKXLUJBTUIAN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006932
CCN(CCCN(C1=C(C)C(=S)C1=O)C)CC	SCHEMBL21230997,PC-id_139376775	254.392	HEPJYNFKJDTZQJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006933
CCN(CCN(C1=C(C(=S)C1=O)CC)C)CC	SCHEMBL21231271,PC-id_139377017	254.392	PMFCKFHOTBSWKE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006934
CNC1=C(C(=O)C1=S)NCCCCC(C)(C)C	PC-id_139376671,SCHEMBL21230880	254.392	MRPNOPHMLKRBLB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006935
NCCCCN(C1=C(C(=S)C1=O)C(C)(C)C)C	PC-id_139376797,SCHEMBL21231019	254.392	HJQRHPDWCWEGQY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006936
CC(C1=C(P=C1[Si](C)(C)C)C(C)(C)C)(C)C	PC-id_101719678	254.423	HLJAUAJXLROMTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006937
CC[C@H]([C@H]1C=C[C@H]1C=O)O[Si](C)(C)C(C)(C)C	PC-id_134964705	254.441	VICPLOBZNRKQPV-RWMBFGLXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006938
[Si](C1=C([Si](C)(C)C)C(=C1CO)C=O)(C)(C)C	PC-id_11068886	254.473	AUQORZKZIDEVNZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006939
FC1(F)C(=[O+]C)C(=C1F)C(F)(F)C(F)(F)F	PC-id_85524150	255.085	JJQWXYAMYZIDQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006940
CCN(CC)CCN(C)C1=C(C(=O)C1=S)CN	PC-id_153547918	255.141	QBDTWXZFNQCSTK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006941
O(C1=C(C(=O)C1(O)/C(=C(OCC)/O)/[N+]#N)C)CC	PC-id_10848523	255.247	VOJFRAGDXBVRAL-JXMROGBWSA-O	00001100000000000000000000000000000000000000000000000000	06-01-006942
O(C1=C(C(=O)C1(O)C(=C(OCC)O)[N+]#N)C)CC	PC-id_85288531	255.247	VOJFRAGDXBVRAL-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-006943
COC(=O)[C@@H](NC(=O)C1=CCC1)CCC(=O)OC	SCHEMBL11910922,PC-id_24803043	255.267	NWZPBSBVJGTBDF-VIFPVBQESA-N	00001100000000000000000000000000000000000000000000000000	06-01-006944
O(C1=C(NC(CC(C)C)C(=O)O)C(=O)C1=O)CC	PC-id_86000921	255.267	BXDNDMGKLZSYFW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006945
O(C(=O)C(NC(=O)C1=CCC1)CCC(=O)OC)C	PC-id_74319597	255.267	NWZPBSBVJGTBDF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006946
CCS(=[P+]1C#C[C-]1NC(=O)OCC#C)CC	PC-id_145799708	255.273	FTGOXDKGKSCAMT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006947
CN(C)C1=C(C(=[N+](C)C)C1C(=O)OC)C(=O)OC	PC-id_134897935	255.29	ILZFIQKSDPUBJM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006948
C1(=C(C(=O)C1=O)NCCCN(C)C)NCCCO	EMOLS-id_31665414,STOCK7S-06742,ZINC22_101680182,MCULE-6891508774,PC-id_51053401	255.313	GJFJRTNKPWTXNE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006949
C1(=C(C(=O)C1=O)NCCCN(C)C)NCCOC	EMOLS-id_31666836,PC-id_51053842,STOCK7S-08184,MCULE-8596680050,ZINC22_101683140	255.313	GUWNBEONSCPOON-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006950
C1(=C(C(=O)C1=O)NCCCOC)NCCN(C)C	STOCK7S-02738,MCULE-8743191591,PC-id_49657780,ZINC22_101669515,EMOLS-id_30511893	255.313	VUZDFQHXWHWDTC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006951
C1(=C(C(=O)C1=O)NCCN(C)C)NC(C)(C)CO	EMOLS-id_35784308,ZINC22_101693009,PC-id_53368542,MCULE-2080712553,STOCK7S-12589	255.313	QRWNYSIGSJZQOA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006952
S(=C)(C(C)(C)C)C1=C(N(C(C)C)C)C(=O)C1=O	PC-id_57981979	255.376	PYJIVEGGWKNFOP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006953
CC1C=C(C1[P+](C)(C)C)CC(C(C)(C)C)(C)C	PC-id_138648928	255.399	KFXBEIZHLUVBTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006954
CCN(CC)C1=C(C(=C1C)SC)[Si](C)(C)C	PC-id_134897911	255.495	LTGUPXJMYRFJEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006955
CNC(=O)O[I-]1(CC=C1)C	PC-id_163972572	255.984	DNXWELBUFYFLPJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006956
CC(C)CCCNC1=C(C(=S)C1=S)N(C)C	PC-id_155278395	256.107	OZJIZJVVOVPMBE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006957
CC(C)CCCN(C)C1=C(C(=S)C1=S)NC	PC-id_155278399	256.107	SSPIPKIXSFMZMT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006958
CC(C)CCN(C)C1=C(C(=S)C1=S)N(C)C	PC-id_148889510	256.107	PEQAQBRGZGVWPG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006959
CCCCCN(C)C1=C(C(=S)C1=S)NCC	PC-id_155281071	256.107	YFBHXECMAPOSQA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006960
CCCN(C)C1=C(C(=S)C1=S)N(CC)CC	PC-id_148332901	256.107	LFDMTTLSUTZXQF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006961
CCCN(CCC)CCNC1=CC(=S)C1=S	PC-id_153333312	256.107	IVVWNCUNEBIWQC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006962
CCCN(CC)CCNC1=C(C(=S)C1=S)C	PC-id_155278533	256.107	FFEKTBZTHAZXBT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006963
CCCN(CC)CCN(C)C1=CC(=S)C1=S	PC-id_153547730	256.107	ALADVLXBIMCRNR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006964
CCN(C)C1=C(C(=S)C1=S)NCCC(C)C	PC-id_155281070	256.107	XICFHKWISSNUOC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006965
CCN(CC)CCCN(C)C1=CC(=S)C1=S	PC-id_153547774	256.107	UUFFBDMKUXZLDJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006966
CCN(CC)CCN(C)C1=C(C(=S)C1=S)C	PC-id_155278540	256.107	DHJDFCNFZJHPRB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006967
CCN(C)CCOCCNC1=C(C(=O)C1=S)C	PC-id_155281321	256.125	RSFNULNUKHPOCU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006968
CO[C@@H]1CC=C1C[C@H](C(=O)NCCC(=O)OC)N	PC-id_163955975	256.142	SDJYGKGQZYHIKU-NXEZZACHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006969
[N-]=C=C(C1=C(C(=C=[N-])C#N)C(=O)C1=C(C#N)C#N)C#N	PC-id_102384506	256.179	DJTHDUWUMHEIAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006970
NC(=O)C1=C(OC1=O)SC1=C(C(=O)O1)C(=O)N	SCHEMBL10587868,PC-id_70397797	256.192	YGBCGUIZUYEUKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006971
CCOC(=O)C1=C(C(C1(F)F)(F)F)CCOC	SCHEMBL2396306,PC-id_87382689	256.194	WGOJARIXFICXFU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006972
COC(=O)CC(C1=CCP1)C(=O)N=CN(C)C	PC-id_143338458	256.238	MGQUPXRQGLHVCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006973
CCCCCC1(O)OC=C1C(=O)OOC(=O)C=C	PC-id_140373460	256.252	RUHHCKHUTOLCBC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006974
COC(=O)C1=C(CC1CCOC(=O)C)C(=O)OC	PC-id_100947330	256.252	FXNRRNRDWGKRCE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006975
C=CCNC1=C(C(=O)C1=O)N[C@H](C(=O)O)CS	PC-id_101444333	256.278	WRMBXLYODYYONZ-YFKPBYRVSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006976
CCOC1=C(C(C1=O)(OCC)CC(=O)C)OCC	PC-id_101923266	256.295	UBCMRTXFOSQTPE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006977
O(CCNC1=C(C(=O)C1=O)C)CCOCCNC	PC-id_58731581	256.298	FBUZDEUTWNEMKC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006978
[Ge](C1=C(OCC)C(Cl)C1=O)(C)(C)C	PC-id_12539428	263.307	KFBMCPKOEREQJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007120
C=C[C@@H]1C=C[C@]1(N)C(=O)NS(=O)(=O)C1(C)CC1	PC-id_144352013	256.321	VTQUQUTXFNFVSD-LDYMZIIASA-N	00101100000000000000000000000000000000000000000000000000	06-01-006979
CCCCOC1=C(C(C1=O)(O)CC)OCCCC	PC-id_19751793,SCHEMBL9555316	256.338	IPGBJFPDGWYKPU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006980
O1C(C(=C1O)CC(C)C(=O)OC(C)(C)C)C(C)C	PC-id_85113324	256.338	WICVWOYUBMLTPF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006981
O1[C@H](C(=C1O)C[C@H](C)C(=O)OC(C)(C)C)C(C)C	PC-id_10332645	256.338	WICVWOYUBMLTPF-ONGXEEELSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006982
OC1(CC(C)C)C(=C(OC(C)C)C1=O)OC(C)C	PC-id_10355059	256.338	TVQYJERKXTUZEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006983
O(C1=C(OC(C)C)C(=O)C1(O)CCCC)C(C)C	PC-id_14140278	256.338	BRVPJDSMLAPXHZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006984
CN(CC[NH2+]C1=C(C(=O)C1=O)[NH2+]CCN(C)C)C	PC-id_102130939	256.345	IOTHGWFPPXDJTR-UHFFFAOYSA-P	00000100000000000000000000000000000000000000000000000000	06-01-006985
CN(CCOCCN(C1=C(C)C(=S)C1=O)C)C	PC-id_139376806,SCHEMBL21231028	256.364	IWPMOQHUMOPREJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006986
COC(=O)C1=C(CC1C[Si](C)(C)C)C(=O)OC	PC-id_100947332	256.37	BVYYJIGVHMDISM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006987
COC(=O)[C@@H]1[C@H](C(=O)OC)C(=C1C)[Si](C)(C)C	EMOLS-id_337903129	256.37	GSPCDOXRJYINKQ-IUCAKERBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006988
CNC/C(=C/C(=CC)/CNC1=C(C)C(=C)C1=C)/C=C	PC-id_143342812	256.386	ZUTSKZKFJGLORK-CBMFITSNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006989
CC1C=C(C1P(C)(C)C)CC(C(C)(C)C)(C)C	SCHEMBL21017227	256.407	LNLRXTIVPUEGSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006990
CCCCCCNC1=C(C(=S)C1=S)N(C)C	SCHEMBL21231253,PC-id_139376999	256.431	RTNUICBQKCJQEZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006991
CCCCCN(C1=C(C(=S)C1=S)N(C)C)C	SCHEMBL21231195,PC-id_139376951	256.431	AJYAZISDEIDHFZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006992
CCCCCNC1=C(C(=S)C1=S)N(CC)C	SCHEMBL21231196,PC-id_139376952	256.431	CYKOQZZKPSIZPD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006993
CCCN(CCCNC1=C(C)C(=S)C1=S)C	SCHEMBL21230920,PC-id_139376710	256.431	WOUKXHBIJVXLMJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006994
CCN(CCCN(C1=C(C)C(=S)C1=S)C)C	PC-id_139376697,SCHEMBL21230907	256.431	KFIPHHOJJJCYHI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006995
S=C1C(=C(NCCCC)C1=S)NCCCC	PC-id_12226878	256.431	YKCLEFTWCKVUPN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-006996
CC=C(CC1=C(C(C1S)S)S)C=CC=C	PC-id_89327977	256.45	YNULYAHCEBUBJI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006997
C=C/C=CC(=C/C)CC1=C([C@H]([C@H]1S)S)S	SCHEMBL14401542	256.45	YNULYAHCEBUBJI-ZMYJDEKJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006998
COCC1=C(C)CC1(C)O[Si](C(C)(C)C)(C)C	PC-id_100957879	256.456	DALPMGODKWZGBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-006999
CCCC1=C(C(=P1)[Si](C)(C)C)[Si](C)(C)C	PC-id_91622401	256.472	FRHZQFFCQWZMOJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007000
OCC1=C(CO)C(=C1[Si](C)(C)C)[Si](C)(C)C	PC-id_100935455	256.489	CXPAMQYRTFCHFN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007001
CCOC1=C(Cl)C(C1(F)F)(OCC)OCC	SCHEMBL4620765,PC-id_24972665	256.674	DXRQIADGVCSQLL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007002
BrC1=C(C(C1C)C)C(=O)C(F)(F)F	PC-id_78146100	257.048	WJFDQEIMXPIVTM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007003
BrC1=C([C@@H]([C@@H]1C)C)C(=O)C(F)(F)F	PC-id_71670577	257.048	WJFDQEIMXPIVTM-DMTCNVIQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007004
C1(C)(C)CC(=C1C(=O)C(F)(F)F)Br	PC-id_46844921,MCULE-3741694363	257.048	CVQHCLUPFINHMJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007005
FC(C1=C(F)N=C1F)(C(F)(F)F)C(F)(F)F	PC-id_71381967	257.057	QYMMVRURTDRYLL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007006
CC(C)(C)OC(=O)N[C@@]1(CC(=C1)CO)C(=O)OC	PC-id_164147681	257.126	ZBVXUZPLXJEHFU-LBPRGKRZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007007
C(CCC(=O)NNC1=C(C(=O)C1=O)F)CC(=O)N	PC-id_89743221,SCHEMBL15178471	257.218	WVUSKONWQORVJX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007008
CNCC(=O)NCC(=O)NCN(N1C=CC1=O)O	PC-id_144693549	257.247	TWJUYKFDZRFAME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007009
CC(N(C1=C(C(=O)C1=O)S(=O)C(C)(C)C)C)C	SCHEMBL13605186,PC-id_57981964	257.349	FSEYLJSDBBDATL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007010
CNC/C(=C/C(=CC)/CNC1=C(N)C(=C)C1=C)/C=C	PC-id_143345944	257.374	UMHCUDUNSBKULI-CCLLZULESA-N	00001100000000000000000000000000000000000000000000000000	06-01-007011
CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@@H]1NC(=O)OC	PC-id_134887216	257.401	LBODERVUSFNXTO-VHSXEESVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007012
CCN(C1=C(Cl)C(=O)C1(O)C(C=C)(C)C)CC	PC-id_101639139	257.756	UNOZTGJGUZOAED-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007013
CC1(C(=C(C1(C(F)(F)F)F)F)F)C(F)(F)F	PC-id_163851317	258.009	FSEHXOQIEOVHAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007014
CC1(C(=C(C1(F)F)F)C(F)(F)F)C(F)(F)F	PC-id_163851318	258.009	CSZSTCFVBGWPJL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007015
CCOC1=C(C(=O)C1=O)NC/C=C/C[P+](=O)O	PC-id_153877925	258.053	LOZLRBGHNHPMKL-ONEGZZNKSA-O	00000100000000000000000000000000000000000000000000000000	06-01-007016
FC(C1CC(=C1C(F)(F)F)C(F)(F)F)(F)F	SCHEMBL7637848	258.084	KSNSQSSBUJQKTH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007017
CC1=C(C(=S)C1=S)NCCOCCN(C)C	PC-id_155278402	258.086	MNHNKDSTOBGUOV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007018
CCNC1=C(C(=S)C1=O)NCCCCSC	PC-id_155281361	258.086	YRKZURIGJHHXJS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007019
CCCN(C)CCCNC1=C(C(C1=S)S)C	PC-id_155278542	258.122	JWROGLHBXKNNMM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007020
OC(=O)C1=C(OC1=O)SC1=C(C(=O)O1)C(=O)O	SCHEMBL9724384,PC-id_67914995	258.162	YHDCCSSROGPBNO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007021
COCCCCCCNC1=C(CC1)NOCOC	PC-id_163958856	258.194	SFSNDCRSNLWKJN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007022
C(=C(C#N)C1=C(C(=O)C1=C(C#N)C#N)C(=C=N)C#N)=N	PC-id_136671618	258.195	LXKKXJLBOGSECT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007023
C1(=C(C(=O)C1=O)SSC1=C(C(=O)C1=O)O)O	PC-id_134976355	258.228	SVWHLHBDBSFZGS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007024
OC1(C(C)(C)C(=O)O)C(=C(OCC)C1=O)OCC	PC-id_10890568	258.268	ILRAZJXUAXPHFD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007025
CCN(CC1(CC1)C)C(=C)C1=CN=C1C(F)(F)F	SCHEMBL20104350,PC-id_134466730	258.283	JNMIBALYRKTPMS-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007026
OC(=O)CSC(C(C)C)NC1=C(N)C(=O)C1=O	PC-id_141332499	258.294	LRBBYDAYNWCGGB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007027
S(C1=C(S)C(=O)C1=O)C1=C(S)C(=O)C1=O	PC-id_57039999	258.294	FEPKLZMDBXNPQY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007028
CC(=O)O[Si](C1=CCC1)(OC(=O)C)OC(=O)C	PC-id_141481552	258.3	SSNZFSAAANIPBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007029
CCCCC1=C(C(=O)C1=C(C#N)C#N)OCCCC	PC-id_89325563,SCHEMBL14396504	258.316	SEVKYQLMCJVFRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007030
C/C=C(/NC1=C(CC1=O)NC1CC1)C=C(/C(=C)C)C	PC-id_143280156	258.359	APRFHKCROUGBNP-GPQSSBJBSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007031
CC1=C(C(S1(=O)=O)(C=O)C(C)(C)C)C(C)(C)C	PC-id_134996174	258.377	NOXVLCZKSMDDNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007032
S1(=O)(=O)C(C(C)(C)C)(C(=C1)C(C)(C)C)C(=O)C	PC-id_85674436	258.377	CKQHTRKNNUBHDU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007033
S1(=O)(=O)C(C(C)(C)C)(C=C1C(C)(C)C)C(=O)C	PC-id_85674437	258.377	QTXYQJGDTWEGKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007034
CCC(C)(CC)SC1=C(C(=N)N1)CC(CO)O	PC-id_137196692,SCHEMBL18950043	258.38	GQMVVCHQVOZGRB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007035
S=C1C(=C(OCCCC)C1=S)OCCCC	PC-id_12936492	258.4	MPDLLVZJQQPNCR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007036
S(C(C)(C)C)C1=C(SC(C)(C)C)C(=O)C1=O	PC-id_13764827	258.4	BRNIZUWDHBXZHK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007037
S(CCCC)C1=C(SCCCC)C(=O)C1=O	PC-id_23657479	258.4	UPSCPQBPCJQALA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007038
C/C(=C/C1C=CC1NNC(=C)C=C)/C(=C)C(CC)C	SCHEMBL21251441,PC-id_139395186	258.402	WYRPDEIOBPQEGO-QBFSEMIESA-N	00001100000000000000000000000000000000000000000000000000	06-01-007039
CNCCOCCN(C1=C(C)C(=S)C1=S)C	PC-id_139376810,SCHEMBL21231032	258.403	USNRFKZHAKRHBZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007040
O=C1C(=O)C(=C1O[Si](C)(C)C)O[Si](C)(C)C	PC-id_553390,SCHEMBL14071575	258.419	GONWSVYCROWEPN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007041
CCCO[Si](C1=CCC1)(OCCC)OCCC	PC-id_145052034	258.429	UYKZNSFRQAYHTP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007042
CC(O[Si](C1=CCC1)(OC(C)C)OC(C)C)C	PC-id_141481559	258.429	XHAYQHMWBTYDDK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007043
CCN(CCCNC1=C(C)C(C1=S)S)CC	PC-id_139376705,SCHEMBL21230915	258.446	OJZHHGXAKJXVEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007044
CCCCCCCCC1=C(S)C(=S)C1=S	PC-id_59755463,SCHEMBL12432487	258.466	WSLWIZHNZUUPIL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007045
CC1=C(C(P1C)([Si](C)(C)C)[Si](C)(C)C)C	PC-id_140456922	258.488	VWTNUVHEKLJVIA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007046
CCC1CC(=C1O[Si](C)(C)C)O[Si](C)(C)C	SCHEMBL11225166,PC-id_20515750	258.505	CBSMCRFOBBYBCX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007047
[Si](OC1=C(O[Si](C)(C)C)CC1(C)C)(C)(C)C	PC-id_10634980	258.505	HUJVGEPXLBTWTL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007048
ClC1=C(N(C(C)C)C(=O)NC(C)C)C(=O)C1=O	PC-id_15570470	258.701	NTEQDMZOZUVSKW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007049
CCC1=C(C(=O)C1=O)NCC(C(C)(C)C)NCl	PC-id_89128843,SCHEMBL13612567	258.744	ORKCAFVHUYGAQE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007050
ClN[C@@H](C(C)(C)C)CNC1=C(C(=O)C1=O)CC	PC-id_117783101,SCHEMBL16350420	258.744	ORKCAFVHUYGAQE-MRVPVSSYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007051
CCCC[SnH2]C1=CC(=O)C1=O	SCHEMBL9497194,PC-id_88471600	258.881	IBXWQUHUIXWSAU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007052
C1CC(=C1Br)I	PC-id_90998514	258.883	NJNHWJRXNNJDEW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007053
CCN1C(F)C(=C1Br)Br	PC-id_142784248	258.914	IBWOZBYVRAWPPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007054
ClC1=C(Cl)C(C1C(F)(F)F)C(F)(F)F	PC-id_22168482,SCHEMBL9860136	258.976	FSCAACFNQWCBAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007055
C1(C)(C)CC(=C1C(O)C(F)(F)F)Br	PC-id_46844922,MCULE-7856174053	259.064	MPFHZKHESAAVAH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007056
CC1(CC=N1)[C@](C)(C(=C)C(F)(F)F)C(F)(F)F	PC-id_163881555	259.08	PTQNJRGRBAIGIW-MQWKRIRWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007057
PN(C(C(C)(C)C)(C)C)C1=C(P)C(=O)C1=O	PC-id_143353216	259.222	CQGXMEAIQSOHHR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007058
O=C(O)C(N=C(O)C(N)CCC1(O)C(=NC1)O)C	CNP0377799	259.259	QELUMPYXLLFVAX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007059
CCCOP(=O)(C1=NC(=C1CCC)CCC)O	PC-id_142778049	259.282	ZMLLZNIDKYEFGP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007060
CCOC(=O)[C@H](C1=CCC1)NS(=O)C(C)(C)C	PC-id_101355842	259.365	RSTIGNPZVUNKQU-YOZOHBORSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007061
CCC1=CC(N1)C(C1CC(=N1)CC)C1CC(=N1)CC	PC-id_59593610,SCHEMBL12999352	259.39	YPOVSOIPFGITJD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007062
CCC1=NC(C1)C(C1CC(=N1)CC)C1CC(=N1)CC	SCHEMBL34715,PC-id_58890538	259.39	XWPMSXJGDNTHNI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007063
ClC1=C(N(CC)CC)C(O)(C(C)(C)C=O)C1=O	PC-id_11821325	259.729	XKNVSGSCTQBZSC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007064
BrC1=C(OCC)C(Cl)(Cl)C1=O	PC-id_13256032	259.913	PQOZJLTWWJCDRK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007065
FC1(F)C(=C(O)C1(F)F)C(F)(F)C(F)(F)F	PC-id_13586994	260.057	DDAWRURGEQHNFD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007066
CCOC1=CC(=C(C(F)(F)F)C(F)(F)F)C1=O	PC-id_101337503	260.133	XDPRASZYIDGSQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007067
NC(=S)N/N=C/1C(=C(O)C1=N/NC(=S)N)O	LI_41617,ZINC22_104086254	260.297	SUGSRHDUZWMFHS-LNUNWCPQSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007068
NC(=S)N/N=C
/C(=C(O)/C1=N/NC(=S)N)O	NSC109865,ZINC22_104086253,CoCoCo_5431540	260.297	SUGSRHDUZWMFHS-UVEKSMONSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007069
NC(=S)N/N=C/1C(=C(O)C1=NNC(=S)N)O	ZINC22_104086250,CoCoCo_5431541,CoCoCo_5431542	260.297	SUGSRHDUZWMFHS-NTXSPULPSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007070
S=C(NNC1=C(NNC(=S)N)C(=O)C1=O)N	PC-id_3337241	260.297	WFTPIRCLWJNWCF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007071
CCCCCC1=C(CC1)[P+](OCC)(OCC)[O-]	PC-id_102279548	260.31	RDOFTLPWNZCCSY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007072
C=C/C(=C(C=C(CC)/C)/CNC1=C(N)C(=O)C1=O)/C	PC-id_143601977	260.332	LISWOBRNKPZTKY-RJECPTDASA-N	00000100000000000000000000000000000000000000000000000000	06-01-007073
CCOC(=O)[C@@](C)(CC=C)C=C=C(C)C1=C(CC1)C	PC-id_134884817	260.371	QXXFIBWOFHJYBD-LKDXBUKQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007074
CCOC(=O)[C@](C)(CC=C)C=C=C(C)C1=C(CC1)C	PC-id_134983661	260.371	QXXFIBWOFHJYBD-NPMYUJNRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007075
O(C(=O)C(CC=C)(C=C=C(C1=C(CC1)C)C)C)CC	PC-id_11054417	260.371	QXXFIBWOFHJYBD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007076
CCCCN(CCN(C(=C1CC1)C1=C=CC1)C)CC	PC-id_142855689	260.418	BENOICRUZUYORX-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007077
ClC1=C(Cl)C(C1(Cl)Cl)(Cl)Cl	LI_143888,SCHEMBL8176504,PC-id_22504,NSC136548,CoCoCo_5468673	260.761	QXFKQCYWJWBUTR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007078
CC(C(Br)(C)C)(OC1=CC(=O)C1=O)C	SCHEMBL7874355	261.112	WCGLZQFQTMAGOT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007079
CC(=C)N(C1=C(CN1)OC)N1CC(C1)OC(F)F	PC-id_163622524	261.129	HPIDFIJGZRFMOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007080
C/C=C(/C)C=C/C(=C)N=C1[C@H](C(=C1C(=O)OC)O)C	PC-id_163539184	261.136	GYFHXZPKRHQHTA-MJXRFCFZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007081
CCC([C@@H]([C@@]1(C)C=CC1(C)Br)C)OC	PC-id_139384955,SCHEMBL21239885	261.199	RFBPEYMJJKRNTG-UZEXVOJHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007082
C=N/C=C(/NC1=C(C(=O)C1=O)NCC(F)(F)F)C	PC-id_143280364	261.201	WWSHNMORONUBSS-HWKANZROSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007083
CCOP(=O)(C1=C(CC1)NC(C)(C)C)OCC	PC-id_145997483	261.298	WCHBBNHWGBZPPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007084
COC1=C(C(=O)C1=O)C(CC1CC1(C#N)C(C)C)C	SCHEMBL21389797,PC-id_139517381	261.316	HPJUPZMQSOASGQ-UHFFFAOYSA-N	00100100000000000000000000000000000000000000000000000000	06-01-007085
CC(=CCC/C=CCN(C1=CCC1(C)C)C(C)C)C	PC-id_122692198,SCHEMBL18231891	261.445	DKUDMBUWICYNFP-NTMALXAHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007086
CCN(CC)C1=C(S(=O)(=O)C1C)[Si](C)(C)C	PC-id_134932385	261.456	DGACEAVDRFWPLJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007087
CCN(CC)C1=C(S(=O)(=O)C1[Si](C)(C)C)C	PC-id_134933166	261.456	DLSRBJUHDLLCQN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007088
C1(=C(C(C1(C(F)(F)F)C(F)(F)F)(F)F)F)F	PC-id_154989600	261.984	DIHFHQQJZWBZCJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007089
C1(=C(C(C1(C(F)(F)F)F)(F)F)F)C(F)(F)F	PC-id_154989599	261.984	DSFCZJBBFGKPPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007090
C1(=C(C(C1(F)F)(C(F)(F)F)F)F)C(F)(F)F	PC-id_155155830	261.984	LSNXMXJMXURLQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007091
C(/C=C/COP(=O)(O)O)NC1=C(C(=O)C1=O)N	PC-id_154350384	262.035	LKIDBXRGHZLTLD-OWOJBTEDSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007092
FC1=C(C(C(F)(F)F)(F)F)C(C1(F)F)(F)F	SCHEMBL5396834,PC-id_12842338	262.048	NXHQVQZLTRXACX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007093
F[C@@]1([C@](F)(C(=C1F)F)C(F)(F)F)C(F)(F)F	PC-id_22211770	262.048	KPDHRMLTIGDRFC-ZXZARUISSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007094
FC1(C(F)(C(=C1F)F)C(F)(F)F)C(F)(F)F	PC-id_522913	262.048	KPDHRMLTIGDRFC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007095
FC1(F)C(F)(F)C(=C1C(F)(F)F)C(F)(F)F	PC-id_12708025,SCHEMBL11391710	262.048	NTKUJFIRVBVVLI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007096
O=C1C(=C(C1=O)NC(C(F)(F)F)C(F)(F)F)N	PC-id_141345402	262.109	JFVITBBLGJLLHC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007097
CC(C1=CC(C1)CC(=C)C)I	PC-id_89145420	262.131	QGHVHJKQERKTKD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007098
CC(=C)C[C@@H]1CC(=C1)C(I)C	SCHEMBL13674274	262.131	QGHVHJKQERKTKD-GKAPJAKFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007099
C=CCNC(=O)C[N+]1(C=CC1(Cl)Cl)CC=C	PC-id_88178614,SCHEMBL7643112	262.156	BMEJXQOCUZGPSN-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-007100
COC1=C(C#CC2=C(C(C2)(F)F)OC)CC1(F)F	PC-id_121014925	262.2	TYZDHOMCWYVMKK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007101
P(=O)(OCC)(OCC)CNC1=C(N)C(=O)C1=O	PC-id_10038324	262.2	QHNMLAXBKULCGA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007102
CC(CC(C)(CCOO)C1=CCC1)COOOO	SCHEMBL12038835,PC-id_88871208	262.299	BNZCVTZKMUIDSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007103
CCC1=C(CC1C)C(=O)OC(=O)C1=C(C(C1)C)CC	PC-id_87195781	262.344	LTRSSBXAGQXACU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007104
O1CC(=C1C(=O)OC)C=CC=C(CCC=C(C)C)C	PC-id_54323475	262.344	STGUSPPQQCWHKC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007105
O(C1=C(/C=C(/CCCC)C(=C)C)C(=O)C1=O)C(C)C	PC-id_10611512	262.344	QJQGLVVBYQKQJH-XFXZXTDPSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007106
O(C1=C(/C=C(CCCC)/C(=C)C)C(=O)C1=O)C(C)C	PC-id_10682919	262.344	QJQGLVVBYQKQJH-FMIVXFBMSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007107
O(C1=C(C=C(CCCC)C(=C)C)C(=O)C1=O)C(C)C	PC-id_85205153	262.344	QJQGLVVBYQKQJH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007108
CCC(=C)COC(=O)C1(C(C(=N1)NCC#C)C)CC	PC-id_91213907	262.347	QDENXIKNFBNZGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007109
C1(C(=C(C1=C(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_21601615	262.473	TYCCNJBDETVBHF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007110
CC(C)C1=C(C(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_134898031	262.473	BOYDHPRBLFKPMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007111
CCCCC1=C(CC1C)CCCCCCCCC=C	PC-id_90719786	262.473	LIOBJCRPIIDSRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007112
CCCCC(=C1CC(=C1CCC)CCC)CCCC	PC-id_138963747	262.473	XVZZPESJILAWGF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007113
C/C(=C/[C@@H]1CC(=C1)OI)/C=N	SCHEMBL19122870	263.076	LLACTSRZFZVEGO-OHOPPPAGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007114
C1(=C(C(=N)C1=N)N)C(C(C(F)(F)F)(F)F)(F)F	SCHEMBL12510905,PC-id_88927862	263.116	CQCLWOPFUWJQJF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007115
ClC1=C(Cl)C(=O)C1(O)CC(=O)C(C)(C)C=C	PC-id_10858302	263.117	XSEBEEBMFDMPPD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007116
OC[C@H]1C=C[C@H]1COC(=O)C(Br)(C)C	PC-id_102032934	263.128	XRNJGAUWIBVOAA-SFYZADRCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007117
CCOC1=C(C(=O)C1=O)NCCCP(=O)(O)O	SCHEMBL9205982,PC-id_21739336	263.184	NLRCRSOHXIBGIQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007118
P(=O)(O)(O)CCNCC1=C(OCC)C(=O)C1=O	PC-id_19738172	263.184	JSKHODQPMVOIFJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007119
C/C=CC(=C/C=C)CSCC(=O)NCC1CC=C1	PC-id_143854695	263.398	XPHCFJXIXSWMGD-QWPDWJTASA-N	00001100000000000000000000000000000000000000000000000000	06-01-007121
C=C1C(=C(C1=O)NC(CC(C)(C)C)CC(C)(C)C)C	PC-id_143748199	263.418	JSYORSMDTLTCBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007122
CCCCCCCCCCCCC1=C(N)C(=N)C1=N	PC-id_59755506,SCHEMBL12432570	263.422	IRRYZYOXIUNJMK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007123
N1C(C(C2NC(C2)CC)C2N=C(C2)CC)CC1CC	PC-id_58590195	263.422	DDXNJIQIBYVEMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007124
[As]1(C(F)(F)C(=C1)OCC)C(F)(F)F	PC-id_86235032	264.025	OCHFFZBYJVDACZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007125
C(CCOP(=O)(O)O)CNC1=C(C(=O)C1=O)N	PC-id_154335275	264.051	ZENNYIDBVLPENV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007126
IC1=C(CCCCCC)CC1	PC-id_10912363	264.146	GJBLGRBYGAZGRD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007127
CCC(C)CC(C)C=C(C)C1=CC(=CC(=O)OC)O1	PC-id_146683333,CNP0441277	264.173	CLUMGRFRMRCNKL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007128
CN(C)CCC(C1=NC=C1/C=C(/C1CC(=C1)F)N)N	PC-id_163757461	264.175	LVHLGOGTNUZNLR-QPEQYQDCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007129
CC/C=C(/CC(CC(=C)N)NC)[C@]1(C(=CC1=C)C)F	PC-id_164114085	264.2	XZOBVXALHOUOHE-IVHBCNKASA-N	00001100000000000000000000000000000000000000000000000000	06-01-007130
CCCCCOC=CC1=CC(=O)C1(CC)CCCC	PC-id_154401824	264.209	KJPCNQKOWAOXAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007131
O=C1C(=C(C1=O)CCCCCC1=C(O)C(=O)C1=O)O	SCHEMBL8744416,PC-id_22910859	264.231	BTLCABZXHILXFO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007132
C1(=C(C(=S)C1=S)S)C(C(F)(F)F)(F)F	SCHEMBL12510908,PC-id_88927865	264.259	OSWRKMOMAKQZLP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007133
CC1=C(C(=C1C)C(=O)OCCOC(=O)C(=C)C)C=O	SCHEMBL14000202,PC-id_89222235	264.274	LAWQWHMKCRHTMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007134
O(C1(C(=C(C1=O)CC(=C)C)OCC)CC(=C)C)CC	PC-id_10912392	264.36	OXJPHEGCHQLVKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007135
O(C1=C(C(CCCC)(C1=O)C=C)CCCC)C(=O)C	PC-id_85692845	264.36	IMVCESADRXJLOS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007136
CC(C(C1=CCC1)C(=C)NC)NCC(C1=CCC1)F	SCHEMBL19943291,PC-id_134321570	264.382	BMSYYSFGKQQQNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007137
C=CCC1(OC)C(=O)C(=C1OC)C#C[Si](C)(C)C	PC-id_101614814	264.392	JOJREYAPJFPVON-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007138
CCCC[C@]([C@H](NC1=C(N)C(=C)C1=C)CC)(OC)C	PC-id_145524668	264.406	YOQBVCXSCNJRAM-CZUORRHYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007139
[Si](OC1C(=C(C1=O)C=C(C)C)CCC=C)(C)(C)C	PC-id_10706768	264.435	JJJPVFZVYOTTNN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007140
CCCC(C)C1CC(=C1CC(CC)C(C)CC)CC	PC-id_91108250	264.489	QVWHABXEJRPGLJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007141
CCCCC(CCC(CC1CC(=C1)C)CC)CCC	PC-id_141974328	264.489	RISWXHLTSPFBIP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007142
COCC1(CC(=C1Cl)C(C)(C)C)P(=O)(C)C	PC-id_101577995	264.729	OCYNETUUSFRYTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007143
ClC1(C(=C(C1=O)C#CCCC)OC)C#CCCC	PC-id_15129427	264.747	QBKGEVQPELZLTG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007144
CCCNC1=C(C(=O)C1=O)I	PC-id_154537315	264.96	SAWPXOVOLVRBTL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007145
CCOC1=C(C(=O)C1=O)NCCOP(=O)(O)O	PC-id_153808663	265.035	SISRZSOYGBQPCU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007146
C1C(=CC1(C(=O)O)N)C=CI	PC-id_88318262	265.048	ZNESIOPJFQACBD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007147
CC(C)C1=C(C(=O)C1=O)NI	PC-id_134504425,SCHEMBL20146266	265.048	XPGCRVWIVHKWJD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007148
NC1(CC(=C1)/C=C/I)C(=O)O	SCHEMBL8531002	265.048	ZNESIOPJFQACBD-OWOJBTEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007149
CCN(C)C1=C(C(=O)C1=O)CCCCCC(C)(C)C	PC-id_161794835	265.204	WNKCZFORCISRKJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007150
FC(F)(F)C(=O)C1=C(NC(C)C(=O)O)CC1(C)C	PC-id_71670783	265.229	MQZOOJNTYLVVGD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007151
FC(F)(F)C(=O)C1=C(NCC(=O)OC)CC1(C)C	PC-id_71670782	265.229	DRHDPZLFQZSTEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007152
CCCCOC1=C(C(=O)C1=C(C#N)C(=O)OCC)O	PC-id_88093536	265.262	VOUYIUGVMGULDH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007153
CCCCOC1=C(C(=O)C1=O)C(=C=N)C(=O)OCC	PC-id_136427893	265.262	BIUZOTGVFLCESV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007154
COC1=C(C(=C1[N+](C)(C)C)[N+](=O)[O-])S(=O)(=O)O	PC-id_101028603	265.264	VFFFCDWTPKGUFR-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-007155
CCCCCCCCCCCNC1=C(O)C(=C)C1=O	SCHEMBL14498001,PC-id_58898482	265.391	NXIMUMDHHCADEE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007156
CCCCCCN(C1=CC(=O)C1=O)CCCCCC	PC-id_141024887	265.391	FGQZLQGLNGZMLQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007157
CC(N(C(C)C)N=NC1=C(C(=O)C1C)C(C)(C)C)C	PC-id_122370373	265.394	SDHQOYXOFWHQCT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007158
C1(=C(C(=O)C1=O)O)C(C(C(F)(F)F)(F)F)(F)F	PC-id_89057013,SCHEMBL13296899	266.07	ZNOPBALUDAOYFW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007159
FC1(F)C(=CC1(F)F)OC1=CC(C1(F)F)(F)F	SCHEMBL3361031	266.088	RBRSQRILZWHSEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007160
IC1=C(CC1)CC(OCC)C	PC-id_13813409	266.119	OWTVKVKOKITZSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007161
CCCCC(C1=CC(=C1[C@H](CNC)F)Cl)Cl	SCHEMBL19980912,PC-id_134354621	266.182	DSKACHSMTZDDCH-UMJHXOGRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007162
CC(C)(C)C1=C(C(=O)C1=O)N(C)CCCCN(C)C	PC-id_153438726	266.199	ZYRGXWCRRBYTMK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007163
CCCCCCN(C)C1=C(C(=O)C1=O)N(CC)CC	PC-id_155278362	266.199	NTNCWWMAUSKIDD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007164
CCCN(CC)CCCCN(C)C1=C(C(=O)C1=O)C	PC-id_155281023	266.199	OHYXXPBOVJWWDG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007165
CCCN(C)CCCNC1=C(C(=O)C1=O)C(C)(C)C	PC-id_153438716	266.199	GBAOAYVDYOCUHF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007166
CCCN(CC)CCN(C)C1=C(C(=O)C1=O)C(C)C	PC-id_153547790	266.199	KQQJNUFCGXUWMR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007167
CCNC1=C(C(=O)C1=O)N(C)CCCCC(C)(C)C	PC-id_153438650	266.199	VBWDVXWTTPLUNK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007168
CCN(CC)CCCNC1=C(C(=O)C1=O)C(C)(C)C	PC-id_153438640	266.199	OWQHWEXNLAIPDD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007169
C1C=CC1(C(=O)O)C(=O)OC(=O)C1(CC=C1)C(=O)O	PC-id_87233983,SCHEMBL1361689	266.204	BWTSWZOJZYGMQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007170
C1=CC(C1C(=O)O)C(=O)OC(=O)C1C=CC1C(=O)O	SCHEMBL1362792,PC-id_87234164	266.204	NUAHOASJKTWDHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007171
CCOC1=C(C(=O)C1=O)C(C(=O)C)(C(=O)C)C(=O)C	SCHEMBL11912112,PC-id_88853354	266.247	LZYSEOGKVGNTCU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007172
COC#CCOCC#CC1(C(=C(C1=O)OC)OC)O	PC-id_134873578	266.247	PFMXUAXQNMIDBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007173
O(CCC(=C)OC(=O)CCC(=O)O)C(=O)C1=CC=C1	PC-id_58916385	266.247	NCADUQHLBACAQT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007174
CCC1=C(CC1)C(=O)OC=C(CCC1CO1)C(=O)O	PC-id_87696984,SCHEMBL4595677	266.29	IJBKJPBHECTWSK-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007175
C=CCN(C1=C(N)C(=O)C1=O)CC(=O)OC(C)(C)C	SCHEMBL9199626,PC-id_11777679	266.293	ZGHWMZQPSBAQAU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007176
O(C1=C(OC(C)C)C(=O)C1(O)C#CCCC)C(C)C	PC-id_10978398	266.333	HLRUPUFCTATHMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007177
S(=O)(=O)(O)CCNC1=C(NC)C(=S)C1=S	PC-id_20712493	266.361	KFHMQGLFXSHSQF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007178
CCC(=C1C(OC(=O)C)C=C1C(CC)(CC)O)CC	PC-id_102207096	266.376	WMFZKLXZSYSNBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007179
CCCCCCCCCCCCC1=C(O)C(=O)C1=O	SCHEMBL12432438,PC-id_59755455	266.376	HWLYCQGYGZKPBA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007180
CCC(=O)CCCCC(C)C(C1CC=C1)OC(=O)C	PC-id_90824814	266.376	MQJCTWSLBAZICQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007181
O(C1=C(CCCCCCCCCCC)C(=O)C1=O)C	PC-id_85586437	266.376	ITNOFENMWCEXFB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007182
O(C1=C(C(C(C)(C)C)C(C)(C)C)C(=O)C1=O)C(C)C	PC-id_21058204	266.376	IXWZZDSZKLOJBO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007183
OC1(C(OC)C(=C1C=C(C)C)OC(C)C)CCC=C	PC-id_10563713	266.376	DQDQZASREHZPBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007184
OC(C1=C(CCCCC)C(=O)C1=O)CCCCCC	PC-id_10978408	266.376	HCZUMHGMFMZOAC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007185
O(CCCCCCCCCCCC)C1=CC(=O)C1=O	PC-id_71393241	266.376	SJOSKIFLLUHHDI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007186
C/C(=C(C=C/C(=C)CSC)/F)/NC1=C(C(=C)C1)N	PC-id_143343834	266.377	UKQQHHKECSVYIT-KSIKAEMPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007187
CC(C)(C)C1=C(C(=O)C1=O)N(C)CC(C(C)(C)C)N	PC-id_88935850	266.379	HSYXKMVTRNJPBC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007188
CC(C)(C)C1=C(C(=O)C1=O)NCC(C(C)(C)C)NC	SCHEMBL8283928,PC-id_88274488	266.379	SHHXYGAGTKRUNT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007189
CCCN(CCC)CCCCNC1=C(C)C(=O)C1=O	PC-id_139376638,SCHEMBL21230847	266.379	OSIGJZDQRXXDNB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007190
CCCN(CCC)CCCN(C1=C(C)C(=O)C1=O)C	PC-id_139376637,SCHEMBL21230846	266.379	WISNBRMNNKKUDU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007191
CCCN(CCNC1=C(C(=O)C1=O)C(C)(C)C)CC	PC-id_139376635,SCHEMBL21230844	266.379	GKLKDNGYDDLJIA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007192
CCN(CCCN(C1=C(C(=O)C1=O)C(C)(C)C)C)C	PC-id_139376644,SCHEMBL21230853	266.379	YPEPCGCAASUIPU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007193
CN(C1=C(C(=O)C1=O)C(C)(C)C)C[C@H](C(C)(C)C)N	SCHEMBL12585583	266.379	HSYXKMVTRNJPBC-SECBINFHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007194
CN(C1=C(C(=O)C1=O)N(C)C)CCCCC(C)(C)C	PC-id_139376761,SCHEMBL21230983	266.379	LGZSBXYROFHJQB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007195
CN[C@@H](C(C)(C)C)CN(C1=C(C(=O)C1=O)C(C)C)C	SCHEMBL13804492,PC-id_70997027	266.379	MFTRBMUXEXBCAX-SNVBAGLBSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007196
O=C1C(=C(C(C)C)C1=O)N(CC(NC)C(C)(C)C)C	PC-id_77966508	266.379	MFTRBMUXEXBCAX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007197
[Si](OC1(C(=C(C1=O)C=C)OC)CC(=C)C)(C)(C)C	PC-id_10683204	266.408	QJRFBXIIPZLQME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007198
[Si](C1=C(CCCCCCCC)C(=O)C1=O)(C)(C)C	PC-id_15371418	266.451	SCDLOLSFZBFVLM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007199
[Si](CC1CC=C1C(=O)C)(C(C)C)(C(C)C)C(C)C	PC-id_10934426	266.494	XGDSQTXGXUATCX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007200
CCCNC1=C(C(C1=O)O)I	PC-id_164144958	266.976	YZNUOEOVEHEUII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007201
CCN(CC)C1=C(S(=O)(=O)C1Br)C	PC-id_154210108	266.993	LBTVOZIIEHHLIP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007202
ClCCCOC1=C(OCCCCl)C(=O)C1=O	PC-id_71393220	267.106	GCSQJHYJZIWDEB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007203
CC(C)(C)CCCCCC1=C(C(=S)C1=O)N(C)C	PC-id_161276606	267.166	QQEDQTNVGSWVBT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007204
CCNC1=C(C(=O)C1=S)CCCCCC(C)(C)C	PC-id_161276607	267.166	FSJWEAHHPFNZSW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007205
CC(C)CCCNC1=C(C(=O)C1=O)NCCN(C)C	PC-id_153551421	267.195	DELYIFHIQPZFOQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007206
O=C(OC(C)(C)C)NC1C=C([C@@H]1OC(F)(F)F)C	SCHEMBL20862590,PC-id_138511267	267.245	QSAVAPVOKNRKTR-MQWKRIRWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007207
CCCC(=O)N[C@@H](C(=O)O)CCC1=C(C)C(=O)C1=O	PC-id_57755350,SCHEMBL13759827	267.278	SGIZQCZPSVOWSO-SECBINFHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007208
COC(=O)CCCCCCCCC(=O)N1C=CC1=O	PC-id_139990322	267.321	FEKBFEIMMLKDNJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007209
CCCCNC1=C(C(=O)C1=O)N(CCNC(=O)C)C	1520225_OpenMolecule,CT-id_1520225,PC-id_139045445	267.324	HFVCQTYGOADWSY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007210
CCCCCCCCCCCNC1=C(O)C(=O)C1=O	SCHEMBL14518628,PC-id_16747393	267.364	PCVHYXDFWAVVBD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007211
CCCCN(C1=C(C(=O)C1=O)OCC)CC(C)(C)C	PC-id_142311335	267.364	WLTUBSFMTJZAHG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007212
CCCCNC1=C(C(=O)C1=O)N(CCCN(C)C)C	PC-id_76325618,SCHEMBL16255542	267.367	VUQKBHWXTBNFPC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007213
NN[C@@H](C(C)(C)C)CN(C1=C(C(=O)C1=O)C(C)C)C	PC-id_143195857	267.367	NGSJZBLZMVTWOO-SECBINFHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007214
C[C@H]([C@@H]1[C@H](N=C1O)C=C=C)O[Si](C)(C)C(C)(C)C	PC-id_136825823	267.439	KFTRQCLEBISOAN-IJLUTSLNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007215
BrC1C(Br)C(=C1CC)CC	PC-id_85649508	267.989	DXKSZGAPKAFCDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007216
BrC1C(=CC1Br)C(C)(C)C	PC-id_85649259	267.989	UEOPRVRABHWUHN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007217
BrC1C(=CC1Br)CCCC	PC-id_85649427	267.989	JLNHQHSVTAMCLL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007218
[Se](C1=C([Se]C)C(=O)C1=O)C	PC-id_143938	268.031	ZKXALDYTEUYNED-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007219
CC(C)(C)C1=C(C(=S)C1=O)N(C)CCCCNC	PC-id_153438701	268.161	MYQODWKJLIYICW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007220
CC(C)(C)C1=C(C(=S)C1=O)NCCCCN(C)C	PC-id_153438693	268.161	GHXWAZWXQZUXED-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007221
CC(C)(C)C1=C(C(=S)C1=O)N(C)CCCN(C)C	PC-id_153438717	268.161	IRUIOHMRTPKFNV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007222
CC(C)CCCCN(C)C1=C(C(=O)C1=S)N(C)C	PC-id_153547723	268.161	PWVQMCFDNBBZFM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007223
CC(C)CCCCN(C)C1=C(C(=S)C1=O)N(C)C	PC-id_153333428	268.161	PARJJYBKVCVPMN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007224
CCCN(CCC)CCCCNC1=CC(=S)C1=O	PC-id_153547988	268.161	UKTJGQVXNQLMNP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007225
CCCN(CC)CCCCNC1=C(C(=S)C1=O)C	PC-id_155278329	268.161	QUFPYAVYLVFWMB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007226
CCCN(CCC)CCCN(C)C1=CC(=O)C1=S	PC-id_153333277	268.161	UWNKVODUXZIXNO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007227
CCCN(CC)CCCCN(C)C1=CC(=S)C1=O	PC-id_153333395	268.161	LRRNIXUAAIEXQV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007228
CCCN(C)CCCCNC1=C(C(=S)C1=O)CC	PC-id_153551502	268.161	GTWLTXBUJUHGEO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007229
CCNC1=C(C(=O)C1=S)NCCCCC(C)(C)C	PC-id_153333440	268.161	QKCRGYHPQBOVID-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007230
CCN(C)C1=C(C(=O)C1=S)NCCCCC(C)C	PC-id_153551505	268.161	ZILLKRZRHYZEGM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007231
CCN(C)C1=C(C(=S)C1=O)NCCCCC(C)C	PC-id_155281364	268.161	AADGNKXZKIRZKU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007232
CCN(CC)C1=C(C(=O)C1=S)N(C)CCC(C)C	PC-id_153333379	268.161	UIHFRTHIBGLMTC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007233
CCN(CC)C1=C(C(=S)C1=O)N(C)CCC(C)C	PC-id_153551302	268.161	HDQIAMCIKCRMOK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007234
CCN(CC)CCCCN(C)C1=C(C(=S)C1=O)C	PC-id_155278334	268.161	SUBQJJANTDEPPG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007235
CCN(C)CCCNC1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438668	268.161	SJOVVTKZIHOGKV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007236
CCN(C)CCCNC1=C(C(=S)C1=O)C(C)(C)C	PC-id_153438690	268.161	GZJLMLMJILYKLR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007237
CCN(C)CCN(C)C1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438634	268.161	QWCQLCPBTHRSSN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007238
CCN(C)CCN(C)C1=C(C(=S)C1=O)C(C)(C)C	PC-id_153438694	268.161	OYTZBKSSXJWCNS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007239
CCCN(CCC)CCCN(C)C1=C(C(=O)C1O)C	PC-id_155278229	268.215	MHEHQMVMJJVLDK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007240
C=CCOC1=C(C(C1=O)(OCC)OCC=C)OCC	PC-id_101894412	268.306	VGRNHOQDOIPXJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007241
CC(OC1=C(C(=O)C1=O)C(C(=O)OC(C)(C)C)C)C	PC-id_101058333	268.306	HCAASHOMEYHPSN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007242
CCOC(=O)/C=C/1C(=O)C(=C1OC(C)C)OC(C)C	PC-id_102091998	268.306	RROXITZEQVDYJO-JXMROGBWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007243
CCCCC1=C(O)OC1(C)CC/C=C/C(=O)OCC	PC-id_101194187	268.349	IOQKDVFZXBMCJN-JXMROGBWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007244
CCCN(CCOCCNC1=C(C)C(=O)C1=O)CC	SCHEMBL21231199,PC-id_139376955	268.352	QWXKNNRRLSFLGM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007245
CCN(CCOCCN(C1=C(C)C(=O)C1=O)C)CC	SCHEMBL21231193,PC-id_139376949	268.352	VHVAUACXYUWFNT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007246
CNCCOCCN(C1=C(C(=O)C1=O)C(C)(C)C)C	PC-id_139376948,SCHEMBL21231192	268.352	CNOMMHCDDYXPBP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007247
COCCCCCCNC1=C(C(=O)C1=O)NC(C)C	PC-id_145673720	268.352	UANYGWBMYAUPGR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007248
C1(=C(C(=O)C1=O)NCCCN(C)C)NCCN(C)C	ZINC22_101676008,PC-id_51052756,MCULE-3047759563,EMOLS-id_31663429,STOCK7S-04673	268.355	WROYCXHVJWTPHY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007249
[Si](C)(C)(C)C#CC1(O)C(=C(OCC)C1=O)OCC	PC-id_11000066	268.381	MDFDDXWSIHNWSX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007250
CCCCCCC1=C(OC1=O)C[C@H](CCCCC)O	PC-id_67689517,SCHEMBL8780228	268.392	ZYHVOHISVGPPMV-ZDUSSCGKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007251
CCCCCCCC1C=C(O1)CCCCCC(=O)O	PC-id_90135073,SCHEMBL15689620	268.392	WEJXNDHVEYZSQC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007252
O1C(=C(CCCCCC)C1=O)CC(O)CCCCC	PC-id_77336956	268.392	ZYHVOHISVGPPMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007253
O(C1(C(=C(C1=O)CCCC)OCCC)CCCC)C	PC-id_85678744	268.392	AIRQIKBHGRKHFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007254
CNC/C(=C/C(=CC=C)/CNC1=C(C)C(=C)C1=C)/C=C	PC-id_143345894	268.397	PTSATAKUJAIBCC-ZIFCOWSCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007255
CCCCCCN(C1=C(C(=S)C1=O)N(CC)C)C	PC-id_139376684,SCHEMBL21230894	268.418	UYDDXIDFJYHGOE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007256
CCCCCN(C1=C(C(=S)C1=O)N(CC)CC)C	PC-id_139376677,SCHEMBL21230886	268.418	VYLCHWJTPTTYBP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007257
CCCN(CCC)CCCNC1=C(C)C(=O)C1=S	SCHEMBL21231000,PC-id_139376778	268.418	QRYYHZITMHWVSQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007258
CCCN(CCC)CCCNC1=C(C)C(=S)C1=O	SCHEMBL21231015,PC-id_139376793	268.418	CVHOHVGLCCQMCR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007259
CCCN(CCCN(C1=C(C)C(=O)C1=S)C)CC	PC-id_139376767,SCHEMBL21230989	268.418	QNHADXYSGHELTH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007260
CCCN(CCN(C1=C(C)C(=O)C1=S)C)CCC	PC-id_139376931,SCHEMBL21231173	268.418	MVBSJUCKWDNSIA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007261
CCCN(CCNC1=C(C(=S)C1=O)C(C)(C)C)C	SCHEMBL21231269,PC-id_139377015	268.418	IKEVEJYPRDBZDX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007262
CNC1=C(C(=O)C1=S)N(CCCCC(C)(C)C)C	PC-id_139376681,SCHEMBL21230891	268.418	CMLGJJJVZWJUEZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007263
CN(CCCN(C1=C(C(=S)C1=O)C(C)(C)C)C)C	PC-id_139376794,SCHEMBL21231016	268.418	LRYCLXOLGKXXLD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007264
CC1=C(C(C1=O)(/C=C[Si](C)(C)C)O)OC(C)(C)C	PC-id_134876326	268.424	FDFNPINMULIGDR-HJWRWDBZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007265
[Si](OC1(C(=C(C1=O)C(C)C)OC)C(=C)C)(C)(C)C	PC-id_10539881	268.424	AVGMWIYUWWWPMY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007266
C=CCCCC1(OC(=C1C)O)[Si](C(C)(C)C)(C)C	PC-id_102509968	268.467	QJXABDWKOPPCSG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007267
ClC1=C(C(F)(F)C1(F)F)CC(F)(F)OCC	PC-id_23234750	268.584	KEPRRLMLRNHHSS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007268
ClOP(=O)(OOC1=CCC1)OOC1=CCC1	PC-id_141375524	268.588	LDCMTKFKUBFWLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007269
C1(=C([Sn](C1(F)F)(F)F)F)F	PC-id_88393135,SCHEMBL8973025	268.724	CEPCOYDWQIDKCX-UHFFFAOYSA-L	00001100000000000000000000000000000000000000000000000000	06-01-007270
Cl/C=[Si]
/C(CC(C)(C)C)C(=C1C)C(=C(C)C)C	PC-id_54284096	268.897	RSWDBPPOFZPTGJ-RQZCQDPDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007271
ClC=[Si]1C(CC(C)(C)C)C(=C1C)C(=C(C)C)C	PC-id_76117054	268.897	RSWDBPPOFZPTGJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007272
CC(C)(C)CCCCCC1=C(C(=S)C1=S)NC	PC-id_161375120	269.127	QQLFSXABVPJLOX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007273
CCN(C)C1=C(C(=S)C1=O)N(C)CCCCNC	PC-id_155278350	269.156	ODFHXMRYSDYDTD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007274
C1(=C(C(=O)C1=O)NCCCN(C)C)NC(C)(C)CO	MCULE-1870629868,EMOLS-id_31664224,STOCK7S-05496,ZINC22_101677604,PC-id_51053009	269.34	ZCJWRTCIKMTZTJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007275
CCCCCC(C(C)N)C(C(CC)C1CC=[N+]1C)O	PC-id_91391729	269.446	FQCMBLHKVWDBKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007276
C1(=C(C(C1(F)F)(F)I)F)F	PC-id_149022230	269.896	QDRNQURSTVIONV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007277
IC1=C(F)C(F)(F)C1(F)F	PC-id_12524760	269.939	RSPVJTLIJMPZLX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007278
C1(=C([As](C1(C(=O)O)F)(F)(F)F)F)F	PC-id_88112732	269.962	UWVXVBKGFKSNSW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007279
CC(C)C1=C(C(=S)C1=S)N(C)CCCN(C)C	PC-id_155281059	270.122	CCJAJKXSVJIUHI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007280
CC(C)CCCCNC1=C(C(=S)C1=S)N(C)C	PC-id_153333330	270.122	SDPGBCUJVKRROQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007281
CCCCCCN(C)C1=C(C(=S)C1=S)N(C)C	PC-id_153547975	270.122	UUMULTKMSAQMOK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007282
CC(C)CCCN(C)C1=C(C(=S)C1=S)N(C)C	PC-id_155278407	270.122	WISMHUPSDGYTLY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007283
CCCCN(C)C1=C(C(=S)C1=S)N(CC)CC	PC-id_155278397	270.122	GBXOBOFYPSRGSQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007284
CC(C)(C)OC(=O)NCCNC1=C(C(=O)C1=O)OC	PC-id_152029938	270.122	UMMLLHIXWXDAPE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007285
CCCN(CCC)CCN(C)C1=CC(=S)C1=S	PC-id_153333431	270.122	ODTSCEIUWRTBJF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007286
CCCN(CC)CCCN(C)C1=CC(=S)C1=S	PC-id_153551517	270.122	SSHQJIYMSAJXIA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007287
CCCN(CC)CCN(C)C1=C(C(=S)C1=S)C	PC-id_155278535	270.122	ICAOEQVWXUCPOH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007288
CCNC1=C(C(=S)C1=S)NCCCC(C)(C)C	PC-id_153438671	270.122	ZRACRIWQLQSQCN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007289
CCN(C)C1=C(C(=S)C1=S)N(C)CCC(C)C	PC-id_153547762	270.122	MLEAPLXNKSIZBJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007290
CCN(CC)C1=C(C(=S)C1=S)NCCC(C)C	PC-id_153333406	270.122	LLTJEMLSKQMPDB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007291
CCN(CC)CCCCNC1=C(C(=S)C1=S)C	PC-id_155278538	270.122	DBHXLPOYRICOBT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007292
CC(C)C1=C(C(=S)C1=O)NCCOCCN(C)C	PC-id_155278544	270.14	KQYNNFICHLSPRK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007293
CC(C)(C)C1=C(C(=S)C1=O)N(C)CCOCCN	PC-id_153438642	270.14	QVBRNNWZUYLLNU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007294
CCCN(C)CCOCCNC1=C(C(=O)C1=S)C	PC-id_155281026	270.14	KEUHHMOQSNQPPB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007295
CCN(CC)CCOCCNC1=C(C(=S)C1=O)C	PC-id_155278336	270.14	RQCWGYBUSZTBDI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007296
CCN(C)CCOCCN(C)C1=C(C(=O)C1=S)C	PC-id_155278261	270.14	ZELMPIJJFSKQSQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007297
C[C@H]([C@@H]1C(C=C1F)/C=C/C(C(=O)O)O)[C@H](C)C(C)C	PC-id_163856571	270.163	OYUQQVPDPXTECP-PMYAXSEOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007298
CCCCOC1=C(OCCCC)C(C1(F)F)(F)F	PC-id_121012662	270.264	GUVQLMIJUOQKGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007299
CCOC(=O)C1=CC(C1)(C(=O)OCC)C(=O)OCC	PC-id_102411886	270.278	WMHSPBYQIVSRJS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007300
CCOC(=O)C([C@H]1C=C[C@H]1C(=O)O)(C(=O)OCC)C	PC-id_102343434	270.278	GSIJKLHCRDUTGV-BDAKNGLRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007301
CCOC(=O)C([C@@H]1C=C[C@H]1C(=O)O)(C(=O)OCC)C	PC-id_102343440	270.278	GSIJKLHCRDUTGV-RKDXNWHRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007302
O(C(=O)[C@@H](NC1=C(N(O)C)C(=O)C1=O)CC(C)C)C	PC-id_11608726	270.282	IMLBDMXAWRMCOL-ZETCQYMHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007303
O(C(=O)[C@@H](NC1=C(N(O)C)C(=O)C1=O)[C@H](CC)C)C	PC-id_11630402	270.282	ZVPSSRQDMVBYJG-BQBZGAKWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007304
O(C(=O)C(NC1=C(N(O)C)C(=O)C1=O)CCCC)C	PC-id_11608725	270.282	ZYHFJESMXNGTAQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007305
O(C(=O)C(NC1=C(N(O)C)C(=O)C1=O)CC(C)C)C	PC-id_73028243	270.282	IMLBDMXAWRMCOL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007306
O(C(=O)C(NC1=C(N(O)C)C(=O)C1=O)C(CC)C)C	PC-id_73035505	270.282	ZVPSSRQDMVBYJG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007307
C=CCNC1=C(C(=O)C1=O)N[C@H](C(=O)OC)CS	PC-id_101444332	270.305	LXKMNVWXGXXKNS-LURJTMIESA-N	00000100000000000000000000000000000000000000000000000000	06-01-007308
S(=O)(=O)(OCC1C(C=C1)COS(=O)(=O)C)C	PC-id_72970122	270.323	WHVNYGHISMWTJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007309
S(=O)(=O)(OC[C@H]1[C@H](C=C1)COS(=O)(=O)C)C	PC-id_11459906	270.323	WHVNYGHISMWTJA-OCAPTIKFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007310
CCCN(CCOCCNC1=C(C)C(=S)C1=O)C	SCHEMBL21230981,PC-id_139376759	270.391	LXVDVWKGLZHHOY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007311
CCN(CCOCCN(C1=C(C)C(=S)C1=O)C)C	SCHEMBL21231007,PC-id_139376785	270.391	RQDXLDJIUBKJSI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007312
CNCCOCCNC1=C(C(=O)C1=S)C(C)(C)C	SCHEMBL21230990,PC-id_139376768	270.391	HXWKIDOKCQTNBH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007313
O(C1(C(O)C(=C1OCCC)CCCC)CCCC)C	PC-id_85678748	270.408	JUFKGCZFRMFNTC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007314
[Si](C1=C([Si](C)(C)C)C(F)(F)C1(F)F)(C)(C)C	PC-id_21732139	270.415	FHOQFAAPRNWFDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007315
CC1=C([C@]([C@@]1(C)C#CC(C)(C)C)(C)C#CC(C)(C)C)C	PC-id_134887553	270.452	DEKFIDNXCYTFOD-PMACEKPBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007316
C=CCCCC(C1CC(=C1)C=C=C=C)CCCC(C)C	PC-id_143717686	270.452	DACQNKCKIOIBCK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007317
CCCCCNC1=C(C(=S)C1=S)N(CC)CC	PC-id_139376943,SCHEMBL21231187	270.457	GCAXRRMNPIOBIA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007318
CCCN(CCCN(C1=C(C)C(=S)C1=S)C)C	PC-id_139376713,SCHEMBL21230923	270.457	OKJMUONGCCGOKF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007319
CCCN(CCCNC1=C(C)C(=S)C1=S)CC	SCHEMBL21230922,PC-id_139376712	270.457	PPFZJFRRWRIPMV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007320
CCN(CCCN(C1=C(C)C(=S)C1=S)C)CC	PC-id_139376706,SCHEMBL21230916	270.457	AECMKRXDFZUTPY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007321
CCCCSC1=C(C)N(C1(C)C)C(CN(C)C)C	PC-id_139506467,SCHEMBL21377132	270.477	LBVAGPRFEOLDKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007322
CC(C)(C)C1=C(C(=P1)[Si](C)(C)C)[Si](C)(C)C	PC-id_134907142	270.498	QWNSIDPWCLWEHX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007323
CC(C)(C)OC(=O)C1CC(=C1)NOC(C)(C)C(=O)O	PC-id_149750478	271.142	BDCILTYDOPHBAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007324
CCC/C(=C/C(=C(C)C)CNC1=C(C)C(=C)C1=O)/C=C	PC-id_143342836	271.397	UIDOEDBLGCFEFQ-XNTDXEJSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007325
CNC/C(=C/C(=CCC)/CNC1=C(N)C(=C)C1=C)/C=C	PC-id_143345196	271.4	QVCNSTGKJWCFCR-LPSKSUNQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007326
CC(=O)OC1NC=C1[C@H](O[Si](C(C)(C)C)(C)C)C	PC-id_139650955	271.428	GVSIVBWHOIQDOI-PKEIRNPWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007327
[Si](OCC1C(NC(=O)OC)C=C1)(C(C)(C)C)(C)C	PC-id_15333806	271.428	UDKMJLHMASSQAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007328
[Si](OC[C@H]1[C@@H](NC(=O)OC)C=C1)(C(C)(C)C)(C)C	PC-id_10802081	271.428	UDKMJLHMASSQAG-QWRGUYRKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007329
CCNC1=C(C(=S)C1=S)NCCCCN(C)C	PC-id_139377008,SCHEMBL21231262	271.445	NJSCIBISNTXKHL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007330
C[C@]1(C=CC1I)Br	PC-id_164061034	271.87	WGXGTRCCGAKLOG-BRJRFNKRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007331
C[C@]1(Br)C(=CC1(C)F)CBr	PC-id_144891187	271.953	JNNFTQFJUFLAAT-MLWJPKLSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007332
CN/C(=C(/Br)O)/[C@H]1CC=C1C(F)(F)F	SCHEMBL19242841	272.062	OYCCMBLTCJOXLD-GQBARPDMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007333
CCN(C)C1=C(C(=S)C1=O)N(C)CCCCS	PC-id_155281310	272.102	BZTGEQYSXFDLSB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007334
[SeH]C1=C([SeH])C(=S)C1=S	PC-id_101017575	272.109	JXRZDINESFZLPZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007335
FC(F)(C1=CCC1)C(F)(F)C(F)(F)C(F)(F)F	PC-id_57121580	272.111	SIJWACOZOQOTTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007336
CC(COC)NC1=C(C(=O)C1=O)NCCCCP	PC-id_153551462	272.129	KVHPYYUDVSQMPA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007337
C1(=C(C(=S)C1=S)I)S	PC-id_88927882,SCHEMBL12510938	272.15	RREFRGAPFCDDQY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007338
CCN(CC)CCOCCNC1=C(C(C1=S)O)C	PC-id_155278546	272.156	NFEKBVIDSOMCPB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007339
CCCCC1C(=C(S1(=O)=O)CCCC)CCCC	PC-id_153845991	272.181	DMEGDWYKGXCDMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007340
COCCCCCCNC1=C(CC1O)NCCOC	PC-id_164087666	272.21	XDHHZTLVABTAJM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007341
O(C1=C(C(C1)(CC(=O)OC)C(=O)OC)C(=O)OC)C	PC-id_10516311	272.251	IKTMNSZJOJXEGC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007342
O(CCOC(=O)C1=NC=C1C=C)C(=O)C1=NC=C1C=C	PC-id_56607742	272.256	QAXNBLZQDDKGNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007343
CCOC1=C(C(C1=O)(OCC)CC(=O)OC)OCC	PC-id_101923262	272.294	ZKXOVDWGUBQFTQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007344
COC(=O)CCSC1=C(C(=O)C1=O)OC(C)(C)C	PC-id_102420449	272.317	KGXWFGDKEUOXAJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007345
CSCC[C@@H](C(=O)N)NC1=C(C(=O)C1=O)OCC	2208514_OpenMolecule,CT-id_2208514,PC-id_139069269	272.321	KSYYVSFQSAMKGB-LURJTMIESA-N	00000100000000000000000000000000000000000000000000000000	06-01-007346
CC1=C(C(S1(=O)=O)(C(=O)C)C(C)(C)C)C(C)(C)C	PC-id_134996212	272.404	MMAKRQIOPPMRQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007347
CNC1=C(C(C1=S)S)NCCCCC(C)(C)C	PC-id_139376950,SCHEMBL21231194	272.473	DKASYGFAOMZQKO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007348
CC(C1CC(=C1O[Si](C)(C)C)O[Si](C)(C)C)C	PC-id_20515753,SCHEMBL11223379	272.531	PPVABACCXJZLPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007349
[Si](OC1=C(O[Si](C)(C)C)CC1(CC)C)(C)(C)C	PC-id_14116135	272.531	ZTHZBXZWBDCYHF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007350
CC(C)C1=C(C(=O)C1=O)NCC(C(C)(C)C)NCl	SCHEMBL13612561,PC-id_89128841	272.771	GDLUDSVPJSKZJY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007351
ClN[C@@H](C(C)(C)C)CNC1=C(C(=O)C1=O)C(C)C	PC-id_117783104,SCHEMBL16350423	272.771	GDLUDSVPJSKZJY-MRVPVSSYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007352
CCOC1=C(C(=O)C1=O)NCC(C(F)(F)F)(F)F	PC-id_19082444,SCHEMBL7599457	273.157	YYIBBYKUQAGLES-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007353
CC1=C(C(C1)N)CCC1CC1C(CCC1CC1)C1CC1	PC-id_163882691	273.246	PUQGWYZAJIDGSR-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007354
CCC(C(N(C1=C(P)C(=O)C1=O)P)(C)C)(C)C	PC-id_143359659	273.248	ZSRXNFWTYKDVNC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007355
N#CC(=CC1=C(C(=O)O)C(=C1[N+](C)(C)C)N(C)C)C#N	PC-id_101028602	273.31	BCATUEIBEQRDJQ-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-007356
O(CCNC(=O)C1=CCC1)CCOCCOCCO	PC-id_24803044,SCHEMBL11910893	273.325	SGSNLOXGRXPOLJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007357
FC1(C(F)(F)C(=C1F)F)C(F)(F)C(=C(F)F)F	PC-id_10378618	274.059	KVJURHHEUIMMAJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007358
FC1(F)C(=C(C1=C(F)F)C(F)(F)F)C(F)(F)F	PC-id_23233546,SCHEMBL4037143	274.059	HCCZQCSVCFYRAH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007359
FC(=C1C(=C(C1(F)F)F)C(C(F)(F)F)(F)F)F	PC-id_140118164	274.059	YSJQROXCEWRDRL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007360
FC1(C(F)(F)C(=C1C(F)(F)F)OC)C(F)(F)F	PC-id_23236401	274.084	YUEPLNVMQFMDIQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007361
FC1(F)C(=C(OC)C1(F)F)C(F)(F)C(F)(F)F	PC-id_13586978	274.084	YNXSHRSNCHIIFT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007362
P#COCC1CC(=C1)OS(=O)(=O)C(F)(F)F	PC-id_118928402,SCHEMBL17571348	274.154	XICFEZFWFUUSPI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007363
IC1=C(C#C[Si](C)(C)C)C=C1	PC-id_11090962	274.174	YLDYQILHKGVCPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007364
CCCCC
=C(/C(=C/C(C)C)/C1=C/C(C)C)CCCC	PC-id_164887664	274.266	LNSJFFGQCVXAMC-LRVMPXQBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007365
C=CC(=O)NC(=O)C1=C(C(=C1C)C)C(=O)NC(=O)C=C	PC-id_67764380,SCHEMBL9065738	274.272	CVUIGJVWQDWWOK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007366
O(C1=C(OCCCC)C(=O)C1=C(C#N)C#N)CCCC	PC-id_59124974	274.315	KTYZJOUHMVZTDF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007367
S(C1=C(SCCC)C(F)(F)C1(F)F)CCC	PC-id_86000447	274.342	AROXMDRKAWGOAP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007368
S(C1(F)C(F)(F)C(=C1F)SCCC)CCC	PC-id_86000451	274.342	RGYUGOAPVVBHOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007369
C=C[C@@H](C(/C=C/C(=O)C(=C)C)(C)C)OC(=O)C1=CCC1	PC-id_101878257	274.355	DWNPOYAVFYOGAW-NKSUMMKUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007370
OC1(C(=C(C1=O)C#CCCCC)OC)C#CCCCC	PC-id_15129430	274.355	LZDGFQCGGLDGJM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007371
OC1(C(=C(C1=O)C#CC(CC)C)OC)C#CC(CC)C	PC-id_15129437	274.355	QIVYCZQWVGWQAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007372
CCC/C(=C/C(=C/F)/CNC1=C(N)C(=C)C1=C)/C=CC	PC-id_143343306	274.376	KVTAIOGWYYEJKU-YLULXBCISA-N	00001100000000000000000000000000000000000000000000000000	06-01-007373
CC(C)(C)OC(=O)N1CC(=C1)NS(=O)C(C)(C)C	EMOLS-id_336481121	274.38	LKJXMUIZSRFCEP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007374
[Si](C)(C)(C)C#CC1=C(C(=O)C1=O)C#C[Si](C)(C)C	PC-id_21638244	274.463	QLSYHOFCXKRIQQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007375
CCCCCCCCCCC/C(=C/C1=CCC1)/C=CC	PC-id_143940838	274.484	CSINDNDREVSPGZ-QGBUXEHDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007376
COC1=C(C(=O)C1=O)[Sn](C)(C)C	PC-id_87354019,SCHEMBL2209653	274.88	RFFKPMLVMDEWOC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007377
P(=O)(O)(O)C/C=C/CNC1=C(OCC)C(=O)C1=O	PC-id_19738179	275.195	TWQTWWHLTVYYNM-ONEGZZNKSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007378
P(=O)(O)(O)CC=CCNC1=C(OCC)C(=O)C1=O	PC-id_73652336	275.195	TWQTWWHLTVYYNM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007379
O=C[Pb]1=CC=C1	PC-id_139827322	275.274	FAMTYLKLNJWXNZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007380
CSC1=C(N(C)CCCC[S+](C)[O-])C(=O)C1=O	CHEMBL4448600	275.388	PZNXQWKRHUBIIK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007381
O=CC1=C[Bi]=C1	PC-id_140975950	276.046	GZIPOXGWLHYJPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007382
FC1(F)C(OCOC)(CC(=C)C(F)(F)F)C=C1F	PC-id_58662898	276.176	QVUUKTADTLAVAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007383
C(C(C(C(C(C=O)OC1=C(C(=O)C1=O)O)O)O)O)O	PC-id_89826266	276.197	MWZVNXRZUJLLPL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007384
O=C[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)OC1=C(O)C(=O)C1=O	SCHEMBL15287229	276.197	MWZVNXRZUJLLPL-KVTDHHQDSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007385
CCC(C)OP(=O)(CCNC1=C(C(=O)C1=O)N)O	PC-id_88427746,SCHEMBL9204740	276.226	QOMDKHJMYJICPF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007386
CCOP(=O)(OCC)CCNC1=C(N)C(=O)C1=O	SCHEMBL9204732,PC-id_10333646	276.226	IPVBVKJFAICVEV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007387
C1CC(=C1)C(=O)OC(=O)C=CC(=O)OC(=O)C1=CCC1	PC-id_87118793	276.241	QJLJHTZUHGMQJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007388
O=C(OC(=O)C1=CCC1)/C=CC(=O)OC(=O)C1=CCC1	SCHEMBL504291	276.241	QJLJHTZUHGMQJW-FPLPWBNLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007389
OC1(C(=C(OC)C1=O)OC)C#CCCC#CCCCC	PC-id_15004569	276.328	FYQGXTXOFGJKQD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007390
ONC(=O)CC1=CN(C1)CCS(=O)(=O)C(C)(C)C	PC-id_141040966	276.353	FBVMKKYDPMPKSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007391
CC(=C)C(=O)CCC(C)(C)[C@H](C=C)OC(=O)C1=CCC1	PC-id_135025571	276.371	HWZPZJTXQSSJRR-HNNXBMFYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007392
C/C(=C(C=C(/C#C)F)/CC)/CC1(SC=C1)C(C=C)C	PC-id_143604801	276.412	RBRJOBQCYRULCW-BUMSEXPSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007393
CCCCCCCCCCCC=CC=CC1=CC(=O)O1	PC-id_140526474	276.414	FAETXXDAXCTLJN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007394
C1(=C(C(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_144193	276.5	PLWXREMVJPOMRV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007395
CCCCCCC1=C(CC1)CCCCCCCCC=C	PC-id_90784901	276.5	DVENFHUMUSLFRE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007396
BrCCC1CC(=C1C(=O)OC)C(=O)OC	PC-id_11065725	277.112	KXNRHEDTCWSMIK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007397
CCOC1=C(C(=O)C1=O)NCCCCP(=O)(O)O	SCHEMBL9208282,PC-id_21739324	277.211	BRQUNCFVNZGVKF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007398
CCC(CC1=CCC1)C(C)C(C)C(C)CN=C(C)CC	PC-id_155149090	277.277	XAUQSNSLJGBMOR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007399
CCC1=C(C(=C)C)C([Si]1(Cl)Cl)CC(C)(C)C	SCHEMBL8087562,PC-id_12022991	277.305	QUDADSWTYMSWAI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007400
OC(=O)[C@H](C(SSC1=C(O)C(=O)C1=O)(C)C)N	PC-id_102420457	277.317	SYKWHKKYQRUBTE-SSDOTTSWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007401
CC(N(C(C)C)N=NC1=C(C(=O)C1(C)C)C(C)(C)C)C	PC-id_122370365	279.421	BZELMYNPKCHJRI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007449
OC(=O)[C@@H](C(SSC1=C(O)C(=O)C1=O)(C)C)N	PC-id_102420458	277.317	SYKWHKKYQRUBTE-ZETCQYMHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007402
CCCC(C(=O)C(=O)C)NC(=O)CC1=CC[C@H]1CC=C	PC-id_143357254	277.359	FZUQNKXXCANBHR-PUODRLBUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007403
OC1=C(C(=O)/C/1=C(C(C(C)C)C)/C)/C(=C(/N(C)C)C)/C	PC-id_18724778	277.402	WTZNBUBVTDCBTR-XSOQQASASA-N	00001100000000000000000000000000000000000000000000000000	06-01-007404
OC1=C(C(=O)C1=C(C(C(C)C)C)C)C(=C(N(C)C)C)C	PC-id_59885197	277.402	WTZNBUBVTDCBTR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007405
CCCCCCCCCCCCCC(=O)NC1=CC=C1	PC-id_68365184,SCHEMBL12726010	277.445	HXJBETMLOWULJQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007406
O=C(N(CC)CC)C1C(=CC1=C(C)C)CCCCCC	PC-id_11357900	277.445	WHTMYOOMTNCRRO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007407
CCC(C(C(N(/C=C(C1C=CC1C)/C)C)C)C)(CC)C	SCHEMBL19594654	277.488	PRYVFFJNDZKJCI-SQFISAMPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007408
C1([C+](C(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_85519501	277.508	AWBLLLNZQNNWLX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007409
[Si]1([Si](=C)C)C(CC(C)(C)C)C(=C1C)C(=C(C)C)C	PC-id_54569866	277.572	CAXYGSNFUAHHAI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007410
C1C=C[Bi]1C=O	PC-id_141251610	278.062	JPMPODMHXCNHTJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007411
FC(COC1=C(C(=O)C1=O)OCC(F)(F)F)(F)F	PC-id_59805379,SCHEMBL14071574	278.105	QKRLSKZUKBPWIV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007412
CC(C)(CCC(=O)C1=CCC1)I	PC-id_134197443,SCHEMBL19800976	278.13	IGOOLZLAYBFJGF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007413
[Sn](Cl)(Cl)(Cl)C1CC=C1	PC-id_46919504	278.143	BSKWBXWBZIQLLZ-UHFFFAOYSA-K	00001100000000000000000000000000000000000000000000000000	06-01-007414
FC1=CC(C(O)(C(F)(F)F)C(F)(F)F)(C1)CC=C	PC-id_58854814	278.167	HYATYYQBCUKAPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007415
CCC(C[C@H]1CC(=C1I)C)(C)C	PC-id_118567475,SCHEMBL17325056	278.173	ZNUSKHTYEDUVCT-SECBINFHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007416
CCCCCCCCC1C(=CC1=O)C=COCCCC	PC-id_154287325	278.225	SBKQOPPZYIFTDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007417
CCCCCCCCCCOC=CC1=CC(=O)C1(C)C	PC-id_154276410	278.225	XNBQHCVNJCKGRC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007418
OCCSC1=C(SCCO)C(C1(F)F)(F)F	PC-id_101666763	278.287	IVQBPIHKVWKAJT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007419
CN(C1=C(C(=C1S(=O)(=O)O)[N+](=O)[O-])[N+](C)(C)C)C	PC-id_101028613	278.305	FQDBQBUEMLFXEE-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-007420
C/C=C/C1=C[C@@H]([C@H]1C(F)(F)F)/C=C(C(C)C)/SO	SCHEMBL18780204	278.334	FLOBAKLZPKLODC-XUBPFMCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007421
CCC/C=C/C(C1OC=C1CC)OCC1OC=C1CC	PC-id_145473702	278.387	HOHUKZLQWVNLCU-CMDGGOBGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007422
O(C1=C(C(=O)C1(O)C)/C=C(CCCC)/C(=C)C)C(C)C	PC-id_10636330	278.387	YXNZADJZUJKRQW-JLHYYAGUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007423
O(C1=C(C(=O)C1(O)C)/C=C(/CCCC)C(=C)C)C(C)C	PC-id_10755079	278.387	YXNZADJZUJKRQW-RAXLEYEMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007424
ClC1=C[Bi]=C1C=O	PC-id_141311015	310.491	AFJIODWWARPXTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007954
O(C1=C(C(=O)C1(O)C)C=C(CCCC)C(=C)C)C(C)C	PC-id_85214406	278.387	YXNZADJZUJKRQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007425
CCCCCCCCC#C[C@]1(O)C(=C([C@@]1(C)OC)C)C	PC-id_101660412	278.43	IVGZUFAVRCKJII-MSOLQXFVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007426
CCCCCCCCCCCCCC=CC1=CC(=O)O1	PC-id_140526477	278.43	XWWBAXBGZKJWFL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007427
CCOC(=O)C=C1CC(=C1)CC(CCCC(C)C)CC	PC-id_54364320,SCHEMBL11692646	278.43	UOSBNAOPFMYAJI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007428
O([C@@]1([C@](O)(C(=C1C)C)C#CCCCCCCCC)C)C	PC-id_10356219	278.43	IVGZUFAVRCKJII-ZWKOTPCHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007429
O(C1(C(O)(C(=C1C)C)C#CCCCCCCCC)C)C	PC-id_85120030	278.43	IVGZUFAVRCKJII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007430
O(C(=O)C(=C1CC(=C1)CC(CCCCC)CC)C)CC	PC-id_54011217	278.43	KSMLBIWLDIHPHT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007431
[Si](OC1(C(=C(C1=O)C=C)C)CC=C)(C(C)(C)C)(C)C	PC-id_10850246	278.462	PXGOMMUXSPNJAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007432
[Si](C#CC1=C([C@@H](O)[C@H]1O)C#C[Si](C)(C)C)(C)(C)C	PC-id_21638247	278.494	OEYIBUBROILYGI-OKILXGFUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007433
[Si](C#CC1=C(C(O)C1O)C#C[Si](C)(C)C)(C)(C)C	PC-id_73818542	278.494	OEYIBUBROILYGI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007434
C1(=C(CC1)CCCCCCCC)CCCCCCCC	PC-id_19806867	278.516	PLGPJEAXXBJKDU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007435
CCCCC1(CCCC)C=CC1(CCCC)CCCC	PC-id_140808116	278.516	UQVDWMYHSHUXQT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007436
I/C=C/C1=C(/C(=C/C=C)/C1)Cl	SCHEMBL12713596,PC-id_58220054	278.517	LZPGROFALSUOAT-JLVHPEPXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007437
IC=CC1=C(Cl)C(=CC=C)C1	PC-id_76706794	278.517	LZPGROFALSUOAT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007438
CCOC1=C(C(=O)C1=O)CNCCOP(=O)(O)O	PC-id_153808664	279.051	QBHMXRHUVQAXFI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007439
C1=C(C(=O)C1=O)NCC(C(C(F)(F)F)(F)F)(F)F	PC-id_91319467	279.112	VVXQSKWRDBIKLV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007440
CC(C)C1=C(C(=O)C1=O)NCCCCCC(=O)C(C)C	PC-id_164936259	279.183	FHHZLCAYAYCIEU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007441
CCN(CC)C1=C(C(=O)C1=O)CCCCCC(C)(C)C	PC-id_161794836	279.22	HADWDZRMYCRQSL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007442
FC(F)(F)C(=O)C1=C(NC(C)C(=O)OC)CC1(C)C	PC-id_71670784	279.256	WXKPXRZPEYEQEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007443
Cl[Si]1(Cl)C(CC(C)(C)C)C(=C1C)C=COC	PC-id_53752138	279.278	DBXFYHIWEPYVAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007444
Cl[Si]1(Cl)C(C(=C1[Si](C)(C)C)C(=C)C)CC	PC-id_54452977	279.353	WWFNGPZRIXFEFL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007445
CCCCCCCC(=O)CCCCCC1C=CC1N=O	PC-id_90060166	279.418	UXIPDABIHYRMPH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007446
CCCCCCCC(=O)CCCCCC1C=C[C@H]1N=O	SCHEMBL15593812	279.418	UXIPDABIHYRMPH-OMOCHNIRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007447
CCCCC1=C(C(C1=O)(C)C)N=NN(C(C)C)C(C)C	PC-id_122370367	279.421	AZZJXNRXUDYQKX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007448
C1(=C(Cl)C(Cl)(C(=O)O)C1(C(=O)O)Cl)Cl	PC-id_4182009,MCULE-3853829118	279.89	INNWMPOVQLXWJE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007450
O=C(O)[C@@]1(Cl)C(=C(Cl)[C@]1(Cl)C(=O)O)Cl	ZINC22_2518906,PC-id_92176950	279.89	INNWMPOVQLXWJE-WDSKDSINSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007451
O=C(O)[C@@]1(Cl)C(=C(Cl)[C@@]1(Cl)C(=O)O)Cl	ZINC22_6691773,PC-id_92303322	279.89	INNWMPOVQLXWJE-OLQVQODUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007452
O=C(O)[C@]1(Cl)C(=C(Cl)[C@@]1(Cl)C(=O)O)Cl	ZINC22_6691774,PC-id_92303323	279.89	INNWMPOVQLXWJE-PHDIDXHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007453
CC/C=C/C1CC(=C1)C(Br)Br	PC-id_118562785,SCHEMBL17319441	280	XKPUHPMUUXCDKQ-ONEGZZNKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007454
FC(C(I)(F)F)(C1=CCC1)F	PC-id_19917288,SCHEMBL4392760	280.002	VKTVXHGONUKVNQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007455
C(CCCC1=C(C(=O)O1)CO)CCC=CC=CC(=O)O	PC-id_153965789	280.131	WJBGCKLNKBVGCF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007456
CCCN(CC)CCCCNC1=C(C(=S)C1=O)C=C	PC-id_155281066	280.161	WDKJTLUFXKUOLB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007457
COC(=O)[C@@H]1[C@@H](C(=O)C)C(=C1C(=O)OC)C(F)(F)F	PC-id_101732216	280.197	DEPSVUXTAZZVIN-PHDIDXHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007458
CCCCCCCCN(C)CCNC1=C(C(=O)C1=O)C	PC-id_153551271	280.215	IJLSEZURIGGAJP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007459
CCCN(CCC)CCCCN(C)C1=C(C(=O)C1=O)C	PC-id_155281022	280.215	HNBHPMULTFCFCA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007460
CCCN(C)CCCCNC1=C(C(=O)C1=O)C(C)(C)C	PC-id_153438727	280.215	ZATSQVJXHUJCSM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007461
CCCN(C)CCCN(C)C1=C(C(=O)C1=O)C(C)(C)C	PC-id_153438730	280.215	BKEKAFOFTIKQKE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007462
CCN(C)CCCCN(C)C1=C(C(=O)C1=O)C(C)(C)C	PC-id_153438627	280.215	JZFBGJSYFGPEAT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007463
C/C=CC(=C(C)/C(=C(/C)C1(CC=C1)C=C)/C)C(=C/C=C)C	PC-id_153543845	280.219	QUJHBJKPNHCCHU-GCLRRGGLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007464
O(C1=C(NC(=O)/C(=C/C)/NC(=O)O)C(=O)C1=O)CC=C	PC-id_21221261	280.233	RGFWNDKIUICROH-XQRVVYSFSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007465
O(C1=C(NC(=O)C(=CC)NC(=O)O)C(=O)C1=O)CC=C	PC-id_73768283	280.233	RGFWNDKIUICROH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007466
CCCCC1=C(CC1)C(=O)OC=C(CC1CO1)C(=O)O	PC-id_87854662,SCHEMBL5556823	280.316	ZTFZQCGLLZRVDC-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007467
O(C(C)(C)C)C(=O)CN(C1=C(N)C(=O)C1=O)CC(=C)C	PC-id_10378917	280.32	DHFFBSNPSSXIRR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007468
CCCCCCC1=C(C=C)[C@@H]([C@H]1C(=O)OC)C(=O)OC	PC-id_102460660	280.359	ATJDCAWDOCBEEZ-KBPBESRZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007469
CCC(CCCCCC(=O)OC1=CCC1)(C=C)C(=O)O	PC-id_88248218,SCHEMBL8091343	280.359	PKSUUDADHHBVSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007470
O(C1=C(OC(C)C)C(=O)C1(O)C#CCCCC)C(C)C	PC-id_14140283	280.359	MKINMQWKADETSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007471
FN1C(F)C(=C1C(=O)N([Si](C(C)(C)C)(C)C)C)F	SCHEMBL9495486	280.362	SBAKACBMLFGUMS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007472
S(=O)(=O)(O)CCNC1=C(N(C)C)C(=S)C1=S	PC-id_20712489	280.387	BZEVPMWTTGZDEP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007473
CCCCCCNC1=C(NCCCCCC)C(=O)C1=O	PC-id_140147799	280.406	DVAWOVXQBXMPAE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007474
CCCN(CCCCN(C1=C(C(=O)C1=O)CC)C)CC	PC-id_139376947,SCHEMBL21231191	280.406	YEIDUJJNDQIHCE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007475
CCN(C1=C(C(=O)C1=O)N(CCCCC(C)(C)C)C)C	SCHEMBL21230975,PC-id_139376753	280.406	XMPJEJFHSRNDID-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007476
CN[C@@H](C(C)(C)C)CN(C1=C(C(=O)C1=O)C(C)(C)C)C	SCHEMBL13804495,PC-id_70997030	280.406	WYXLZHQFJDZZAB-SNVBAGLBSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007477
O=C1C(=C(N(CC(NC)C(C)(C)C)C)C1=O)C(C)(C)C	PC-id_77966509	280.406	WYXLZHQFJDZZAB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007478
O=C(NCCC(C)C)C1=C(CC1)C(=O)NCCC(C)C	PC-id_85552749	280.406	BPDUVFIKFFEHEE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007479
O=C(NC(CC)(C)C)C1=C(CC1)C(=O)NC(CC)(C)C	PC-id_85878331	280.406	KJVGAFQXQJUVDL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007480
C=C/C=C(C(=C)C/C=C(C1CC=C1C=C)/C(=CC=C)/N)/N	SCHEMBL18126115,PC-id_122599912	280.407	HDQMNCHNKXMQPG-WSDBGBLFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007481
[Si](CC#CC1(O)C(=C(CCCC)C1=O)OC)(C)(C)C	PC-id_14689913	280.435	ONVMARBGSJWZOS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007482
[Si](OC1(C(=C(C1=O)C=C(C)C)OC)CC=C)(C)(C)C	PC-id_10826633	280.435	RYEWFCRTGBQAJO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007483
OC1=C(C(=O)C1(C)C)CCCCCCCCCCCC	PC-id_71399276	280.445	WZQIOCBQQHSPLA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007484
CNC(C(C)(C)C)CN(C1=C(C(=O)C1)CC(C)(C)C)C	PC-id_143105342	280.449	FCIANBJEVDTNJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007485
CCCCO[Si](C1=CCC1)(C1=CCC1)OCCCC	PC-id_140148985	280.478	FGQVTZQVFNTBEF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007486
C[Si](C#CC1=C(CC1)O[Si](C(C)(C)C)(C)C)(C)C	PC-id_101016218	280.553	AFKPTPLWUOYTDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007487
BrC1C(Br)C(=C1Cl)Cl	PC-id_56637228	280.773	JWLMZVAJMVCRKA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007488
NCCNC1=C(C(=O)C1=O)NI	PC-id_117627336,SCHEMBL16144083	281.051	RLCUIOSADGPCSY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007489
CC(CC[N+]1([O-])C(I)C=C1C)C	SCHEMBL18993791	281.134	YYYDUMDQGNTGIW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007490
CCN(C)C1=C(C(=O)C1=S)CCCCCC(C)(C)C	PC-id_161276608	281.181	OAJQHLVVFMXUQG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007491
O(C1=C(N(CCCNC(=O)O)CC#N)C(=O)C1=O)CC	PC-id_19738177	281.265	SLERNZQPROEOSU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007492
C[Si](C)(C)C1=C([Si](C)(C)C)C(Cl)(Cl)C1=O	NSC678501,ZINC22_169837609,SCHEMBL9234369,PC-id_386475,CoCoCo_5745896	281.326	XZWMITGVWSSHQN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007493
CCCCCCCCCCCCNC1=C(O)C(=O)C1=O	PC-id_102527410	281.39	YYFOTARVQFMZIR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007494
CC(N=CC1=C(CC1)P(C(C)(C)C)C(C)(C)C)(C)C	PC-id_102448287	281.416	UIUIYEAPINWVHM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007495
C[C@H]([C@@H]1[C@H](N=C1O)CC=C=C)O[Si](C)(C)C(C)(C)C	PC-id_136783516	281.466	WOFDXTNFZYZJCR-JHJVBQTASA-N	00001100000000000000000000000000000000000000000000000000	06-01-007496
C[C@H]([C@@H]1[C@H](N=C1O)C(=C=C)C)O[Si](C)(C)C(C)(C)C	PC-id_136900346	281.466	NBTNPGPBBIRUSH-JHJVBQTASA-N	00001100000000000000000000000000000000000000000000000000	06-01-007497
[Si]1(C(C(=C1NC(C)(C)C)C)C)(C(C)(C)C)C(C)(C)C	PC-id_10755297	281.552	YBSBASKLRCGMOS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007498
CCN=C1/C(=C/N)/C(=C1I)Cl	PC-id_155207966	281.942	DZMMTRGLVOWZJL-QVUFFFHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007499
BrC1(C(Br)C(=C1)CCCC)C	PC-id_10902049	282.015	QLEZBIOBFPDEAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007500
BrC1C(=C(C1Br)C)CCCC	PC-id_85649260	282.015	CHUWIONYVCLZEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007501
CCC(CCC(C1=CCC1)I)F	SCHEMBL15314778,PC-id_89847997	282.137	IRWIITICIFUMDA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007502
CC(C)(C)CCCCN(C)C1=C(C(=O)C1=S)N(C)C	PC-id_153438663	282.177	LEXJXOKBAWKWHC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007503
CCCCCCN(C)C1=C(C(=S)C1=O)N(CC)CC	PC-id_153551295	282.177	QICNEGRUBNCGEM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007504
CCCN(CCC)CCCCNC1=C(C(=O)C1=S)C	PC-id_155281024	282.177	KHEKXDJYOWWBMG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007505
CCCN(CC)CCCCNC1=C(C(=O)C1=S)CC	PC-id_155278549	282.177	BGWFKOKXJFUXNM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007506
CCCN(CCC)CCCN(C)C1=C(C(=S)C1=O)C	PC-id_155281141	282.177	DGGDOMHMAGNMAA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007507
CCCN(C)CCCNC1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438608	282.177	GDHZMQLUBLMXMG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007508
CCNC1=C(C(=O)C1=S)N(C)CCCCC(C)(C)C	PC-id_153438661	282.177	KZDFUVKNVMXNGW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007509
CCNC1=C(C(=S)C1=O)N(C)CCCCC(C)(C)C	PC-id_153438698	282.177	HTMIPNPPKZHFCE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007510
CCN(C)C1=C(C(=S)C1=O)N(C)CCCCC(C)C	PC-id_153547986	282.177	YTMYLLYRPYWEOD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007511
CCN(CC)C1=C(C(=O)C1=S)NCCCCC(C)C	PC-id_153333335	282.177	WXIDECBCWSKKGB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007512
CCN(C)CCCCNC1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438731	282.177	NNTHPWQUGKKGHT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007513
CCN(C)CCCN(C)C1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438678	282.177	UHXUQOTXDHSSPE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007514
FC(F)(F)C(=O)OC1(C(C)C)C(=C(OC)C1=O)OC	PC-id_10636581	282.213	OQOPTNCUJAAQPH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007515
CC(C)(C)C1=C(C(=O)C1=O)N(C)CC(NC)[N+](C)(C)C	PC-id_163778566	282.218	OGWQZJVWCKAGNV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007516
CC(=O)NCC1=C(C(=O)C1=O)NCC(=O)OC(C)(C)C	PC-id_101433293	282.292	AGOIUHSTDFHAKV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007517
O(C1=C(C(=O)C1(O)/C(=C(OC(C)(C)C)/[O-])/[N+]#N)C)CC	PC-id_10708022	282.292	WJIJTFWNHTUTLA-DHZHZOJOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007518
O(C1=C(C(=O)C1(O)C(=C(OC(C)(C)C)[O-])[N+]#N)C)CC	PC-id_85240245	282.292	WJIJTFWNHTUTLA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007519
BrC1=CC(C1(F)F)(Cl)Br	PC-id_119095879	282.309	ZUAUUKNFPKHHDC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007520
ClC1=CC(C1(F)F)(Br)Br	PC-id_119095878	282.309	LMYCSBJEDQVQOT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007521
CCOC(=O)/C(=C/1C(=O)C(=C1OC(C)C)OC(C)C)/C	PC-id_102091993	282.332	PPDKJPLPXBPCOR-ZHACJKMWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007522
CCOC(=O)C1=C(C(=C1N(C)C)C(=O)OCC)N(C)C	PC-id_135083121	282.335	DNUFWVJWHITKER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007523
CCCCC1=C(O)OC1(C)CCC/C=C/C(=O)OCC	PC-id_101098527	282.375	FRALGYHEDIIRBX-DHZHZOJOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007524
CCCCC1=C(O)OC1(C)C(C/C=C/C(=O)OCC)C	PC-id_101194199	282.375	IDDCKWQAVZPDFW-DHZHZOJOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007525
CCCC(C)COC1=C(C(=O)C1=O)OCC(C)CCC	SCHEMBL11631163,PC-id_88808755	282.375	KMNZKDQVUDYYOP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007526
CCCCCCOC1=C(C(=O)C1=O)OCCCCCC	SCHEMBL9809623,PC-id_20138711	282.375	HQHOMZZVHYCREZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007527
CC(OC1=C(C(=O)C1=O)OC(CC(C)C)C)CC(C)C	PC-id_20326325,SCHEMBL11631162	282.375	IJQCOSNFXGBUEZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007528
O(C1=C(C(CCCC)(C1=O)C(=C)C)C)COCCOC	PC-id_10945923	282.375	VOWDJGZMKSEZHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007529
O(CC(CC)CC)C1=C(OCC(CC)CC)C(=O)C1=O	PC-id_71393229	282.375	BIEPFXSLRWZENG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007530
O(C(CCC)CC)C1=C(OC(CCC)CC)C(=O)C1=O	PC-id_71393230	282.375	MHKCZPRRDZHABK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007531
O(C(C(CC)C)C)C1=C(OC(C(CC)C)C)C(=O)C1=O	PC-id_71393231	282.375	QKCAMQSVBJJTKA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007532
CCCCNN(C1=C(C(=O)C1=O)OCCCC)CCC	PC-id_139842412	282.379	DBYGDAXXNWZPDC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007533
CN(C)CCCNC1=C(C(=O)C1=O)NCCCN(C)C	PC-id_90665614	282.382	WXYCUOFFXHDBBU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007534
[Si](C#CC1(OC)C(=C(OCC)C1=O)OCC)(C)(C)C	PC-id_85574301	282.408	UBDSIGBPWGDYSY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007535
CCCCCCCCCCC[C@@H](CC1=C(C(=O)O1)C)O	PC-id_67935829,SCHEMBL9825405	282.418	QZFKQEJFEWBJAN-HNNXBMFYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007536
OC(CCCCCCCCCCC)CC1=C(C(=O)O1)C	PC-id_77381794	282.418	QZFKQEJFEWBJAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007537
C/C=C(/NC1=C(C(=C)C1=C)NC1CC1)C=CC(C(=C)C)C	PC-id_143280059	282.423	VAWQENPACCJKPF-BJGRPUNPSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007538
CC(C1=CC(C1)S(=O)(=O)C1CC(=C1)C(C)(C)C)(C)C	PC-id_141264196	282.441	WVTKQYVCSXBJAO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007539
CCC1=C(CC)CC1S(=O)(=O)C1CC(=C1CC)CC	PC-id_141264197	282.441	YGFXTXYVLQFCDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007540
CCC1(CC)C=CC1S(=O)(=O)C1C=CC1(CC)CC	PC-id_141390260	282.441	YGEDJWHFOTYBMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007541
CC(CC1=CC(C1)S(=O)(=O)C1CC(=C1)CC(C)C)C	PC-id_141264199	282.441	UYCLDWUYDPTVSU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007542
CCCCC1=CC(C1)S(=O)(=O)C1CC(=C1)CCCC	PC-id_141264198	282.441	NLJHTYSSUQIXSF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007543
CCCN(CCC)CCCN(C1=C(C)C(=O)C1=S)C	SCHEMBL21230978,PC-id_139376756	282.445	UKOYLDWHJMGSIV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007544
CCCN(CCNC1=C(C(=O)C1=S)C(C)(C)C)CC	PC-id_139376929,SCHEMBL21231171	282.445	BDKVLHLQOGSMAQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007545
CCCN(CCNC1=C(C(=S)C1=O)C(C)(C)C)CC	SCHEMBL21231257,PC-id_139377003	282.445	SZBMWKJRBKMWFJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007546
CCN(CCCN(C1=C(C(=S)C1=O)C(C)(C)C)C)C	PC-id_139376799,SCHEMBL21231021	282.445	RSPYKWKNBGIXNG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007547
CN(CCCCN(C1=C(C(=O)C1=S)C(C)(C)C)C)C	PC-id_139376802,SCHEMBL21231024	282.445	GZOLKXRZVIPJDI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007548
[Si](CC(=C)C1(O)C(=C(C1=O)CCCC)OC)(C)(C)C	PC-id_14689917	282.451	XSELEKUYFXWDHT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007549
CCC1=CC(C1C)C(CC(C)C)C(CCC(C)(C)O)O	PC-id_91396802	282.461	PGLRWSRLEHPPRX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007550
C=C/C(=C/C(C(CC1=CC23C1C2C=C3)C)CC(C)(C)C)/C	PC-id_143717832	282.463	XAYKGEYXSBBQTH-GXDHUFHOSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007551
[Si](CC1CC=C1C(=O)OC)(C(C)C)(C(C)C)C(C)C	PC-id_10967995	282.494	RULRGGHZRYWMBP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007552
OC(N1CC(=C1)I)OC(C)(C)C	SCHEMBL21431401,PC-id_139554943	283.107	MJISFDMTNSQYIP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007553
CC(C)(C)CCCCCC1=C(C(=S)C1=S)N(C)C	PC-id_161375121	283.143	HGOWCVAXGHJBBJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007554
CCNC1=C(C(=S)C1=S)CCCCCC(C)(C)C	PC-id_161375122	283.143	BTROGBSEPCREJI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007555
CC1(C=C(O1)NC1CC(C1)OC(C)(C)[Si](C)(C)C)C	PC-id_163574678	283.197	GCKNZWCCLBRVGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007556
O(C1=C(C(=O)C1(O)/C(=C(OC(C)(C)C)/O)/[N+]#N)C)CC	PC-id_10708023	283.3	WJIJTFWNHTUTLA-DHZHZOJOSA-O	00001100000000000000000000000000000000000000000000000000	06-01-007557
O(C1=C(C(=O)C1(O)C(=C(OC(C)(C)C)O)[N+]#N)C)CC	PC-id_85240246	283.3	WJIJTFWNHTUTLA-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-007558
CCCCCCCNSC1CC(=C1)CCCCCC	PC-id_91470128	283.516	AJEMFUYWZLWUTD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007559
CC(C)(C)OC(=O)NCCN(C)C1=C(C(=O)C1=O)OC	PC-id_155056472	284.137	FYRNKOJVYGCBPE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007560
CC(C)CCCCN(C)C1=C(C(=S)C1=S)N(C)C	PC-id_147365661	284.138	DICNPALBKIOMHQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007561
CCCN(CCC)CCCCNC1=CC(=S)C1=S	PC-id_153333450	284.138	GSOXHVVDQKOKFB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007562
CCCN(CCC)CCCN(C)C1=CC(=S)C1=S	PC-id_153333425	284.138	NAASMUYANPRVFO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007563
CCNC1=C(C(=S)C1=S)N(C)CCCCC(C)C	PC-id_155278260	284.138	JBUUFFVDWCDVQW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007564
CCN(C)CCCNC1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438604	284.138	CAWJHPCDWYQHFH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007565
CCCN(CCC)CCOCCNC1=CC(=S)C1=O	PC-id_153547803	284.156	NZMBWOTYUIAZEV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007566
CCCN(CC)CCOCCNC1=C(C(=S)C1=O)C	PC-id_155281140	284.156	GCTHVNKBDPOYIZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007567
CCCN(C)CCOCCN(C)C1=C(C(=O)C1=S)C	PC-id_155278252	284.156	ZFUFSOVNWYXRDH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007568
CCN(CC)CCOCCN(C)C1=C(C(=S)C1=O)C	PC-id_155278338	284.156	CRSQTBHRBZXGNX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007569
CCNCCOCCNC1=C(C(=S)C1=O)C(C)(C)C	PC-id_153333307	284.156	XDRGMJKIFGXJMJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007570
CCCN(CC)CCOCCN(C)C1=C(C(C1=O)O)C	PC-id_155278331	284.21	LXSKMTSMKGRVMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007571
CC1C(C=C1C(F)(F)F)CC1C=C(C1C)C(F)(F)F	SCHEMBL20717548,PC-id_137476475	284.241	QKOWBMIXMBUWRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007572
O(C(=O)C1C(C(=C1C(=O)OC)C(=O)OCC)C(=O)C)C	PC-id_12123379	284.262	AKQFWKZLKSZJHH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007573
O(C(=O)[C@H]1[C@H](C(=C1C(=O)OC)C(=O)OCC)C(=O)C)C	PC-id_21580112	284.262	AKQFWKZLKSZJHH-SFYZADRCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007574
O(C(=O)[C@@H]1[C@H](C(=C1C(=O)OC)C(=O)OCC)C(=O)C)C	PC-id_21580113	284.262	AKQFWKZLKSZJHH-HTQZYQBOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007575
COC(=O)C(NC1=C(NC(C(=O)OC)C)C(=O)C1=O)C	PC-id_139616363	284.265	AYSKETSNFANSLY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007576
CCC([C@@H]1C=C[C@@H]1C(=O)O)(C(=O)OCC)C(=O)OCC	PC-id_135016495	284.305	GBRCTYIVEXIWEQ-VHSXEESVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007577
CCOC(=O)C1=CC(C1C)(C(=O)OCC)C(=O)OCC	PC-id_91114900	284.305	ITYUXNKPUZQQSY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007578
CCOC(=O)C1=CC([C@@H]1C)(C(=O)OCC)C(=O)OCC	PC-id_134964297	284.305	ITYUXNKPUZQQSY-SECBINFHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007579
CCOC(=O)C(C)([C@@H]1C=C[C@@H]1C(=O)OC)C(=O)OCC	PC-id_135041246	284.305	XHGPDJIMECLONE-VHSXEESVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007580
CCOC(=O)C([C@@H]1C=C[C@@]1(C)C(=O)O)(C(=O)OCC)C	PC-id_101555601	284.305	CTHQSHRVZZFUNC-NOZJJQNGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007581
N=C(C1(C)CC(=C1)NC(=O)OC(C)(C)C)OCC(=O)O	SCHEMBL16477752,PC-id_117882594	284.308	LQYOWXZRSJQZAL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007582
O(C(C)(C)C)C(=O)NCCNC1=C(OCC)C(=O)C1=O	PC-id_10613040	284.308	PWBFYBSFAHCOLM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007583
C=CCNC1=C(C(=O)C1=O)N[C@H](C(=O)OCC)CS	PC-id_101444334	284.331	YJTAWMCHLMSVJO-ZETCQYMHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007584
CCCCNC1=C(C(=O)C1=O)N(CCOC)CCOC	PC-id_142431833	284.351	DEGPFQBNGPDDTK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007585
COC(=O)C(CC1=C(C(C1)NC(=O)OC(C)(C)C)C)N	PC-id_142299539	284.351	CKKDGOIZPSQRQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007586
CCOC1=COC1C(OC(C(=O)C(C)(C)C)(CC)C)C	SCHEMBL21160153,PC-id_139314681	284.391	CONCSUVZZUSIRL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007587
O(C1C(=C(OC(C)(C)C)C1=O)OC(C)(C)C)C(C)(C)C	PC-id_13146970	284.391	GUEDHHIMHIIKMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007588
CCCC1(CC=C1)CC(CNO)NC(=O)OC(C)(C)C	PC-id_88053827,SCHEMBL6867294	284.394	CVYAAPDTXWGKPD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007589
CCN(CC1CC(=C1C(=O)N)C(=O)ON)[Si]O[Si]	PC-id_88030677	284.396	JBPUYBKSIOSYMO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007590
O=C1C(=C(C1=O)NCC[N+](C)(C)C)NCC[N+](C)(C)C	PC-id_101104807	284.398	ZZTUUVNKAFPHRY-UHFFFAOYSA-P	00000100000000000000000000000000000000000000000000000000	06-01-007591
SC(=S)NC1=C(C(=C1C#N)NC(=S)S)C#N	PC-id_86073571	284.404	XBPCOMJECWRETE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007592
[Si](OCC(C(C)(C)C)C1C(=NC1=O)OC(=O)C)(C)C	PC-id_77324128	284.404	ISYONTCGWONVAJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007593
[Si](OC[C@@H](C(C)(C)C)C1C(=NC1=O)OC(=O)C)(C)C	PC-id_67617998	284.404	ISYONTCGWONVAJ-YHMJZVADSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007594
CCCN(CCOCCN(C1=C(C)C(=S)C1=O)C)C	PC-id_139376795,SCHEMBL21231017	284.418	CMDWYJYGTKHINT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007595
C/C=CC1=CC(=C1C(C(C(/C(=C/C=C)/C)C)C)CC)CC	PC-id_142355977	284.479	PRYIWHSUMDONKB-QTLVHTGLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007596
CCCCCCN(C1=C(C(=S)C1=S)N(CC)C)C	PC-id_139376946,SCHEMBL21231190	284.484	BXTYPYVNCMDIAB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007597
CCCCCN(C1=C(C(=S)C1=S)N(CC)CC)C	PC-id_139377012,SCHEMBL21231266	284.484	WVNKEHYBCBNERX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007598
CCCN(CCCCNC1=C(C)C(=S)C1=S)CC	SCHEMBL21230924,PC-id_139376714	284.484	QBYWWXZRNPBDLT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007599
CCCN(CCCCNC1=C(C(=S)C1=S)CC)C	SCHEMBL21230911,PC-id_139376701	284.484	FETGAJRVTHMJJF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007600
CCCN(CCCN(C1=C(C)C(=S)C1=S)C)CC	SCHEMBL21230917,PC-id_139376707	284.484	QMDCWAPIOGVWRF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007601
CNC1=C(C(=S)C1=S)N(CCCCC(C)(C)C)C	SCHEMBL21231197,PC-id_139376953	284.484	LHNJZBMMCIYUIQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007602
ClC1=C(Cl)C(=C(Cl)Cl)C1=C(Cl)Cl	PC-id_625085	284.782	CRBWLZHAYSNDPR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007603
BrC1=C(C(C1)CCCC)C(=O)C(F)(F)F	PC-id_86087849	285.101	IJCRGCMPXXJTRB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007604
BrC1=C(CC1CCCC)C(=O)C(F)(F)F	PC-id_86087850	285.101	HPGQDXHUGWSCAT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007605
CC(CCC(=O)O)(C#N)SC(=S)C1=C(C=C1)P	PC-id_134423723,SCHEMBL20056989	285.322	RAYSJVCKNRAPKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007606
C1(=C(C(=O)C1=O)NCCN(C)C)NC(CC)(CO)CO	MCULE-9528420185,EMOLS-id_35783416,PC-id_53367667,STOCK7S-12057,ZINC22_101691437	285.339	HOJLCYJEGYXBBD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007607
CCCCC1=C(C(=O)C1=O)N[C@H](C(=O)OCC)CS	PC-id_101444337	285.359	OKAXPTQBWGYORV-VIFPVBQESA-N	00000100000000000000000000000000000000000000000000000000	06-01-007608
C[SiH](OC[C@@H](C(C)(C)C)C1C(=O)N=C1OC(=O)C)C	SCHEMBL8539057	285.412	JFCYYYBFNDENDD-YHMJZVADSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007609
CC1CC(=C1C(=O)N)C(=O)NNN[Si](C)(C)O[Si]	PC-id_87524800	285.427	GEDVVZAJACSCSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007610
FC1(F)C(=C(C1(F)F)P(=O)(O)O)P(=O)(O)O	PC-id_14638677,SCHEMBL8334051	286.012	ZXSGWIQMDUZFAW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007611
P(F)(OC)(OC)(OC)C1=C(F)C(F)(F)C1(F)F	PC-id_12524764	286.109	JCQBCRQDRFCDNH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007612
CC(C)(C)OC(=O)NC1CC(=C1)NOC(C)(C)C(=O)O	PC-id_151892140	286.153	SQYJLAUZPYNIOO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007613
O=C1C(=C(C1=O)SCCSC1=C(O)C(=O)C1=O)O	PC-id_101116392	286.281	QCTMIQDMWBRTFH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007614
CCCNC1=C(C(=O)C1=O)N[C@H](C(=O)OCC)CS	PC-id_101444335	286.347	WVOJEMOZDAWCOG-ZETCQYMHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007615
COCC1(CC1)S(=O)(=O)NC(=O)[C@@]1(N)C=C[C@H]1C=C	PC-id_144571068	286.347	UEJLIFHWVNMROT-BXKDBHETSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007616
S=C1C(=C(NC(C(CC)C)C(=O)OC)C1=O)N(O)C	PC-id_73035569	286.347	YNYOISQOIRVFRO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007617
S=C1C(=C(N[C@@H]([C@H](CC)C)C(=O)OC)C1=O)N(O)C	PC-id_11630607	286.347	YNYOISQOIRVFRO-BQBZGAKWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007618
IC1=C(Cl)C(F)(F)C1(F)F	PC-id_12524776	286.394	KJDJISLCMWKAQU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007619
C[Si](C)(NCC1CC(=C1C(=O)N)C(=O)ON)O[Si]	PC-id_87097792	286.412	LRQXABYCFLXXAP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007620
CC(OC1=C(OC(C)C)C(=O)C1(C)O[Si](C)(C)C)C	PC-id_14715012,SCHEMBL9126900	286.439	HPOHJAHWKGVEPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007621
CCN(CCOCCNC1=C(C)C(=S)C1=S)CC	SCHEMBL21231033,PC-id_139376811	286.457	ZMEYBRUSAGZLHK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007622
CCCN(CCC)CCCNC1=C(C(=S)C1S)C	SCHEMBL21230918,PC-id_139376708	286.5	FOIQXGGBTYXGHK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007623
CCCCCCCCCCC1=C(S)C(=S)C1=S	PC-id_59755446,SCHEMBL12432492	286.519	FAUZBMONOYRWNE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007624
C[Si](OC1=C(C(C1)C(C)(C)C)O[Si](C)(C)C)(C)C	PC-id_13124373,SCHEMBL11228256	286.558	ZECQZAPYZWLPND-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007625
[Si](OC1=C(O[Si](C)(C)C)C(C1(C)C)(C)C)(C)(C)C	PC-id_10803170	286.558	VQJJTNFPMLQSQD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007626
CC(C)(C)C1=C(C(=O)C1=O)NCC(C(C)(C)C)NCl	PC-id_88274485,SCHEMBL13611982	286.798	NPPKMLDVJGCUQD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007627
ClN[C@@H](C(C)(C)C)CNC1=C(C(=O)C1=O)C(C)(C)C	SCHEMBL8283922	286.798	NPPKMLDVJGCUQD-MRVPVSSYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007628
IC1=C(Br)C(=O)C1=O	PC-id_85582116	286.85	QERPWQPMDDFWJS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007629
[Sn](C1CC=C1)(CCCCCC)(C)C	PC-id_46919508	287.02	GEFVFMOYFASKHI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007630
CC/C=CC/C=CCCC/C=C/CCOC(=O)C1=NC=C1	PC-id_160856421	287.189	SJXNHUODLGTSGA-VRKJLTSTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007631
C/C=C(CCC1=CCC1(C)C)/C(=C/C)/NC(=C)C(C)(C)C	PC-id_155093838	287.261	FBOIVQJRIHHDKR-FJFAKMIUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007632
CSCC1(O)C(=CC1(N)C(=O)O)C(=O)C(=C)C(=O)O	PC-id_140556304	287.289	SQSITGFLYYQPSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007633
COCCOCCOCCNC1=C(C(=O)C1=O)OCC	PC-id_98106678	287.309	YGKPUDSQVMTQLU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007634
CCCC(C(=C(C)C)/C=C(C=C)/CC)NC1=CC(=O)C1=O	PC-id_143346424	287.397	UGDQKSOJFJSSKS-JLHYYAGUSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007635
CCC(C=C/C(=C(C=C)/F)/NC1=C(C(=C)C1=C)CC)CC	PC-id_143342062	287.415	BDRLERSDLZNNHA-WFCMOIQUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007636
CC(C)(C)C(CN(C)C1=C(C(=O)C1=O)N(C)C)NCl	SCHEMBL8282693,PC-id_88274329	287.786	QNKOLDIZLWBHNI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007637
ClN[C@@H](C(C)(C)C)CN(C1=C(C(=O)C1=O)N(C)C)C	SCHEMBL16350419,PC-id_117783100	287.786	QNKOLDIZLWBHNI-MRVPVSSYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007638
C1CC(=C1C(C#N)Br)C(C#N)Br	PC-id_154371698	287.89	NEMBHAFMGSMONE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007639
CCN(C)CCOCCNC1=C(C(=O)C1=S)SC	PC-id_155278545	288.097	YWYCHRSFQDPYME-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007640
FC1N(F)C(=C1F)C(=O)OC(=O)C1=C(F)C(F)N1F	PC-id_53967690	288.103	JPKDSZWHLOAKSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007641
C/C=C(/NC1=C(C(=O)C1=O)NCC(F)(F)F)C=C(C)C	PC-id_143280296	288.266	JVQWRSZWBRURJD-XBXARRHUSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007642
S(CC[C@H](NC1=C(N(O)C)C(=O)C1=O)C(=O)OC)C	PC-id_11522090	288.32	RTNAUDZXQLPXBH-LURJTMIESA-N	00000100000000000000000000000000000000000000000000000000	06-01-007643
S(CCC(NC1=C(N(O)C)C(=O)C1=O)C(=O)OC)C	PC-id_72993659	288.32	RTNAUDZXQLPXBH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007644
CCCN(C1=C(N)C(=O)C1=O)C(=C(C)C)/C=C(C=C)/CC	PC-id_143346183	288.385	XZRUKGJBIKNPED-ZRDIBKRKSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007645
CC(C)(C)OC(=O)N1CC=C1CNS(=O)C(C)(C)C	PC-id_91378516	288.406	GWCCZRKMRABOLP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007646
[SiH3]O[Si](NNNC(=O)C1=C(C(C1)C)C(=O)N)(C)C	SCHEMBL3418756	288.451	GNBGXHNABWDAAI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007647
S(C1C(=C(SCCC)C1=O)OC(C)(C)C)CCC	PC-id_12714707	288.469	QADBSILEXOPZJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007648
CCC(C)CC=C(C1CC(=C1)C(CC)CC(C)C)C(=C)C	PC-id_91103560	288.511	QFELRVBBBBXBSQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007649
CCOC1=C(C(=O)C1=O)[Sn](C)(C)C	SCHEMBL2209525,PC-id_87354000	288.907	ZAXPCKDOZBJCBH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007650
CCC/C=C/1C(=C(C1=NCC)I)C	PC-id_155208382	289.033	UJYQOJNHFFMREI-KQIXCLQISA-N	00001100000000000000000000000000000000000000000000000000	06-01-007651
CCCCOC1=C(C(=O)C1=O)NCCCS(=O)(=O)C	SCHEMBL9749443,PC-id_23051913	289.348	MAEMUXCFFCVQKM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007652
CCOP(=O)(C1=C(CC1)N(C(C)C)C(C)C)OCC	PC-id_145997511	289.351	CVHLPAKGXBQURF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007653
C/C=C/C/C=CCCCCCCCCC1=CN=C1C(=O)O	SCHEMBL19279539	289.412	NYMUAFRRBHYPFD-OHAITUNLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007654
CCCCCCCCC=CC=CC=CN1CC=C1C(=O)O	SCHEMBL19279523	289.412	NVZFPWHIBUORNS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007655
NOC(=O)C1=C(C(C1)CN[Si](O[SiH3])(C)C)C(=O)N	SCHEMBL368896	289.436	QCLOWCWMQVYCDS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007656
[SiH3]O[SiH2]N(CC1CC(=C1C(=O)N)C(=O)ON)CC	SCHEMBL6699613	289.436	MFDFXFJAVQKYRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007657
CCOC(=O)C(C1(O)C(=O)C(=C1N(CC)CC)Cl)C	PC-id_101639145	289.755	ARKXQEPYUAPENW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007658
C1(=C(C(C1(F)F)(F)F)F)OC(C(=C(F)F)F)(F)F	PC-id_87577866,SCHEMBL3804931	290.058	UKTHDVUZOAPIHE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007659
CCOC1=C(CC1(F)F)C#CC2=C(C(C2)(F)F)OCC	PC-id_154160788	290.093	MHHBYPJTGJTFKS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007660
CC(C)CC(C1=C(CC1)C(=O)C=C)C(C)(C(F)(F)F)O	PC-id_163883853	290.149	OQJSGYYYNADGLO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007661
BrCCCNC1=C(C(=O)C1=O)OCC(C)C	PC-id_15078775,SCHEMBL9750178	290.154	BHKFGQPSAJDECE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007662
BrCCCNC1=C(C(=O)C1=O)OCCCC	SCHEMBL9749261,PC-id_15078767	290.154	RLSQIOZFIPIWAP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007663
IC/C=C/C1CC=C1C(CC)(C)C	SCHEMBL19228771	290.184	IPIXKXOJWFMWKO-AATRIKPKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007664
CCC(C)OP(=O)(CCNCC1=C(C(=O)C1=O)N)O	PC-id_88427621,SCHEMBL9203710	290.253	COVQIGSEJAPWMV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007665
CCOP(=O)(CCN(C1=C(N)C(=O)C1=O)C)OCC	SCHEMBL9203698,PC-id_11778943	290.253	GUYPJCGWRHPKJD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007666
CCOP(=O)(OCC)CCNCC1=C(N)C(=O)C1=O	SCHEMBL9203706,PC-id_57010612	290.253	KVVLFCVHHUEQOS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007667
P(=O)(OCC)(OCC)CCCNC1=C(N)C(=O)C1=O	PC-id_10039833	290.253	GZULATSBVNPRNY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007668
O(C1(C(=C(OC)C1=O)OC)C#CCCC#CCCCC)C	PC-id_15004554	290.354	MGDAEJVTCJVPOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007669
CCCCC1=C(CC1)C(=O)OC(=O)C1=C(CC1)CCCC	PC-id_87195834	290.397	GQWPUDWOKVXJEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007670
[Si](OC1(C(=C(C1=O)C#CCCCC)C)CC=C)(C)(C)C	PC-id_10613493	290.473	NPEHMXMMFHGLDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007671
CCCCCCC1=C(CC1C)CCCCCCCCC=C	PC-id_91207538	290.526	IRUZXIZJHUHJHS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007672
C[Si](C)(C)OC1=C(C(=S)C1=S)O[Si](C)(C)C	PC-id_134977676	290.55	REAFUFCNKKQWHC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007673
ClC1(F)C(F)(F)C(=C1SCCC)SCCC	PC-id_86000453	290.796	NFTDPOGHCNZUMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007674
CCCCS(=N)(=NC1=C(C(=O)C1=O)Cl)CCCC	PC-id_134928845	290.809	UVYZUCCYQIGJFL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007675
BrC1=C(C(OC(=O)C)C(C)C(=O)OC)CC1	PC-id_540471	291.138	HMSFDZGTWRDWFA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007676
CCCC/C=CCCCCCCCCOC(=O)C1=NC=C1	PC-id_161171567	291.22	URGBSBORUHRQJW-WAYWQWQTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007677
P(=O)(OCC)(OCC)CNC1=C(OCC)C(=O)C1=O	PC-id_10446982	291.237	GYKQZDIGEPGFMO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007678
OC[C@H]([C@H]([C@@H]([C@H](CNC1=C(C(=O)C1=O)OC)O)O)O)O	PC-id_102087323	291.255	ACMJDVMXVMWBDG-LRSZDJBLSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007679
CSC(C(N(C1=C(P)C(=O)C1=O)P)(C)C)(C)C	PC-id_143356391	291.287	HVXWECYFBZJMCK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007680
CC(C)(C)C1=C([C@]([C@@H]1Cl)(C(C)(C)C)Cl)C(C)(C)C	PC-id_134888319	291.3	GDIPHCYSTDHCNH-WBMJQRKESA-N	00001100000000000000000000000000000000000000000000000000	06-01-007681
COP(=S)(OCCCCCCN)OCC1=CC=C1	PC-id_90848711	291.347	QBGUZEOCOGVAHB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007682
CCCC/C=CCCCCCCCCC1=CN=C1C(=O)O	SCHEMBL19279625	291.428	FRCIASGSNBGTNY-WAYWQWQTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007683
CCC(CC1=C(CC1)C(=O)C(C1CN(C1)C(C)C)(C)C)C	SCHEMBL18676779	291.471	FHJCQCGQMCRNAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007684
[Si]1([Si](=C=O)C)C(CC(C)(C)C)C(=C1C)C(=C(C)C)C	PC-id_54278269	291.556	OFSQVSOCAJLKCU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007685
BrC1=C(CCC2=C(Br)CC2)CC1	PC-id_85671864	292.01	DOIZUIITAMNWKC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007686
OC(C1=C(C(C1F)NS(=O)(=O)C)F)Br	PC-id_139386461	292.098	JNJLLLAWYZEKHQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007687
OC(C1=C(C([C@H]1F)NS(=O)(=O)C)F)Br	SCHEMBL21241591	292.098	JNJLLLAWYZEKHQ-ORLPHIGFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007688
S(=O)(=O)(OC1(F)C(F)(F)C(=C1F)F)C(F)(F)F	PC-id_10851163	292.104	BBJKYECWLVFABK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007689
FC1=CC(C(O)(C(F)(F)F)C(F)(F)F)(C1)CC(=C)C	PC-id_58854821	292.193	NEZIWLMTABQCQP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007690
CC1C=CC1CC2C=C(C2C)COC(=O)NCCN(C)C	PC-id_154955095	292.215	PTUNHSIKELRSBC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007691
C1=CC(C1=O)(C(C(=O)C(C(C(C(CO)O)O)O)O)O)O	PC-id_91803751	292.239	CVICTZQUWWZOBD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007692
[Si](OC1=CC(=O)C1(C(F)(F)F)C(F)(F)F)(C)(C)C	PC-id_12543082	292.25	PDSNQLMEMHJZHD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007693
COC(=O)C1=C(C(=O)OC)C(C1(N(C)C)N(C)C)(F)F	PC-id_100939124	292.279	RTTMOKXNVRYUBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007694
COCC(=O)OC1=C(OC)C(C1(OC)OC)(OC)OC	PC-id_12500875,SCHEMBL11520174	292.282	NYYHFMKENWGZBR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007695
CC(OC1=C(C(=O)C1=O)NCCNC1=C(C)C(=O)C1=O)C	SCHEMBL16144092,PC-id_117627340	292.287	ZMSBZAIMRUHFFU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007696
C=CCOC1=C(C(=O)/C/1=C/C(=O)OC(C)(C)C)OCC=C	PC-id_102091986	292.327	GXTSZUYGXOYMLK-KHPPLWFESA-N	00001100000000000000000000000000000000000000000000000000	06-01-007697
C=CCOC1=C(C(=O)/C/1=CC(=O)OC(C)(C)C)OCC=C	PC-id_102091997	292.327	GXTSZUYGXOYMLK-ZHACJKMWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007698
OC1(C(=C(OC)C1=O)OC)C#CCOCC#CCCCC	PC-id_10447042	292.327	HTBPVKHEBPATLC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007699
COC1=C(C(C1=O)(C#CCCC#C)O[Si](C)(C)C)OC	PC-id_134876296	292.402	BAMSSYSBHXDIJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007700
O(C1(C(=C(C1=O)/C=C(CCCC)/C(=C)C)OC(C)C)C)C	PC-id_10613614	292.413	GBZUHDJSZJHGJA-SDNWHVSQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007701
O(C1(C(=C(C1=O)/C=C(/CCCC)C(=C)C)OC(C)C)C)C	PC-id_10803599	292.413	GBZUHDJSZJHGJA-KAMYIIQDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007702
O(C1(C(=C(C1=O)C=C(CCCC)C(=C)C)OC(C)C)C)C	PC-id_85205795	292.413	GBZUHDJSZJHGJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007703
CCC1CC(=C1)N/C(=C/N)/C=NCCC(NC(=O)C)(C)C	PC-id_145517369	292.42	CWFOCQRYFYULBL-PUZYPLHJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007704
[Si](OC1(C(=C(C1=O)C#CCOC)CCC=C)C)(C)(C)C	PC-id_10613623	292.445	WVPZBGHOSXKXAV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007705
CCC(C)CCCC(CC)CC1=CC(=CC(=O)OCC)C1	PC-id_88818456,SCHEMBL11689506	292.456	FGZNBZFQDDJFDW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007706
[Si](OC1(C(=C(C1=O)C=C)C)CC(=C)C)(C(C)(C)C)(C)C	PC-id_10637423	292.489	YPAHPUXIBHBGQQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007707
CC(C1=C(C(=[Si]1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_101022069	292.575	QFNXAOXZMRGIFM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007708
[Si](C1=C(C(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)(C)C	PC-id_15099147	292.575	XBFCGAIGCRQIOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007709
COCC1(CC(=C1Cl)C(C)(C)C)P(=O)(CC)CC	PC-id_101577996	292.782	DZGYFQMDHJEDOB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007710
ClC1(C(=C(C1=O)C#CCCCC)OC)C#CCCCC	PC-id_15129431	292.8	CKTKJZXVZNZLCB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007711
ClC1(C(=C(C1=O)C#CC(CC)C)OC)C#CC(CC)C	PC-id_15129438	292.8	QJOLBFMUSKCKOE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007712
COC(=O)/C(=C/1C(=C(C1(C)C(=O)OC)CCl)Cl)/C	PC-id_101760178	293.143	CVOGVCIDDXEDKB-SOFGYWHQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007713
CO/C(=C(/C=C)C1C(=C(N1/C(=C/C=C)/C=C)C=C)C=C)/C=C	PC-id_154993422	293.178	TYXHHOHDBPSWHF-GMXJTBKTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007714
FC(F)(F)C(=O)C1=C(NC(C(C)C)C(=O)O)CC1(C)C	PC-id_71670834	293.282	DJFBLPLSSCNBIH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007715
C/C=CC(=C/C(=C)/C(=C/C=C)/C=CC)NC1=C(C)C(=O)C1=C	PC-id_143748139	293.403	JGIYVVOTIJCBOD-JBEBUSCQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007716
OC1([C+](C(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_85520884	293.507	NXVKCUYCWGALQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007717
O=C(O)C(N=C(O)C(N)C)CC(Cl)C1(O)C(=NC1)O	PC-id_21289836,CNP0264601	293.704	FJBMORPRPLWSNA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007718
ClSOCCCCCCNC1=C(C(=O)C1=O)OC	PC-id_145673723	293.767	CUJUYKDTJIDNND-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007719
C1=C(C(C1(C(F)(F)F)F)(C(F)(F)F)C(F)(F)F)F	PC-id_154967032	293.99	JQXAWHCDTJJQCZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007720
FC1=C[Bi]=C1C=O	PC-id_141280614	294.037	ONADDRNVZHNSDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007721
CCCCCCCCCCCCC1=CC(C1(F)F)(F)F	PC-id_154265618	294.197	FRRXUCVXKWFKER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007722
CC(C)C(C)CNC1=C(C(=O)C1=O)NCC(C)(C)C(C)C	PC-id_155206987	294.231	CXXUPQJKRPVPQQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007723
CCCN(CCC)CCCNC1=C(C(=O)C1=O)C(C)(C)C	PC-id_153438628	294.231	BDAWSEWPJZPPRE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007724
CCN(CC)CCCCN(C)C1=C(C(=O)C1=O)C(C)(C)C	PC-id_153438659	294.231	LZOJYXPCMQEIKA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007725
CC1=C(C(=C1C)C(=O)OCCOC(=O)C(=C)C)C(=O)OC	SCHEMBL14000081,PC-id_89222208	294.3	VZCFXQJZPGWVPO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007726
COC(=O)[C@H]1C=C[C@H]1C(CCC#C)(C(=O)OC)C(=O)OC	PC-id_135016498	294.3	HWWKISNCFXSJRE-WDEREUQCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007727
CCCCC1=C(CC1)C(=O)OC=C(CCC1CO1)C(=O)O	PC-id_87706020,SCHEMBL4641862	294.343	ZIVLNWXAYSRZJM-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007728
CCCCC(CC)CC(=CCC(=O)OC1=CCC1)C(=O)O	PC-id_87710609,SCHEMBL4665557	294.386	ZUZRRTZYUOJMPY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007729
CC(C/C(=C/1C(OC(=O)C)C=C1C(CC(C)C)(O)C)/C)C	PC-id_102207098	294.429	NGKWELVFCWEDBY-LGMDPLHJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007730
CCN(C1=C(C(=O)C1=O)N(CCCCC(C)(C)C)C)CC	SCHEMBL21231009,PC-id_139376787	294.432	XDBWCPZNWKCQHN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007731
CC(N[C@@H](C(C)(C)C)CN(C1=C(C(=O)C1=O)C(C)C)C)C	PC-id_59677747,SCHEMBL13792034	294.432	YSWGGWNVMWSYAV-GFCCVEGCSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007732
O=C1C(=C(C(C)C)C1=O)N(CC(NC(C)C)C(C)(C)C)C	PC-id_72355653	294.432	YSWGGWNVMWSYAV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007733
CC(CCCCCC1=PC=C1CCCCCC(C)C)C	SCHEMBL11521202,PC-id_54557410	294.455	ZODGHNUIPCNCJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007734
CCC(C1CC(=O)N1[Si](C(C)(C)C)(C)C)OC1=NC=C1	PC-id_70417692,SCHEMBL10676399	294.465	DPZJEKHIPIMEEQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007735
CC(CC1CC(=O)N1[Si](C(C)(C)C)(C)C)OC1=NC=C1	SCHEMBL10676404,PC-id_56977190	294.465	DOYKYTVDRXEACJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007736
O=C1CC(N1[Si](C(C)(C)C)(C)C)CCCOC1=NC=C1	SCHEMBL10676396,PC-id_21289827	294.465	OSTYHXBYCQVKLO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007737
O=C1[N+](CCCCCCCC)(CCCCCCCC)C=C1	PC-id_21304162	294.495	MEMVPAUOGSITEP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007738
ClC1(C(F)(F)C(=C1C(F)(F)F)F)C(Cl)(F)F	PC-id_23233386	294.957	YTOARQDZEIIZNF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007739
ClC1(F)C(F)(F)C(=C1C(F)(F)F)C(Cl)(F)F	PC-id_23233385	294.957	UBAAFZVTXHNDDM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007740
ClC(F)(F)C1=C(C(F)(F)C1(F)F)C(Cl)(F)F	PC-id_23233387	294.957	GOCBWXZPBZWHEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007741
ClCCCCOC1=C(OCCCCCl)C(=O)C1=O	PC-id_71393219	295.159	TYULIUHQBSIJOL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007742
CCN(CC)C1=C(C(=O)C1=S)CCCCCC(C)(C)C	PC-id_161276609	295.197	JNLAKBRROFMLFC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007743
ClC1(Cl)C(=CC1=O)CCO[Si](C(C)(C)C)(C)C	PC-id_11130199	295.277	ULCOCXJIKDAWAP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007744
CCOC(=O)C([C@H]1C=C[C@H]1C(=O)O)(C(=O)OCC)CC#N	PC-id_102343436	295.288	WXBHGRVBCLCXKX-ZJUUUORDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007745
C=CCN(C1=C(C(=O)C1=O)OCC)CC(=O)OC(C)(C)C	PC-id_10424583,SCHEMBL9200053	295.331	KPFUJRJYGGCKSX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007746
CCC=C(C)C(=O)C1=C(C(=C1)OC)N(C)CC(OC)OC	PC-id_90730091	295.374	OISWNMXYLRNXPK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007747
OCC(C1=[N+](C(=C1)NC(=O)C(N(C1CC1)C)(C)C)[O-])(C)C	SCHEMBL18433637	295.377	SRGDGEJHIHGAML-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007748
CC1=C([Si](C1CC(C)(C)C)(Cl)Cl)[Si](C)(C)C	PC-id_22123672,SCHEMBL8084048	295.396	NRTRWROHGZMRMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007749
CC(C)(C)CC(C)(C)NC(=O)CCCC(=O)OC1CC=C1	PC-id_91434902	295.417	JNQMBVJCRWGLMV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007750
CCCCCCNC1=C(N(C)CCCN(C)C)C(=O)C1=O	CHEMBL4447402	295.42	SYAMBCMIPDWOQL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007751
CNN[C@@H](C(C)(C)C)CN(C1=C(C(=O)C1=O)C(C)(C)C)C	PC-id_143195885	295.42	MGYAPRQQABDEJG-SNVBAGLBSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007752
C=CNCCN/C(=CCC)/N(C(=C)NCN1CC=C1)S	PC-id_143701181	295.447	CYGKRNZXXFFUJO-VGOFMYFVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007753
CCCCCCCCCC1C=C(O1)CCCCCC(=O)N	PC-id_90135100,SCHEMBL15689665	295.46	WLDIDOWIJIJUMA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007754
NC(C(C)C)C=C=C(C(=C)C(=C)CCC(=C)C1=CC=C1C)C	PC-id_138480519,SCHEMBL20827557	295.462	WCYNZGCTMSKWOE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007755
[Se](C1=C([Se]CC)C(=O)C1=O)CC	PC-id_71383494	296.084	VYJAPSCEYCEJDE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007756
CCCN(CCC)CCCCN(C)C1=C(C(=S)C1=O)C	PC-id_155278377	296.192	UMUDHCYBVAYPHF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007757
CCCN(C)CCCCNC1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438599	296.192	PEHXCCHVDJPQLO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007758
CCCN(CC)CCCNC1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438669	296.192	PRQHLUSSDFOVHA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007759
CCCN(CC)CCCNC1=C(C(=S)C1=O)C(C)(C)C	PC-id_153438732	296.192	ODJINTDMSLEFGY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007760
CCCN(CC)CCCN(C)C1=C(C(=S)C1=O)C(C)C	PC-id_153551317	296.192	XRXXXMGHFKOXJI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007761
CCN(CC)C1=C(C(=S)C1=O)N(C)CCCCC(C)C	PC-id_155278248	296.192	PYEMALKYZHZPQJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007762
CCN(CC)CCCCNC1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438699	296.192	QZAANAZKYCNMRD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007763
CCN(CC)CCCCNC1=C(C(=S)C1=O)C(C)(C)C	PC-id_153438643	296.192	CNZRRONUMRLIGW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007764
CCN(C)CCCCN(C)C1=C(C(=S)C1=O)C(C)(C)C	PC-id_153438655	296.192	QYQOCOMRKKDRCM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007765
CCCN(C)CCOCCNC1=C(C(=O)C1=O)C(C)(C)C	PC-id_164941993	296.21	SSSRIDTXLDRKAD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007766
CCOC(=O)C([C@H]1C=C[C@H]1C(=O)O)(C(=O)OCC)CC=C	PC-id_102343438	296.316	RSGHVTJZFZZVKT-MNOVXSKESA-N	00001100000000000000000000000000000000000000000000000000	06-01-007767
N#CC(=CC1=C(C(=C1S(=O)(=O)[O-])OC)[N+](C)(C)C)C#[NH+]	PC-id_101028604	296.322	BFHSBKSQKQMVKM-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-007768
CC(OC1=C(C(=O)/C/1=C/C(=O)OC(C)(C)C)OC(C)C)C	PC-id_102091990	296.359	JZHONHVRKMXPPT-FLIBITNWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007769
O(C1=C(OC(C)C)C(=O)C1=CC(=O)OC(C)(C)C)C(C)C	PC-id_11748474	296.359	JZHONHVRKMXPPT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007770
CCCCC1=C(O)OC1(C)C(C/C=C/C(=O)OCC)CC	PC-id_101194205	296.402	FQDYASBSXZTEEX-FMIVXFBMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007771
[Si](OC1(C(=C(OC)C1=O)OC)C#CCCCC)(C)(C)C	PC-id_13460295	296.434	ZMFWAOXTBSIXSU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007772
CCCCCCCCCC1C=C(O1)CCCCCC(=O)O	SCHEMBL15689472,PC-id_90134970	296.445	PATMNWILVPBWKB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007773
CCOC(=O)CC1(O)CC(=C1)CC(CCCC(C)C)CC	SCHEMBL11690235,PC-id_21399177	296.445	YYGHQEWDQBABTE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007774
CCN(C1=C(C(=O)C1=S)N(CCCCC(C)(C)C)C)C	PC-id_139376812,SCHEMBL21231034	296.471	ARQDARRDEUACQO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007775
CC(C)OC1=C(C(C1=C)(C=C)O[Si](C)(C)C)OC(C)C	PC-id_134983130	296.477	OJGBFLDIYQIPEM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007776
CCOC(=O)/C=C
/C(=O)C(=C1[Si](C)(C)C)[Si](C)(C)C	PC-id_101701951	296.51	YCPPTYCLTZWTCD-KTKRTIGZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007777
[Si](CC1C(C=C1C(=O)OC)C)(C(C)C)(C(C)C)C(C)C	PC-id_85361950	296.52	VZJUSGDSPRFZSX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007778
[Si](C[C@H]1[C@@H](C=C1C(=O)OC)C)(C(C)C)(C(C)C)C(C)C	PC-id_11000967	296.52	VZJUSGDSPRFZSX-ZBFHGGJFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007779
CCCCCCC(CC1=CCC1)O[SiH](C(C)C)C(C)C	PC-id_102054290	296.563	SYWYVIKZTDKUFN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007780
CCN(C)C1=C(C(=S)C1=S)CCCCCC(C)(C)C	PC-id_161375123	297.158	NVTKGRCXWKBZDH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007781
S(C1=C(C(C1)(C)C)C(=O)C(F)(F)F)CC(N)C(=O)O	PC-id_71670653	297.294	AUVFJMPIXNBSBD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007782
CCCC(=O)NC(C(=O)O)CC1=C(C(=O)C1=O)OC(C)C	PC-id_101149508	297.304	IXOLTKQKAGNSHM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007783
O(C1(C(=C(C1=O)CC)CC)CN(C)C(=O)OC(C)(C)C)C	PC-id_10685428	297.39	DCHWRZGDWYPMAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007784
CCN(CC)C1=C(C(=C1C)SC)[Si](C)(C)C(C)(C)C	PC-id_134897973	297.575	BFZNWXJZOCEVMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007785
CCN(CC)C1=C(C(=S)C1(C)[Si](C)(C)C)C(C)(C)C	PC-id_134888253	297.575	VLCIEGDWIHESQD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007786
[Ge](C1=C(OCC)C(Cl)(Cl)C1=O)(C)(C)C	PC-id_12539427	297.752	XMRVRCGQKCCPGT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007787
ICCC1=C(F)C(C1(F)F)(F)F	PC-id_22445946,SCHEMBL4392758	297.992	LXZJOWHWZVBWCF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007788
CC(C)(C)C1=C(C(=S)C1=S)N(C)CCCCN(C)C	PC-id_153438728	298.154	XPJRUGQMBDAWRF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007789
CCCN(CC)CCCCNC1=C(C(=S)C1=S)CC	PC-id_155278543	298.154	FEFJZRQCXKNKNL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007790
CCN(C)C1=C(C(=S)C1=S)NCCCCCC(C)C	PC-id_155281069	298.154	BIXUVOGDDLGQHS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007791
CCN(CC)C1=C(C(=S)C1=S)NCCCCC(C)C	PC-id_153333363	298.154	JLNWCKOPPTVHLP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007792
CCN(C)CCCCNC1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438723	298.154	FPXGAXCQBKJXPT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007793
CCCN(CCC)CCOCCNC1=C(C(=O)C1=S)C	PC-id_155278547	298.171	UUECEORZVWJAMV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007794
CCCN(CC)CCOCCN(C)C1=C(C(=S)C1=O)C	PC-id_155278339	298.171	FSHLGLOJQQIUNG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007795
CCN(C)CCOCCNC1=C(C(=S)C1=O)C(C)(C)C	PC-id_153438670	298.171	HTPMTCPCZQGLQL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007796
C/C=C(/NC1=C(C(=O)C1=O)NCC(P)(F)C)C=C(C)C	PC-id_143280436	298.293	GBLQPHKPXNUTDK-WEVVVXLNSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007797
CCCCC(C1CC(=C1C(=O)OC)C(=O)OC)OC(=O)C	PC-id_100947331	298.332	SZSILQVGEHJQAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007798
O(C(C)(C)C)C(=O)NCCCNC1=C(OCC)C(=O)C1=O	PC-id_10780405	298.335	XMGGMKVJICBQID-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007799
O(C(=O)[C@@H](NC1=C(N(O)C(C)C)C(=O)C1=O)[C@H](CC)C)C	PC-id_11558454	298.335	VHJUZJXSZBPCJC-IUCAKERBSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007800
O(C(=O)C(NC1=C(N(O)C(C)C)C(=O)C1=O)C(CC)C)C	PC-id_73006665	298.335	VHJUZJXSZBPCJC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007801
CCCCOC1=C(OCC=C)C(=O)C1(OC)OCCCC	PC-id_101894413	298.375	GTHZGADLQWNKAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007802
C=CC(=O)N(C1CC=C1)C/C=C/CN(C1CC=C1)C(=O)C=C	PC-id_138569336,SCHEMBL20927217	298.379	NBBYEQCGFDSQGH-AATRIKPKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007803
[Si](CC1(OC)C(=C(C1=C)C(=O)OC)C(=O)OC)(C)(C)C	PC-id_11120076	298.407	QUBXKEMLKHCBTJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007804
CCCCCCCCCCCCSC1=C(O)C(=O)C1=O	PC-id_102420451	298.441	YNRUSEWMMCGUKE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007805
CC(C)OC1=C(C(C1=O)(C=C)O[Si](C)(C)C)OC(C)C	PC-id_134887180	298.45	KWACMCLHXINOIT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007806
CCOC1=C(OCC)C(=O)[C@]1(CC(=C)C)O[Si](C)(C)C	CoCoCo_5765128,NSC698081	298.45	NPXKTDFAPVSBIK-HNNXBMFYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007807
CCOC1=C(OCC)C(=O)[C@@]1(CC(=C)C)O[Si](C)(C)C	CoCoCo_5765129	298.45	NPXKTDFAPVSBIK-OAHLLOKOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007808
[Si](OC1(C(=C(OCC)C1=O)OCC)CC(=C)C)(C)(C)C	PC-id_394536	298.45	NPXKTDFAPVSBIK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007809
[Si](OC1(C(C=C1C(=O)OCC)(C)C)C)(C(C)(C)C)(C)C	PC-id_59672159	298.493	APFLRADPWSZOFJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007810
CCCN(CCCCN(C1=C(C)C(=S)C1=S)C)CC	PC-id_139376809,SCHEMBL21231031	298.51	LULKOMXNVPNSOH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007811
CCNC1=C(C(=S)C1=S)N(CCCCC(C)(C)C)C	SCHEMBL21231270,PC-id_139377016	298.51	TVIDHBNUQXJVIW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007812
C1(C(=C(C1(F)F)OC1=C(C(C1(F)F)F)Cl)Cl)F	SCHEMBL2845405,PC-id_87444599	298.997	HKLGWJHTLNOPDA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007813
O(C1=C(NCC(=O)NCC(=O)NCC(=O)O)C(=O)C1=O)C	PC-id_71427217	299.237	NQVMPFUSFPETTO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007814
C[C@@H](/C(=CC(=C)/C(=C/C=C)/C)/C1(C=CC1(C)N)C)C(C)(C)C	PC-id_164170693	299.261	ZVBRIHBYFFLVKC-FWPNJTDZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007815
O(C(C)(C)C)C1=C(NOCC(=O)OC(C)(C)C)C(=O)C1=O	PC-id_10804084	299.32	SDINLURJWNMLSE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007816
ClC1(N(C(=C1C(C)(C)C)C(C)(C)C)C(=O)C)C(C)(C)C	PC-id_85539599	299.879	VNTYHGCLFFISDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007817
CCCN(CC)CCOCCNC1=C(C(=S)C1=S)C	PC-id_155278413	300.133	LGIZFFQRJGTUSA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007818
CCN(CC)CCOCCN(C)C1=C(C(=S)C1=S)C	PC-id_155278404	300.133	CSRLXAYZXVWRCH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007819
CC(C)C(C(=O)C(C(F)(F)F)(F)F)N1CC=C1C(=O)N	PC-id_87991922,SCHEMBL6434859	300.225	CFOCHFQPENYYAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007820
CC/C=N/N(C1C=C[C@@]1(C)[C@H](C)CCC(C)(C)C)C(F)F	PC-id_152868359	300.238	TYXHVZYLDXDXET-LLMDBRSNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007821
CCCOCCOCCOCCCNC1=C(C(=O)C1=O)N	LI_4699,DB03077,PD007406,SCHEMBL4327460,PC-id_4476954	300.3508	ZUVPNXOKAPTNLU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007822
CN(CCOCCNC1=C(C(=S)C1=S)C(C)(C)C)C	SCHEMBL21231029,PC-id_139376807	300.483	STQOUVFBHQGNJJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007823
CCCCO[Si](C1=CCC1)(OCCCC)OCCCC	PC-id_145052071	300.509	GFZOAVOBEWGAOD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007824
CCCCCCCC[Sn](=O)C1=CCC1	PC-id_140172536	301.003	NNJMYHYHJVQZPM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007825
ClCC(=O)OC1=C(Cl)C(C1(OC)OC)(OC)OC	SCHEMBL11520577	301.121	OTROFLRJCUMULB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007826
CCCCOC1=C(C(=N1)SC(C)(C)CC)CC(CO)O	PC-id_154933088	301.171	DWUJGMFHJIRSIV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007827
C=C/C(=C(/C1=C(O)C(=O)C1=O)C=C(/N)C)/C1=C(O)C(=O)C1=O	PC-id_118457604,SCHEMBL17188914	301.251	XPXFOMUSWGIYRC-RZSVFLSASA-N	00000100000000000000000000000000000000000000000000000000	06-01-007828
CCCCOC1=C(C(=O)C1=O)NC(C(OC)(OC)C)OC	PC-id_139842415	301.336	KTWVTVXWXSBBML-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007829
CCCCOC1=C(C(=O)C1=O)CCSCC(C(=O)O)N	PC-id_89960782	301.359	PMRLRMJYDCXQEO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007830
CCCCOC1=C(C(=O)C1=O)CCSC[C@@H](C(=O)O)N	SCHEMBL15462723	301.359	PMRLRMJYDCXQEO-VIFPVBQESA-N	00000100000000000000000000000000000000000000000000000000	06-01-007831
N1=C(CC1C(C1N=C(C1)C(C)C)C1N=C(C1)C(C)C)C(C)C	PC-id_58587272	301.47	WYTLMZLEIMDBGG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007832
N1C(C(C2N=C(C2)C(C)C)C2N=C(C2)C(C)C)C=C1C(C)C	PC-id_58690908	301.47	DIHYEHAWGLZMJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007833
CO[Si](C1=S(CC1)(C)(C)S(N)(C)C)(OC)OC	PC-id_141122856	301.542	RFHMZIRJKYZNLO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007834
C1(=C(C(C1(F)F)(F)F)F)OC1=C(C(C1(F)F)(F)F)F	SCHEMBL4077654,PC-id_87617924	302.069	LFUZHQKAUGRGRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007835
CCC(C)OP(=O)(CC=CCNC1=C(C(=O)C1=O)N)O	SCHEMBL9208397,PC-id_88428129	302.263	FMBNPMAEVHADPU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007836
CCOP(=O)(CC=CCNC1=C(C(=O)C1=O)N)OCC	SCHEMBL9208404,PC-id_86746394	302.263	ALBDIZITHLSSHU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007837
CCOP(=O)(C/C=C/CNC1=C(N)C(=O)C1=O)OCC	SCHEMBL9208392	302.263	ALBDIZITHLSSHU-AATRIKPKSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007838
COC(=O)C1=C(C(C1=C(OC)OC)(OC)OC)C(=O)OC	PC-id_134922065	302.277	NIJNVPOTCQHADB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007839
C1CC(=C1)C(=O)OC(=O)C1=C(CC1)C(=O)OC(=O)C1=CCC1	SCHEMBL9221318,PC-id_88429618	302.279	GROJHFLEQQHBKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007840
O=C(C1=C(C(=C1C)C)C(=O)NC(=O)C(=C)C)NC(=O)C(=C)C	PC-id_67764373,SCHEMBL9065716	302.325	WLXQYODLVTZCID-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007841
C#CCCCC(=O)OCC1=CC[C@H]1COC(=O)CCCC#C	PC-id_102456574	302.365	VYJSBNBOVJVNFN-INIZCTEOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007842
O(C1(C(=C(OC)C1=O)OC)C#CCCC#CCCCC=C)C	PC-id_15004558	302.365	AOESMKPYZFOWFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007843
P(=O)(OCC)(OCC)C1=C(CC1)CCCCCCCC	PC-id_25227703	302.389	DYMDFTHQTDYROR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007844
CCCCSC1=C(SCCCC)C(C1(F)F)(F)F	PC-id_121000655	302.395	KKYKNYTYEQMCDY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007845
ClC1=C(P(F)(OC)(OC)OC)C(F)(F)C1(F)F	PC-id_12524765	302.563	VFAVUHRBXZUIFP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007846
CC(C)OC1=C(C(=O)C1=O)[Sn](C)(C)C	PC-id_87353763,SCHEMBL2207884	302.933	PUIGKMVOSXCGHE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007847
CCCOC1=C(C(=O)C1=O)[Sn](C)(C)C	PC-id_87354080,SCHEMBL2210141	302.933	YDYUJVUSCXOCHJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007848
C=C/C(=C(/I)C)/C1(C)C=C(C1(C)N)C	SCHEMBL19383587	303.182	XYCMGMNWYMJOED-KTKRTIGZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007849
CC(NC1=C(N)C(=O)C1=O)CCS(=O)(=O)NC(C)(C)C	PC-id_139521028,SCHEMBL21394038	303.378	VSPYNBAVURLDED-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007850
CCCC[N+](C1=C([O-])C(C1=O)(F)F)(CCCC)CCCC	NSC668846,PC-id_381775,CoCoCo_5734749	303.388	KVKHJXMRJONTPQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007851
CC=CC1(C=CO1)OCCC=CC(=O)C2C(OC2(F)F)F	PC-id_150354312	304.092	GUJWTJGXYYEQHS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007852
BrCCCNC1=C(C(=O)C1=O)OCC(C)(C)C	PC-id_15078772,SCHEMBL9747876	304.18	WFDUPHCVSSKDFW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007853
[N-]=C=C(C1=C(C(=C(C#N)C#N)C1=C(C#N)C#N)C(=C=[N-])C#N)C#N	PC-id_5255994	304.225	WLIYZVJYLAQMNG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007854
CN(C)C1=C(C([C]1N(C)C)(N(C)C)Br)N(C)C	PC-id_134876144	304.25	IALXIYLDWSUMGE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007855
[Si](OC1=CC(=O)C1=C(C(F)(F)F)C(F)(F)F)(C)(C)C	PC-id_23272282	304.261	CSQGHAITYJYANM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007856
P(=O)(OCC)(OCC)CCCCNC1=C(N)C(=O)C1=O	PC-id_10447736	304.279	BICRGEIZBMYMFU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007857
CC1=C(CC1)C(=O)OC(=O)C=CC(=O)OC(=O)C1=C(CC1)C	PC-id_87899904	304.295	CKOXUQJTGHKASI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007858
O=C(OC(=O)C1=C(CC1)C)/C=CC(=O)OC(=O)C1=C(CC1)C	SCHEMBL5835823	304.295	CKOXUQJTGHKASI-FPLPWBNLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007859
CCCC[N+](CCCC)(CCCC)C1=C(O)C(F)(F)C1=O	PC-id_381776,ZINC22_1643027	304.396	KVKHJXMRJONTPQ-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-007860
S(COC(=O)C1=C(CC1CCC)C(=O)OCSC)C	PC-id_11449575	304.425	TUZXQDJALGJEPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007861
C=CC(=C)NC(C(C)(C)C)CN(C1=C(C(=O)C1=O)C(C)C)C	PC-id_143105246	304.427	OCWIPVPKURFCLE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007862
CCC(CCC=C(CC)CC)CC1=CC(=CC(=O)OCC)C1	SCHEMBL11690485,PC-id_88818609	304.467	LNWGGCNBDOXWCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007863
[Si](OC1(C(=C(C1=O)C#CCCCC)CCC=C)C)(C)(C)C	PC-id_10662327	304.499	XTDGDTUXPBESLL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007864
BrC(F)(F)C(F)(F)C1=CC(F)(F)C1(F)F	PC-id_57175570	304.963	KLPYHHOGOXQJNT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007865
CN(C1=C(C(=O)C1=O)C(F)(F)F)I	PC-id_143101430	304.993	QLLYEWUEBSBSEL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007866
CC(=O)OC[C@H]1C=C[C@H]1COC(=O)C(Br)(C)C	PC-id_102032935	305.165	KROGEYBLFSWXBL-ZJUUUORDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007867
OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)NC1=C(C(=O)C1=O)OC)O)O)O	PC-id_102087326	305.238	BIMCURDKKRWZKH-ZIYNGMLESA-N	00000100000000000000000000000000000000000000000000000000	06-01-007868
CCC(C)OP(=O)(CCNC1=C(C(=O)C1=O)OCC)O	PC-id_88427395,SCHEMBL9201721	305.264	VVRGREOJFGTFRQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007869
CCC(C)OP(=O)(CNCC1=C(C(=O)C1=O)OCC)O	PC-id_88427393,SCHEMBL9201717	305.264	HURZTMXQJHYYRB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007870
CCOC1=C(C(=O)C1=O)CNCP(=O)(OCC)OCC	SCHEMBL9201709,PC-id_88427392	305.264	RRTLAOCHITYRLM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007871
CCOC1=C(C(=O)C1=O)NCCP(=O)(OCC)OCC	PC-id_10063672,SCHEMBL9201710	305.264	DPXKALHPOMCHBL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007872
CCOC1=C(C(=O)C1=O)N(CP(=O)(OCC)OCC)C	SCHEMBL9201695	305.264	VJEPPZREKXSCLY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007873
[Ge](C1=C(OCC)C(Cl)C1=O)(CC)(CC)CC	PC-id_13256031	305.387	VFBKVEMCTMDVDS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007874
C[C@H]([C@H]1[C@@H](N=C1O)C(=C=C)C=C=C)O[Si](C)(C)C(C)(C)C	PC-id_136700351	305.487	PAPILTBHACZJPA-SNPRPXQTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007875
IC1=C(CC1)I	SCHEMBL18684965	305.883	VDWXIRYPXZXVNE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007876
IC1C(I)C=C1	PC-id_601529	305.884	YSQZJMWCXXWVEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007877
PN(C(C(C)(C)C)(C)C)C1=C(C(=O)C1=O)N(P)P	PC-id_143354989	306.218	YAWKGSSZXNAYSG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007878
C[C@@H](C(I)(C)C)[C@@H](C1(C)C=CC1C)C	SCHEMBL18519754	306.226	TUCCMMNZDWKYJN-ZUXSNHBTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007879
N=C=C(C1=C(C(=C(C#N)C#N)C1=C(C#N)C#N)C(=C=N)C#N)C#N	PC-id_5255995	306.241	LYTUZDPUZDPDBX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007880
CCOC1=C(C(C1(OC)OC)(OC)OC)OC(=O)COC	PC-id_134888080	306.309	FAEFBVPXXUJYOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007881
C/C=C(/NC1=C(C(=C)C1=C)NCC(F)(F)C)C=C(/C(=C)C)C	PC-id_143280175	306.393	MDTRZKQBVXCPNU-DUFKSJPMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007882
CCCCCCCCCCCC1=C([O-])C(C1=O)([O-])C#COC	PC-id_101107042	306.397	SHCLUBWOXJNWOF-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-007883
OC1(C(=C(OC)C1=O)OC)C=C=CCC(CCC=C(C)C)C	PC-id_85265706	306.397	WHMIMAHDJCCZMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007884
OC1(C(=C(OC)C1=O)OC)C=C=CC[C@@H](CCC=C(C)C)C	PC-id_10780988	306.397	WHMIMAHDJCCZMC-GYBJQNDWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007885
[Si](C)(C)(C)C#CC(=C=C(C)C)C1(O)C(=C(OC)C1=O)OC	PC-id_10590797	306.429	VHKMLRUKNRVMJB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007886
CCB(C1=C([Si](/C/1=C/C(C)(C)C)(C)C)[Si](C)(C)C)CC	PC-id_101250576	306.442	DUQOJNBYBRVWSC-BUHFOSPRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007887
[Si](OC1(C(=C(C1=O)C=C(C)C)C)CC=C)(C(C)(C)C)(C)C	PC-id_10590801	306.515	MECMUJQMNGIYMC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007888
BrC1=C(C(C1)(Br)Br)O	SCHEMBL9719520	306.778	SGGODDNKBYMZHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007889
CCCCCCCCCCCCC1=C(C(=N1)C(=O)[O-])N(C)C	PC-id_153755938	307.239	KQZUWVIPCVDHBF-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-007890
FC(F)(F)C(=O)C1=C(NC(CC(C)C)C(=O)O)CC1(C)C	PC-id_71670797	307.309	CTODWOGVMHCROF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007891
FC(F)(F)C(=O)C1=C(NC(C(C)C)C(=O)OC)CC1(C)C	PC-id_71670824	307.309	YQCGALNCYWJPJZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007892
C=CC1=C([Si](C1CC(C)(C)C)(Cl)Cl)[Si](C)(C)C	PC-id_11312843,SCHEMBL8159880	307.407	IFQRMKCDSSFGCO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007893
CN(C1=C(C(=O)C1=O)C(C)(C)C)C[C@H](C(C)(C)C)NN1CC1	PC-id_143142045	307.431	ZQHCDHRMOQZXLG-LLVKDONJSA-N	00100100000000000000000000000000000000000000000000000000	06-01-007894
CCCCCCCCCCCCCCC/C(=C/1C=NC1=O)/O	PC-id_136389673	307.471	SJFYMDWBNMQLDB-ZCXUNETKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007895
CCCCCCCCCCCCCCCC(=C1C=NC1=O)O	PC-id_136611137	307.471	SJFYMDWBNMQLDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007896
CCCCCCCCCCCCCCCC(=O)C1=CNC1=O	PC-id_66882769,SCHEMBL1030295	307.471	UNZVFLQMOOMPQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007897
OC1(/C(=N/C(CC(C)(C)C)(C)C)/CCCC)C(=C(C1=O)C)C	PC-id_9972506	307.471	QONZHCAWEMEEDR-HMMYKYKNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007898
CCCCCCCCC1C=C[C@H]1CCCCCCCC(=O)[O-]	PC-id_140677704	307.491	GRVXLRGPUCQSJR-MUMRKEEXSA-M	00001100000000000000000000000000000000000000000000000000	06-01-007899
C[C@H]([C@@H]1[C@H](N=C1O)C(=C=C)C1CC1)O[Si](C)(C)C(C)(C)C	PC-id_136825821	307.503	KBMHISAQLYAOGO-KCPJHIHWSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007900
CCCC(C)NC(=CC)Cc1cn([cH-]1)CC(=CSC)CC	PC-id_91044042	307.517	CALLPBQJHVSKHQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007901
[Si](OC1=C(CC1C#N)CCCC)(C(C)C)(C(C)C)C(C)C	PC-id_11426800	307.546	MPNYQNRNGWAYDL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007902
CC1(C(=C(C1(C(F)(F)F)F)F)C(F)(F)F)C(F)(F)F	PC-id_163851321	308.006	HBCMJSMCIJCWIU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007903
PC1=C[Bi]=C1C=O	PC-id_141005681	308.028	HYVMNJMUERHNEC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007904
CC[I-]C(C)NCC(C)C1=CC(C1)C	PC-id_163660834	308.088	RFDGKWFJMWHHRC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007905
[C@@H]1(C)[C@@H](C)C(=C1C(=O)C(=O)OCC)I	PC-id_53274947,MCULE-3115411022	308.113	AVULOJRQYBOMCO-PHDIDXHHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007906
IC1=C(C(C1C)C)C(=O)C(=O)OCC	PC-id_75998005	308.113	AVULOJRQYBOMCO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007907
ClC1(Cl)C(=C(CCCCCC)C1=O)N(C)C(=O)OC	PC-id_11515082	308.201	NMYVBGPSSAHYAJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007908
CCCCCCCCCCCCC1=NC(=C1N(C)C)C(=O)O	PC-id_153755939	308.246	KQZUWVIPCVDHBF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007909
C#CCCC(=O)NCCOCCNC1=C(C(=O)C1=O)OCC	EMOLS-id_192732395,MCULE-2462189277	308.33	NFSOUABNDSSPMR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007910
OC1(C(=C(CCCCCCCCCCC)C1=O)O)C#COC	PC-id_11266825	308.413	MZOPQBWSQPXHMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007911
CCCCCCCCCCC1=C(OC1=O)C(C[C@H](O)C)C=C	SCHEMBL9826094,PC-id_67936000	308.456	BTRPXGHQUXBGEK-AAFJCEBUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007912
CCCCCCCCCCCC(CC1=C(C(=O)O1)CC=C)O	PC-id_67935942,SCHEMBL9825873	308.456	JNEKYULTWVQENX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007913
O1C(=C(CCCCCCCCCC)C1=O)C(CC(O)C)C=C	PC-id_77381815	308.456	BTRPXGHQUXBGEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007914
O1C(=C(CCCCCCCCCC)C1=O)CC(O)CCC=C	PC-id_57125416	308.456	MTLXSYRPCGNDCA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007915
CC(N[C@@H](C(C)(C)C)CN(C1=C(C(=O)C1=O)C(C)(C)C)C)C	PC-id_59677669,SCHEMBL13791866	308.459	FUDDJBLIFOZZSH-GFCCVEGCSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007916
O=C1C(=C(C(C)(C)C)C1=O)N(CC(NC(C)C)C(C)(C)C)C	PC-id_72355581	308.459	FUDDJBLIFOZZSH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007917
CCCCCCCCC1C=CC1CCCCCCCC(=O)O	PC-id_72550986,SCHEMBL15537659	308.499	GRVXLRGPUCQSJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007918
CCCCCCCCC1C=C[C@H]1CCCCCCCC(=O)O	SCHEMBL16842694,PC-id_118179887	308.499	GRVXLRGPUCQSJR-MUMRKEEXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007919
CCCCCCCC[C@H]1C=C[C@H]1CCCCCCCC(=O)O	PC-id_118179918,SCHEMBL16842726	308.499	GRVXLRGPUCQSJR-RBUKOAKNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007920
O(C1=C(C(=O)C1(C)C)CCCCCCCCCCCC)CC	PC-id_71399277	308.499	LTPSAVXMSHISSU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007921
CCCC(C)NC(=CC)CC1=CN(C1)CC(=CSC)CC	PC-id_91044043	308.525	KLXXDAMJCQUXFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007922
C1C(C=[I]1)[I]=N	PC-id_163623576	308.851	HQEWDCLRQYLFPP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007923
CCC(=O)ONC1=C(C(=O)C1(C)C)I	PC-id_153833530	308.986	AWYXKMFRCMOBAQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007924
CS/C(=C(/C=C)C1C(=C(N1/C(=C/C=C)/C=C)C=C)C=C)/C=C	PC-id_154991121	309.155	AJTYGEXVYUAHCI-GMXJTBKTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007925
CCOC(=O)C([C@@H]1C=C[C@@H]1C(=O)O)(C(=O)OCC)CCC#N	PC-id_101555597	309.314	DOIPIGIWGORFCF-WDEREUQCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007926
C=CCNC(C1=C(C(=O)C1=O)OC(C)C)C(=O)OC(C)(C)C	PC-id_101369211	309.358	GASUFDUDPZAQQQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007927
O(C(C)(C)C)C(=O)CN(C1=C(OCC)C(=O)C1=O)CC(=C)C	PC-id_10040984	309.358	DKAODHZATVUKMF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007928
N#CC(=CC1=C(C(=C1[N+](C)(C)C)N(C)C)S(=O)(=O)[O-])C#[NH+]	PC-id_101028599	309.364	YVEWEMODDSIWKR-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-007929
CCCCCCCCCCCCNC1=C(OCC)C(=O)C1=O	LI_151755,NSC157454,ZINC22_104139813,CoCoCo_5493987,PC-id_291892	309.444	LIBZAEMVPINNNV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007930
CCCN(CCC)CCCNC1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438603	310.208	YSFCDRMHCJXHAC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007931
CCCN(CC)CCCCNC1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438612	310.208	DZBNJUGGKJXJRI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007932
CCCN(CCC)CCCNC1=C(C(=S)C1=O)C(C)(C)C	PC-id_153438692	310.208	JQFVHRKGHITEMQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007933
CCCN(C)CCCCN(C)C1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438602	310.208	AXUJRGJRNMLXCV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007934
CCCN(CC)CCCN(C)C1=C(C(=S)C1=O)C(C)(C)C	PC-id_153438700	310.208	YFXPSPBWUIIBKR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007935
CCN(CC)CCCCN(C)C1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438660	310.208	DTQHLACKEKPOHK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007936
CCN(CC)CCCCN(C)C1=C(C(=S)C1=O)C(C)(C)C	PC-id_153438619	310.208	LSDDHNADHOHTHH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007937
FC(F)(F)C1=C(C(C1C(=O)OCC)C(=O)OC)C(=O)OC	PC-id_72751683	310.223	IFBWKYCZWVUHLK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007938
FC(F)(F)C1=C([C@H]([C@@H]1C(=O)OCC)C(=O)OC)C(=O)OC	PC-id_11209079	310.223	IFBWKYCZWVUHLK-VDTYLAMSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007939
CCCN(C)CCOCCN(C)C1=C(C(=O)C1=O)C(C)(C)C	PC-id_153438613	310.226	CVOPCHJTCUZDIV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007940
CCN(CC)CCOCCN(C)C1=C(C(=O)C1=O)C(C)(C)C	PC-id_153438729	310.226	WYOJIJJUDXQFHW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007941
CCCC(C1=CCC1)[C@@H](CSI)C	SCHEMBL19033474	310.238	UOVJVYCEZCBJOC-BFHBGLAWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007942
CNC(=O)C1C(C(C1C(=O)O)C(=O)NCC1CC=C1)C(=O)O	SCHEMBL20260548,PC-id_134605914	310.303	KREDALFJXQBUBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007943
O=C(NNC1=C(C)C(=O)C1=O)CCCCC(=O)NNC(=O)C	PC-id_58907712,SCHEMBL14455059	310.306	BPAXFTAYRKZGEZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007944
CCOC(=O)C(CC=C)([C@@H]1C=C[C@@H]1C(=O)OC)C(=O)OCC	PC-id_135016496	310.342	XRDPHQMHWIOOTI-NWDGAFQWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007945
O=C1C(=C(CCCC(=O)OCC)C1=O)CCCC(=O)OCC	PC-id_85673604	310.342	OFZORLVMWFYPBF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007946
CCC(OC1=C(OC(CC)CC)C(=O)/C/1=CC(=O)OC)CC	PC-id_102091991	310.385	HEKYRUKKJZXBAB-JLHYYAGUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007947
CCCCCCCCCCCCCCOC1=C(O)C(=O)C1=O	PC-id_21706063,SCHEMBL5571442	310.428	KXZGJAWOMCNTAI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007948
CCCCCCCOC1=C(C(=O)C1=O)OCCCCCCC	PC-id_13756901,SCHEMBL9809613	310.428	CTTIGNZBJOZAPK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007949
CC(C)NCCCNC1=C(C(=O)C1=O)NCCCNC(C)C	PC-id_90665616	310.435	AIDPQPMVIBDZQC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007950
CCN(CC)CCNC1=C(C(=O)C1=O)NCCN(CC)CC	PC-id_90665613	310.435	YZTLZRMMASUNFX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007951
CN(C1=C(C(=O)C1=O)N(CCCN(C)C)C)CCCN(C)C	PC-id_86293151,SCHEMBL16255556	310.435	HGZSLDYSLPQDJU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007952
CCOC(=O)CC1(O)CC(=C1)CC(CCCC(CC)C)CC	SCHEMBL11688800,PC-id_21399156	310.471	GTQSMYRLUHSCPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007953
CCN(C1=C(C(=O)C1=S)N(CCCCC(C)(C)C)C)CC	PC-id_139376818,SCHEMBL21231040	310.498	FDJOYVBETUTCQL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007955
CCN(C1=C(C(=S)C1=O)N(CCCCC(C)(C)C)C)CC	SCHEMBL21231165,PC-id_139376923	310.498	ZIQHSECSCIJLNQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007956
CC(OC1=C(C(=C)C1=O)O[Si](C(C)C)(C(C)C)C(C)C)C	PC-id_101196671	310.504	SBQXPYGITGDMHD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007957
CCCC/C=C(C(=C(/C=C)CC)CCCC1=C(C)C(=C)C1=C)/C	PC-id_143343392	310.516	BHTAAYHOYVPMPB-COVHOIMISA-N	00001100000000000000000000000000000000000000000000000000	06-01-007958
[Si](OC1=C(C(=O)C1)CCCCC)(C(C)C)(C(C)C)C(C)C	PC-id_14060252	310.547	ONGVVDDCVZSDBP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007959
CCN(CC)C1=C(C(=S)C1=S)CCCCCC(C)(C)C	PC-id_161375124	311.174	BSBLNIQYQVFMLO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007960
O=C([C@@]1(N)C=CC1C=C(Cl)Cl)NS(=O)(=O)C1CC1	PC-id_145379267	311.185	YLWYBAYJGKDYDD-PHUNFMHTSA-N	00101100000000000000000000000000000000000000000000000000	06-01-007961
O=C(NNC1=C([O-])C(=O)C1=O)CCCCC(=O)NNC(=O)C	PC-id_59718466	311.271	XJFKLWLZZRCYDQ-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-007962
C=NC(=O)CCOCCOCCNC(=O)CCNC1CC=C1	SCHEMBL16485175,PC-id_117888665	311.377	QCKWFZXQCPLBKZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007963
CC[C@@H](N(C(C(=O)NC1=CC(=[N+]1[O-])C(CO)(C)C)(C)C)C)C	SCHEMBL18433738	311.42	NFRTYKIBAZHXHC-NSHDSACASA-N	00001100000000000000000000000000000000000000000000000000	06-01-007964
CO/C=C/C(=O)CC1NC=C1[C@H](O[Si](C(C)(C)C)(C)C)C	PC-id_139700370	311.492	BARSYDLJNZYEBI-FKQQHLPDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007965
NCCCCCCCCCCCCCCCCC1SC=C1	PC-id_139886983	311.569	NQWMDXWCRDMYDJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007966
CCCC(=O)N(/C(=C/C(=N)Cl)/NC)CC1=C(C)CC1(C)C	PC-id_145669537	311.85	YLYLVAOKXGFJPN-ZNHNDQGZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007967
C1(=C(C(C1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)F)F)F	PC-id_154989602	311.981	HLCIUYVUQXZZCQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007968
C1(=C(C(C1(F)F)(C(F)(F)F)C(F)(F)F)F)C(F)(F)F	PC-id_154989597	311.981	SAOBCMCQBDCCRT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007969
C1(=C(C(C1(F)F)(F)F)F)C(C(C(F)(F)F)(F)F)(F)F	PC-id_91695309	312.056	QEVLIVKADPDMKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007970
FC1(C(F)(F)C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_12708034	312.056	NSQFALRFEYQFJL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007971
FC1(F)C(C(=C1F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	PC-id_23236411	312.056	SOJPCVJQUUGZLY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007972
CCCCCCCCN(C)CCN(C)C1=CC(=S)C1=S	PC-id_153551338	312.169	HAVWYSGGBXNIQZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007973
CCCN(CCC)CCCCN(C)C1=C(C(=S)C1=S)C	PC-id_155278412	312.169	QJLMDYAOUUHCGR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007974
CCCN(C)CCCCNC1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438719	312.169	XAMPACUSWVCRLC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007975
CCCN(CC)CCCNC1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438733	312.169	QKYVFTNUZIOOLD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007976
CCCN(CC)CCN(C)C1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438623	312.169	CXFSDECIAZPWAW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007977
CCN(CC)C1=C(C(=S)C1=S)N(C)CCCCC(C)C	PC-id_153551459	312.169	OGNIFZJDXZJTAF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007978
CCN(CC)CCCCNC1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438725	312.169	LNYKXGDZTMKLBH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007979
CCN(CC)CCCN(C)C1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438665	312.169	XUMPGMRFJVSRJT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007980
CCCN(CCC)CCOCCN(C)C1=C(C(=S)C1=O)C	PC-id_155278345	312.187	QJEFNQUDQKJWHE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007981
CCCN(C)CCOCCN(C)C1=C(C(=S)C1=O)C(C)C	PC-id_155281137	312.187	IMCXCLZOZXRIQZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007982
CC(C)CCCNC1=C(C(=O)C1=O)N(CCOC)CCOC	PC-id_165159910	312.205	ZPTCOGKKLGUZEY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007983
O=C(NNC1=C(O)C(=O)C1=O)CCCCC(=O)NNC(=O)C	SCHEMBL14174467,PC-id_58907707	312.279	XJFKLWLZZRCYDQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007984
C/C=C(/NC1=C(C(=C)C1=C)NCC(F)(F)F)C=C(/C(=C)C)O	PC-id_143280448	312.33	HKTRDGBNTQXTJK-PWHKKFIBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007985
C/C=C(/NC1=C(C(=O)C1=C)NCC(F)(F)F)C=C(/C(=C)C)C	PC-id_143280424	312.33	VSGNGIHRSZWICC-QNNOERFZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007986
CCCCC([C@@H]1C=C[C@H]1C(=O)O)(C(=O)OCC)C(=O)OCC	PC-id_101555603	312.358	QZXRERDCZBKIET-VXGBXAGGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007987
CCCCC([C@H]1C=C[C@H]1C(=O)O)(C(=O)OCC)C(=O)OCC	PC-id_102343435	312.358	QZXRERDCZBKIET-NEPJUHHUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007988
CCOC1=C(C(=O)C1)N/C=C(/S/C(=C/O)/C(=O)N(C)C)C	PC-id_142180341	312.385	WUTPFSGVRUAHDL-BRVZEXMBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007989
CCCC1(CC=C1)CC(CNC(=O)O)NC(=O)OC(C)(C)C	SCHEMBL6868270,PC-id_88053896	312.405	XIDQURHDNYFUNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007990
CC(C)(C)OCC(=O)NC1CC(=C1)NC(=O)COC(C)(C)C	SCHEMBL20631303,PC-id_137399651	312.405	JKZNPXIKBXWRAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007991
CC(C)(C)OCC(=O)N[C@H]1CC(=C1)NC(=O)COC(C)(C)C	SCHEMBL20631284,PC-id_137399632	312.405	JKZNPXIKBXWRAR-LLVKDONJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007992
O(C(=O)NCC1C(C=C1)CNC(=O)OC(C)(C)C)C(C)(C)C	PC-id_85317683	312.405	ALAZLUDCUBFDAD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007993
O(C(=O)NC[C@@H]1[C@@H](C=C1)CNC(=O)OC(C)(C)C)C(C)(C)C	PC-id_10925007	312.405	ALAZLUDCUBFDAD-TXEJJXNPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007994
C#CC=C1C(=C(C1=C)NCC/C(=C(/CC)F)/C=C(C=C)/CN)C	PC-id_143346610	312.424	ZMNFLRIIGIRUBZ-JJKSXSQYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007995
CCCCCCC1(O)C(=O)C(=C1OCCCC)OCCCC	PC-id_22910855,SCHEMBL8640698	312.444	PKDJXFWORMFYIY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-007996
O=C1C(=C(C1=O)NCCC[N+](C)(C)C)NCCC[N+](C)(C)C	PC-id_101729548	312.451	MZZWXJHOBIIJSP-UHFFFAOYSA-P	00000100000000000000000000000000000000000000000000000000	06-01-007997
CCCN(CCOCCN(C1=C(C)C(=O)C1=S)C)CCC	SCHEMBL21231039,PC-id_139376817	312.471	INDLFCNTMILYQS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007998
CCC(C1=C(CC1)OP(=O)(OC1=C(CC1)C(CC)C)O)C	PC-id_87344199,SCHEMBL2149913	314.357	UOWIBFAXIOZGSM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008021
CCCN(CCOCCNC1=C(C(=O)C1=S)C(C)(C)C)C	PC-id_139376784,SCHEMBL21231006	312.471	MBAFEXYCLQWAFC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-007999
COC1=C(C(C1=O)(C#C[Si](C)(C)C)O[Si](C)(C)C)OC	PC-id_134876569	312.509	KEYDRRHNEURHKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008000
CC[N+](=C1C(=C(C1(C)[Si](C)(C)C)SC)C(C)(C)C)CC	PC-id_134888336	312.609	UGGBQAFFXZUGAB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008001
C[C@H](CCC[C@@H]1C=C[C@H]1C(=O)OC)OC(=O)[C@@H]1C=C[C@@H]1Cl	PC-id_134849159	312.789	OPFVHAPUDHPXQV-KSTCHIGDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008002
C
C=C/C1=C/OCC(=O)/C(=C/O)/OCC(COCCCN)O	PC-id_163969926	313.153	SPCXJJKBCMOVGD-PXPDEQQJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008003
CCC1CC(=C1CC)OP(=O)([O-])OC2=C(C(C2)CC)CC	PC-id_154078084	313.157	JPRNLMUENPPKBZ-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-008004
CCCC1=C(CC1C)OP(=O)([O-])OC2=C(C(C2)C)CCC	PC-id_154078080	313.157	QQEKQERLUQHGAL-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-008005
CCCCC1=C(CC1)OP(=O)([O-])OC2=C(CC2)CCCC	PC-id_154078083	313.157	QTWZAEXVUZXQGZ-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-008006
CCOC(=O)C(C)([C@@H]1C=C[C@@H]1NC(=O)OCC)C(=O)OCC	PC-id_135016499	313.346	GBTVAHPRSCCVMD-MNOVXSKESA-N	00001100000000000000000000000000000000000000000000000000	06-01-008007
CC(=N)C1=C(C(=C1)F)CNC[C@@H](CNC(=O)OC(C)(C)C)O	SCHEMBL20469240,PC-id_135302003	313.368	RLJGPAMDWIKMKU-JTQLQIEISA-N	00001100000000000000000000000000000000000000000000000000	06-01-008008
O(C1(C(=C(C1=O)C)OC(C)C)CN(C(=O)OC(C)(C)C)C)C	PC-id_10567181	313.389	ZKDMHPAIISINAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008009
CCN(CC)C1=C(C(=S)C1(C)[Si](C)(C)C)[Si](C)(C)C	PC-id_134888367	313.649	UDHUWBPJAZGEQX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008010
FC1=CC(C(O)(C(F)(F)F)C(F)(F)F)(C1)CC=C(F)F	PC-id_58854824	314.148	NZKAFMVTPMUTBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008011
CCCN(CC)CCOCCN(C)C1=C(C(=S)C1=S)C	PC-id_155278396	314.149	AITXBJQNCRJSIP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008012
CCN(CC)CCCN(C)C1=C(C(=S)C1=O)C(C)(C)S	PC-id_155278517	314.149	VMBVIZUISBMORJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008013
CCCN(CCC)CCNC1=C(C(=S)C1S)C(C)(C)C	PC-id_155278539	314.185	WWFJGLXAPFFFJV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008014
C1(=C(C(=S)C1=S)S)C(C(C(F)(F)F)(F)F)(F)F	PC-id_88927870,SCHEMBL12510913	314.267	UDPOABSMYJYIPN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008015
FC1=C(NNC(=O)CCCCC(=O)NNC(=O)C)C(=O)C1=O	SCHEMBL6128010,PC-id_58907709	314.27	HWTWHOULSHGICR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008016
O(C(=O)C1C(C(=C1C(=O)OCC)C(=O)OC)C(=O)OC)CC	PC-id_73098781	314.288	OHFBJORFBYEVET-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008017
O(C(=O)[C@H]1[C@@H](C(=C1C(=O)OCC)C(=O)OC)C(=O)OC)CC	PC-id_11781986	314.288	OHFBJORFBYEVET-APPZFPTMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008018
CCC1=C(CC1CC)OP(=O)(OC1=C(C(C1)CC)CC)O	SCHEMBL2150075,PC-id_87344269	314.357	JPRNLMUENPPKBZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008019
CCCC1=C(CC1C)OP(=O)(OC1=C(C(C1)C)CCC)O	PC-id_87344201,SCHEMBL2149916	314.357	QQEKQERLUQHGAL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008020
CCCCC1=C(CC1)OP(=O)(OC1=C(CC1)CCCC)O	SCHEMBL2150180,PC-id_87344307	314.357	QTWZAEXVUZXQGZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008022
CCCCOC1=C(OC)C(=O)C1(OCCCC)OCCCC	PC-id_12500891,SCHEMBL11523465	314.417	NQYXZADCPAWSIZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008023
CCCCCCCCCCCCC1=C(S)C(=S)C1=S	SCHEMBL12432496,PC-id_59755481	314.573	SPAGWZLOSSOLEN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008024
CC[Si](OC1=C(CC1)O[Si](CC)(CC)CC)(CC)CC	PC-id_142667564	314.611	WJVJTWSSFQVAIT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008025
CC([Si](O[C@@H]1C=C[C@@H]1O[Si](C(C)(C)C)(C)C)(C)C)(C)C	PC-id_101480393	314.611	GERFJGLILJGORP-OKILXGFUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008026
O=C(C1=NC=C1)O[Al](OC(=O)C1=NC=C1)OC(=O)C1=NC=C1	PC-id_142770200	315.174	NXIXFPIROIVQIV-UHFFFAOYSA-K	00001100000000000000000000000000000000000000000000000000	06-01-008027
O(CCCNC1=C(N)C(=O)C1=O)CCOCCOCCCN	PC-id_11987729	315.365	LNIYAXKSDVGYBQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008028
C1(=C(C(=O)C1=O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	SCHEMBL12510700,PC-id_88927792	316.077	FTIOZTARBRGBNF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008029
CCCN(C)CCOCCN(C)C1=C(C(=S)C1=O)SC	PC-id_155278343	316.128	KNQATIDJCVRLOJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008030
C/C=CC=C(/C(=C)NN)C(C1=CCC1)I	SCHEMBL19117803	316.181	HTFBKQGHRJZJTQ-PRTWDDKSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008031
C/C=C(/NC1=C(C(=O)C1=O)NCC(F)(F)F)C=C(/C(=C)C)O	PC-id_143280473	316.276	VLHYYZHIEJPNOA-KBXRYBNXSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008032
O(C1(OCC)C(OCC)(OCC)C(=C1C)OC(=O)CC)CC	PC-id_12466036	316.39	ILDOSYCFYXTIFH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008033
COC1(O[Si](C(C)(C)C)(C)C)C(=CC1(OC)OC)C(=O)C	PC-id_102042053	316.465	FJVOXEJPJDQGJZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008034
COCOCCCCC1(OC(=C1C)O)[Si](C(C)(C)C)(C)C	PC-id_102509972	316.508	QVTGAXZXOFFLOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008035
CCCCCCCCCCCCC1=C(C(C1=S)S)S	PC-id_89327979	316.589	UKKSMNZCPHASMU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008036
CCCCCCCCCCCCC1=C(S)[C@H](C1=S)S	SCHEMBL14401544	316.589	UKKSMNZCPHASMU-MRXNPFEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008037
ClC1=C([Si](C)(C)C)B(C1([Si](C)(C)C)[Si](C)(C)C)C	PC-id_85986311	316.898	MPQDCMGNSBNBTQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008038
CCCCOC1=C(C(=O)C1=O)[Sn](C)(C)C	PC-id_87359061,SCHEMBL2238969	316.96	ZURJYCSAUMXPIK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008039
CC(C)(C)OC1=C(C(=O)C1=O)[Sn](C)(C)C	SCHEMBL2241517,PC-id_87359402	316.96	CGNBNBDKDAYHEQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008040
CC[Sn](CC)(CC)C1=C(C(=O)C1=O)OC	PC-id_87354377,SCHEMBL2212077	316.96	ZGTKTQVALOSPIO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008041
NC(=O)C=CC1=[Bi]C=C1	PC-id_142766071	317.098	GWISBJHZYBZFNZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008042
CC(CCOC)CC(C1CC=C1Br)C1(CO1)C=O	PC-id_89230216	317.219	XPKRNCOFYVAYQA-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008043
COCCC(CC([C@]1(C=O)CO1)C1CC=C1Br)C	SCHEMBL14041554	317.219	XPKRNCOFYVAYQA-ZGGKBRPKSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008044
CCCCCCCCC1C=C[C@H]1CCCCCCCC(=O)OC	SCHEMBL16842719,PC-id_118179911	322.525	LJTLNERINAGPDX-GFOWMXPYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008089
C([C@H](C(=O)N)N)SC1=C(C(=O)C1=O)SC[C@@H](C(=O)N)N	PC-id_165150135	318.046	WQCUEPGFAIWIFY-ZXZARUISSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008045
C/C(=C/I)/CC(C=C)OC(=O)C1=CCC1	PC-id_101493986	318.151	GAAXQSJMWINFNL-HJWRWDBZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008046
P(=O)(OCC)(OCC)CCCC1=C(OC(C)C)C(=O)C1=O	PC-id_10914130	318.303	HUFUKASNYBAOAG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008047
CCOC(=O)CSC1=C(SCC(=O)OCC)C(=O)C1=O	PC-id_33573804,SPECS-id_AT-819/OC14185,EMOLS-id_43362460,MDPI-id_101798,ZINC22_26330891	318.366	QWDOATMUBSJNBD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008048
CC(=CCC/C(=C/C(C(=O)C1=C(C(O1)CC=C(C)C)C)O)/C)C	PC-id_141017065	318.45	NGBMWEWJAZBACZ-NTCAYCPXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008049
OC/C(=C(CCC=C(C)C)/C)/C(=O)C1=C(C(O1)CC=C(C)C)C	PC-id_141017064	318.45	WYHJHMPLCYNIES-BMRADRMJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008050
CO[C@@]1(O[Si](C(C)(C)C)(C)C)C(=CC1(OC)OC)[C@@H](O)C	7111752_OpenMolecule,PC-id_139184179	318.481	FVRFQLNDDGDUNM-XHDPSFHLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008051
C[Si](O[Si]1(CC=C1[Si](C)(C)C)O[Si](C)(C)C)(C)C	PC-id_139845834	318.707	OMAOOYMHHUDGTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008052
CCC(C)OP(=O)(CCNCC1=C(C(=O)C1=O)OCC)O	SCHEMBL9205494,PC-id_88427839	319.291	AESXLDXEHWPETI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008053
CCOC1=C(C(=O)C1=O)CNCCP(=O)(OCC)OCC	SCHEMBL9205491,PC-id_57169422	319.291	OGKXBHGZDAPOKD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008054
CCOC1=C(C(=O)C1=O)NCCCP(=O)(OCC)OCC	SCHEMBL9203171,PC-id_10471184	319.291	NHMBCTRHEQQAKO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008055
CCOC1=C(C(=O)C1=O)N(CCP(=O)(OCC)OCC)C	PC-id_10448625,SCHEMBL9205483	319.291	SWQDJSNUMCTJOK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008056
IC1=CCC1(C)I	SCHEMBL17715180,PC-id_121306568	319.91	FAPOHDCXLOUIAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008057
CCOP(=O)(C(C(=O)[O-])NC1=C(C(=O)C1=O)OC)OCC	PC-id_149436649	320.054	FLVZSYHJBBLCQY-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-008058
CCC(C(N(C1=C(C(=O)C1=O)N(P)P)P)(C)C)(C)C	PC-id_143362077	320.245	WPOSTHOECPDLLJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008059
[Si](C1=C(OCC)C(C1=O)(C(F)(F)F)C(F)(F)F)(C)(C)C	PC-id_13256017	320.304	FAYMZHGXIBCBQR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008060
CC([S@@](=O)NC1=C(N[S@](=O)C(C)(C)C)C(=O)C1=O)(C)C	PC-id_139095303	320.428	OEPQBLFUKXVPOK-WOJBJXKFSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008061
CC(C)(C)C1=C(NC1(C(=C=N)C(=O)OC)C(C)(C)C)C(C)(C)C	PC-id_137286441	320.47	RNBPKGDUWZSOSL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008062
CC(C)(C)C1=C([NH2+]C1(C(=C=[N-])C(=O)OC)C(C)(C)C)C(C)(C)C	PC-id_137286440	320.47	WJLCEUGKIJNGHS-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-008063
C/C=C(C=C/C(=C)N)/C(=C/C)/N=C/C(=CC(=C)C)/C1=C(C=C1C)C	PC-id_135294800	320.471	QJMIEDMFGAZQFI-JLOJFQRVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008064
C/C=C(/C(=C/C)/N=CC(=C/C(=C)C)C1=C(C)C=C1C)C=C/C(=C)N	SCHEMBL20461356	320.471	QJMIEDMFGAZQFI-RWKMPCEHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008065
CCCCCCC1=C(/C(=CCCCCC)/C1)C(=O)OC(C)(C)C	PC-id_101131817	320.509	KKFODUMSCJDNKM-VKAVYKQESA-N	00001100000000000000000000000000000000000000000000000000	06-01-008066
[Si](OC1(C(=C(C1=O)C#C[Si](C)(C)C)CCC=C)C)(C)(C)C	PC-id_10734506	320.574	QXARXSPZZWMEKM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008067
BrC1(Br)C(=C(Br)C1=O)O	SCHEMBL9418711,PC-id_11056327	320.762	BJRSCAZODRVQKJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008068
BrC1(C(O)(C=C1OC)COC(=O)CC=C)C(=O)O	PC-id_10064658	321.121	OBMORSCLKDJMBS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008069
CCOP(=O)(C(C(=O)O)NC1=C(C(=O)C1=O)OC)OCC	SCHEMBL7107324,PC-id_18669289	321.22	FLVZSYHJBBLCQY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008070
FC(F)(F)C(=O)C1=C(NC(CC(C)C)C(=O)OC)CC1(C)C	PC-id_71670808	321.335	RMDXBXDFBDKEHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008071
CCCCOCN(C(=O)C=C)C(=O)C1=C(CC1)CC(=O)OC=C	PC-id_88697349,SCHEMBL10953278	321.368	PUSQKWSEIBDBSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008072
CC(=C)C1=C([Si](C1CC(C)(C)C)(Cl)Cl)[Si](C)(C)C	SCHEMBL8081984,PC-id_11427225	321.433	FSCAVOSRHAJQSR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008073
CCCCC(CC1=C(CC(CCCC)CC)N=C1C(=O)O)CC	SCHEMBL5478773,PC-id_69456935	321.497	ZOZLUFOCAZUVDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008074
CC(CCCCCC1=C(CCCCCC(C)C)N=C1C(=O)O)C	SCHEMBL9505036,PC-id_17913828	321.497	MSJRSYSXSZNWDL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008075
CCC(C)(CC)CC(C(=C(C)C)CC1=C=C(C1SCC)C)N	PC-id_91259198	321.564	SJOJXZHBWNGWSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008076
CCC/C=C
/C(=C/CCC)/C(=C1Cl)I	PC-id_155208421	321.999	QPVWBNGYPUJXFD-XOHWUJONSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008077
CC1C(=C(N1C(C)(C)I)CCCCN)C	PC-id_163674663	322.091	JFPYXWLISSXNHE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008078
IC#CC1(O)C(=C(OCC)C1=O)OCC	PC-id_10925300	322.096	GOHINYBBKXQTHR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008079
CCC1=C(C(C1(F)F)(F)F)OC1=C(C(C1(F)F)(F)F)CC	SCHEMBL11528616,PC-id_88793976	322.194	YKDFVCYLVFPDAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008080
FC1=CC(C(OCOC)(C(F)(F)F)C(F)(F)F)(C1)CC=C	PC-id_58854815	322.219	LAYJTGPFBWKZRA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008081
CCCCC(=C)CNCCN(CCC)C(C1=CCC1)C(CN)N	PC-id_155150635	322.31	PTCQTGJDEYDUOL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008082
C=CC1=CC(N1)(C)C(=O)OCCCCOC(=O)CCN1CC1C	PC-id_117943449,SCHEMBL16556789	322.399	ZLUSNASANBBDID-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008083
CCC(CCCC(CC)(CC)O)CC1=CC(=CC(=O)OCC)C1	PC-id_88818703,SCHEMBL11691135	322.482	JKWQRGOVEYDJKV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008084
CCOC(=O)CC1(O)CC(=C1)CC(CCC=C(CC)CC)CC	PC-id_53960205,SCHEMBL11693935	322.482	JKKPEHLMCHQMQE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008085
[Si](C)(C)(C)C#CC#CC1=C(C(=O)C1=O)C#CC#C[Si](C)(C)C	PC-id_21638245	322.505	QHSZMKIYZDVTIZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008086
C=C[C@@H](OC(=O)C1=CCC1)/C=C(/CO[Si](C(C)(C)C)(C)C)C	PC-id_122217447	322.514	MECKMHXNXZZOEN-WCRPCQDQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008087
CCCCCCCCC1C=CC1CCCCCCCC(=O)OC	SCHEMBL16842682,PC-id_14463854	322.525	LJTLNERINAGPDX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008088
CCCCCCCC[C@H]1C=C[C@H]1CCCCCCCC(=O)OC	PC-id_118183083,SCHEMBL16846300	322.525	LJTLNERINAGPDX-VQTJNVASSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008090
CC(C/C=C/1C=C([Si]1(Cl)C#CC(C)(C)C)C(C)(C)C)(C)C	PC-id_101890543	322.988	QVCTXFYQIMMRKC-XNTDXEJSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008091
CCCCCCCCN(C)CCNC1=C(C(=O)C1=O)NCCC	PC-id_153551515	323.257	NNQQBTAHVMTTEP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008092
OC(=O)C1=NC=C1C(CCCCCCCCCCCC(=O)O)C	SCHEMBL3981080,PC-id_68863481	323.427	LWDXIYRIQHCFAF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008093
CCCCCCCCC(CC)NC1=C(C(=O)C1=O)OCCCC	SCHEMBL8598123,PC-id_88329250	323.47	JCEFABYQLFIUSJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008094
CCCCCCCCC(C)(C)NC1=C(C(=O)C1=O)OCCCC	SCHEMBL8599687,PC-id_88329620	323.47	WKKRDDIINZENRM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008095
CCCCCCCCNC1=C(N(C)CCCN(C)C)C(=O)C1=O	CHEMBL4475100,SCHEMBL16255535,PC-id_86293149	323.474	DOKNWLLLOZBCAR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008096
CCCCC(=C=C)[C@@H]1[C@H](C(=N1)O)[C@@H](C)O[Si](C)(C)C(C)(C)C	PC-id_136900347	323.546	UDPLZLCEFPVHOF-FVQBIDKESA-N	00001100000000000000000000000000000000000000000000000000	06-01-008097
C[C@H]([C@@H]1[C@H](N=C1O)C(=C=C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	PC-id_136825822	323.546	UDGIDMNTPTXVTF-BPLDGKMQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008098
FC(=C1C(=C(C1(F)F)F)C(C(C(F)(F)F)(F)F)(F)F)F	PC-id_140118205	324.066	ZPPQIPUQNQDLSM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008099
FC(=C1C(=C(C1(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)F	PC-id_140118143	324.066	PYWXYDBOYBRJAH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008100
FC(F)(F)C1=C(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_71442407	324.066	ULJZYMYWNWCNEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008101
FC1(C(F)(F)C(=C1C(F)(F)F)OC)C(F)(F)C(F)(F)F	PC-id_23236461	324.091	LKFVMZGBBOPFSR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008102
FC1(F)C(C(=C1OC)C(F)(F)F)(C(F)(F)F)C(F)(F)F	PC-id_23234661	324.091	OVZSKWNFOGQMMP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008103
BrC1(C(Br)C(=C1)CCCC)CCCC	PC-id_15738829	324.095	BNHRDLPLGOTKND-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008104
CCCN(CCC)CCCCN(C)C1=C(C(=S)C1=O)C(C)C	PC-id_163684892	324.224	JNZHLAODDPCSSV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008105
CCCN(CC)CCCCN(C)C1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438664	324.224	FWGIZEDOINOYPC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008106
CCCN(CCC)CCCN(C)C1=C(C(=O)C1=S)C(C)(C)C	PC-id_153438666	324.224	WJZUBUWNPNXBKL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008107
CCCN(CCC)CCCN(C)C1=C(C(=S)C1=O)C(C)(C)C	PC-id_153438647	324.224	VPSOVDXLZYVTJI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008108
CNC(=O)C1(CC(=O)O)CC(C1C(=O)O)C(=O)NCC1CC=C1	PC-id_138722147,SCHEMBL21100511	324.329	QVEJEBFNAYOWKJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008109
CCC(C1=C(C(=O)C1C(=O)CC(=O)N)N(C(=O)C(C)C)OC)C	PC-id_102302734	324.372	SJSCLCDVOOAVAA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008110
O(C1=C(C(=O)C1(O)/C(=C(OC(C)(C)C)/[O-])/[N+]#N)CCCC)CC	PC-id_10711104	324.372	RJKFZGHSQNJODG-SDNWHVSQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008111
O(C1=C(C(=O)C1(O)C(=C(OC(C)(C)C)[O-])[N+]#N)CCCC)CC	PC-id_85241185	324.372	RJKFZGHSQNJODG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008112
CCCCOC1=C(OCC=C)C(=O)C1(OCCCC)OCC=C	PC-id_101894417	324.412	ZCLRXYZPVVUXOZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008113
O(C(=O)CCCCCCCCCCCCC)C1=C(O)C(=O)C1=O	PC-id_86053454	324.412	YOXYJQXVFFGADW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008114
CCC(C(C(C(=O)C(CC(CC(C1=CC(=O)O1)C)C)C)C)O)C	PC-id_22417560,SCHEMBL7535849	324.455	ICBCXHUTEUMDDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008115
[Si](OC1=C(CC1C(=O)C)CCCC)(C(C)C)(C(C)C)C(C)C	PC-id_85983378	324.573	FSOPPMYUCKHGHE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008116
BrC1C=C(C1(Br)Br)Cl	PC-id_88669657,SCHEMBL10795595	325.224	KUXZLNUHZACEIB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008117
S(C1=C(C(C1)(C)C)C(=O)C(F)(F)F)C(C(N)C(=O)O)(C)C	PC-id_71670654	325.347	OINFIOPMVYOKCI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008118
S(CCC(NC1=C(C(C1)(C)C)C(=O)C(F)(F)F)C(=O)O)C	PC-id_71670848	325.347	VEDUZYJSNDBFLP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008119
CC[C@H](C1=C(C(=O)N1C(=O)CC(=O)N)N(C(=O)C(C)C)OC)C	UNPD106095	325.36	CRKNXGGOABZOEL-SECBINFHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008120
N(C(=O)C(C)C)(C1=C(N(C1=O)C(=O)CC(=O)N)C(C)CC)OC	CMNPD10949,PC-id_10853497,CNP0335252	325.36	CRKNXGGOABZOEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008121
O(C1=C(C(=O)C1(O)/C(=C(OC(C)(C)C)/O)/[N+]#N)CCCC)CC	PC-id_10711105	325.38	RJKFZGHSQNJODG-SDNWHVSQSA-O	00001100000000000000000000000000000000000000000000000000	06-01-008122
O(C1=C(C(=O)C1(O)C(=C(OC(C)(C)C)O)[N+]#N)CCCC)CC	PC-id_85241186	325.38	RJKFZGHSQNJODG-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-008123
CCOC1=C(C(=O)C1=O)C(C)(C(C)(C)C)NC(=O)OC(C)(C)C	PC-id_88156995,SCHEMBL7536616	325.4	WVFOQFCUZBCQJU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008124
CCOC1=C(C(=O)C1=O)N(C(C)C(C)(C)C)C(=O)OC(C)(C)C	SCHEMBL7536620,PC-id_88156996	325.4	ZXHMQADYLFFMLZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008125
C1(C(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_90475783	326.082	OKJWEBDNHJWAQQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008126
CCCN(CC)CCCCNC1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438622	326.185	NLPGIPZBRSJUEO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008127
CCCN(C)CCCCN(C)C1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438630	326.185	CECAVOKYOYVDNZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008128
CCN(CCN)C1=C(C(=O)C1=O)NCCNC(=O)OC(C)(C)C	PC-id_155056378	326.195	CNRXWZMRGDVDMA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008129
NCCCCNCCCNC(=O)C(CCC1=C(O)C(=O)C1=O)N	PC-id_101147110	326.391	UTKRPBLVODYADC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008130
CCC(C)(C)OCC(=O)NC1=CC(C1)NC(=O)COC(C)(C)C	SCHEMBL20631287,PC-id_137399635	326.431	VTSCSNXIBIJTCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008131
OCC(CNC1=C(C(=O)C1=O)NC(CC(C(C)C)(C)C)(C)C)O	PC-id_142428061	326.431	PZIDARWQCOJZFX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008132
[Si](C(=C=C(OC)C1(O)C(=C(OC)C1=O)OC)CCC)(C)(C)C	PC-id_10592256	326.46	VOJDTLGZXTWMKG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008133
O=C1C(=C(CCCC#CCCCC)C1=O)CCCC#CCCCC	PC-id_11823591	326.472	SHWNVSVXFXEPMP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008134
CCC1=NC(C1)C(C1CC(=N1)CC)(C1CC(=N1)CC)C1CC(=N1)C	SCHEMBL12893343,PC-id_58658206	326.479	WMCNDYQKFJUMAJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008135
[Si](OC1(C(=C(OC)C1=O)OC)C#CC[Si](C)(C)C)(C)(C)C	PC-id_12179767	326.536	JOLWMZLSFVODHR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008136
[Si](C)(C)(C)C#CC#CC1=C([C@H](O)[C@@H]1O)C#CC#C[Si](C)(C)C	PC-id_21638252	326.537	LBLOZWXIUCBJDB-HDICACEKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008137
[Si](C)(C)(C)C#CC#CC1=C(C(O)C1O)C#CC#C[Si](C)(C)C	PC-id_73818547	326.537	LBLOZWXIUCBJDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008138
CCOC(=O)C1=CC(C1(O[Si](C(C)(C)C)(C)C)C(C)C)(C)C	PC-id_140523836	326.546	IOYHKBDMEYCVNU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008139
C/C=C(/C1=CCC1C(C)I)Br	PC-id_134549845	327	CJLJAJPTKNDTMO-OQFOIZHKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008140
C/C=C(/C1=CC[C@H]1[C@@H](I)C)Br	SCHEMBL20197509	327	CJLJAJPTKNDTMO-SCXTUEGCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008141
CCCCCC(CCC1=CC(=C1)CC(=N)C(=C(C=C)CC)CC)C	PC-id_134396205,SCHEMBL20026909	327.547	JGWVADSVNHCNIL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008142
FC(F)(F)C1(OC(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_85905580	328.055	AZYVZTOSZVPKLE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008143
CCCN(C)CCOCCNC1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438609	328.164	BLJNAIDPTXNPBH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008144
CCN(C)CCOCCN(C)C1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438709	328.164	QLJWQKMLHXCSPP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008145
P(F)(OCC)(OCC)(OCC)C1=C(F)C(F)(F)C1(F)F	PC-id_23413182	328.188	FMVNVBWZXJZLCK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008146
O(C(C)(C)C)C(=O)NC(CNC1=C(OCC)C(=O)C1=O)C(=O)O	PC-id_85197756	328.318	HFAIBLORDKFFBU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008147
O(C(C)(C)C)C(=O)N[C@H](CNC1=C(OCC)C(=O)C1=O)C(=O)O	PC-id_10592360	328.318	HFAIBLORDKFFBU-SSDOTTSWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008148
CC/C(=N/C/C=CC(=CCC1C=CC1(C)C)CC(=C)C(C)C)/NC	SCHEMBL19884006,PC-id_134270411	328.535	QOOXWUAMNHGGGU-PZDCBAJESA-N	00001100000000000000000000000000000000000000000000000000	06-01-008149
CCCC(C1CC(C1)CCCC1=C(C=C1)C)C(CC/C(=C/C)/C)C	PC-id_143683763	328.574	SIWFWDXYFMISTG-CNHKJKLMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008150
[Si](C(C)C)(C(C)C)(C(C)C)C#CC1=C(C=C1)C#C[Si](C)(C)C	PC-id_10917651	328.639	PSIIBGPOZDFZTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008151
CC[N+](=C1C(=C(C1(C)[Si](C)(C)C)SC)[Si](C)(C)C)CC	PC-id_134887996	328.684	MYNLVWRKDNIDDX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008152
C=NC(=O)C=CC1=[Bi]C=C1	PC-id_153933047	329.025	YDWXCBFQFOWZHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008153
CCO[P+](=O)C1(C#CS1(=O)=O)P(=O)(OCC)OCC	PC-id_88027970	329.224	HMLQUYCIHWJJAG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008154
C#CCNC1=C(C(=O)C1=O)N/C(=C/C=CC(=C)C(=O)N(C)C)/CO	PC-id_142856799	329.35	GAIZOYFSQZESAW-UGLNBITBSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008155
O=C(OC(C)(C)C)NCCSC1=C(C(=O)C1=O)OC(C)(C)C	PC-id_102420450	329.412	NIUGHLPYQFLGNQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008156
CC(=CCOCCCC1=C(C(=C)C1=C)CCCOCC=C(C)C)C	PC-id_164887701	330.256	YFVNUJLVTPGLGC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008157
C/C=C(/NC1=C(C(=O)C1=O)NCC(P)(F)F)C=C(/C(=C)C)O	PC-id_143280348	330.267	BQYGPMGDHFWTJB-KBXRYBNXSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008158
O=C(O)C(N=C(O)C(N=C(O)C(N)CCC1(O)C(=NC1)O)C)C	CNP0290957	330.337	LKJTYSAERBZGJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008159
C=CC(=O)CCNC(=O)C1=C(C(=C1C)C)C(=O)NCCC(=O)C=C	PC-id_67764339,SCHEMBL9065524	330.378	YBGFNYQZRRFCCH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008160
C#CCN(C(=O)CCC)CCCCCCC1=C(C=C1)C(=O)NC=O	PC-id_142512570	330.421	DVWZBUKLWHOWBI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008161
C/C=C(/C(=C/C)/C=CC(=C)C#N)N=C/C(=CC(=C)C)/C1=C(C)C=C1C	SCHEMBL20461605	330.466	HXAOEZVSVVXJKT-JUAZMATOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008162
C/C=C(C=C/C(=C)C#N)/C(=C/C)/N=C/C(=CC(=C)C)/C1=C(C=C1C)C	PC-id_135295040	330.466	HXAOEZVSVVXJKT-STLBJVMXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008163
S(C1(F)C(F)(F)C(=C1SCCC)SCCC)CCC	PC-id_86000455	330.496	LLIJSQLWHKERKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008164
CCOC1=C(C(=O)C1=O)[Sn](CC)(CC)CC	PC-id_87353916,SCHEMBL2208880	330.986	YFQLWLRXRDYVEA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008165
Cl[Si]1(Cl)C(=C(/C/1=C/CCCC)B(CC)CC)CCCC	PC-id_23649987	331.204	KJVXBZCGTAPJKX-SQFISAMPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008166
Cl[Si]1(Cl)C(=C(C1=CCCCC)B(CC)CC)CCCC	PC-id_74078642	331.204	KJVXBZCGTAPJKX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008167
CCC(C)OP(=O)(CC=CCNC1=C(C(=O)C1=O)OCC)O	SCHEMBL9203653,PC-id_88427615	331.301	RPEDCNBSEOSOSX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008168
CCOC1=C(C(=O)C1=O)NCC=CCP(=O)(OCC)OCC	PC-id_53638399,SCHEMBL9203657	331.301	AEIKKZPUHUCEBZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008169
CCOC1=C(C(=O)C1=O)NC/C=C/CP(=O)(OCC)OCC	SCHEMBL9203643	331.301	AEIKKZPUHUCEBZ-BQYQJAHWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008170
COCC(C(C(C(NC(=O)C)CNC1=C(N)C(=O)C1=O)O)O)O	PC-id_70867920,SCHEMBL13265732	331.322	AGTVPTNDAZAOHP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008171
CCOC(=O)C1(N)C=C(C1O)C/C=C/CCCCCCC(F)F	SCHEMBL14259459,PC-id_71120408	331.398	HEDWURZEOOHHKH-SOFGYWHQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008172
FC(F)CCCCCCC=CCC1=CC(N)(C1O)C(=O)OCC	PC-id_78013769	331.398	HEDWURZEOOHHKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008173
CCCCCCCN/C(=C/C)/C1=C(C(C1)(CC)CC)/C=C/C(C)C	PC-id_144466169	331.578	GGQWNDWPDFNOFK-XGJCHPRYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008174
C=C[C@@H](C(/C=C/I)(C)C)OC(=O)C1=CCC1	PC-id_146168387	332.177	JPROFKOGDDIJPX-FBOQAHMBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008175
CCC1=C(CC1)C(=O)OC(=O)C=CC(=O)OC(=O)C1=C(CC1)CC	PC-id_87062849	332.348	YHDZJRONJRFSGD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008176
OC1=C(N(CCCC)CCCC)C(=O)C1=[N+](CCCC)CCCC	PC-id_53671414	337.52	BAEGHECHQLMVKF-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-008222
CCC1=C(CC1)C(=O)OC(=O)/C=CC(=O)OC(=O)C1=C(CC1)CC	SCHEMBL54145	332.348	YHDZJRONJRFSGD-KTKRTIGZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008177
CN/C=C/CCCN(C1=C(C(=O)C1=O)NCCN(C)C)C(=C)C=C	PC-id_143205118	332.441	NYZIGXXOXSGTQH-CSKARUKUSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008178
COC(=O)C1=CC(C1(OC)O[Si](C(C)(C)C)(C)C)(OC)OC	PC-id_102386698	332.465	MGQXRBPJVIUYTR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008179
CCC1=C(CC1)CCCCCCCCCCCCCCCCC=C	PC-id_91308555	332.606	RKMLTQRNPPZSQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008180
ClCCCC([C@@H]1C=C[C@@H]1C(=O)O)(C(=O)OCC)C(=O)OCC	PC-id_101555596	332.777	OBUUKBAUGWGNQX-WDEREUQCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008181
BrC1(Br)C(=O)C(=C1)CCBr	PC-id_642058	332.815	YIFAWDOPZHSGIP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008182
CCC1CC(=C1)C(Br)(Br)Br	PC-id_118562808,SCHEMBL17319472	332.858	JGANQCAKPTUBAP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008183
C1=C(C(C1OOON(N)[O-])OOON(N)[O-])OOON(N)[O-]	PC-id_164123863	333.029	FYILIFBDENUSFS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008184
CCCCCCCCCCCCCCCCC1CC(=C1OC)C#N	PC-id_154393483	333.303	CEPPZSFNVWQPBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008185
CCOC1=C(C(=O)C1=O)NCCCCP(=O)(OCC)OCC	SCHEMBL9205139,PC-id_10382154	333.317	BYXFEMQKSMEECE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008186
IC1=C(I)C(=O)C1=O	PC-id_85582119	333.851	VNZCMVBGJKYPFB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008187
C1C=CC1CC(I)I	SCHEMBL15291332,PC-id_89829232	333.937	SYEOJTPCAHZCBO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008188
P(=O)(OC)(OC)CCN(CCCN)C1=C(OCC)C(=O)C1=O	PC-id_10892978	334.305	AIWMYWIEYYQDOY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008189
[Si](OC1=CC(=O)C1(C(F)(F)F)C(F)(F)F)(CC)(CC)CC	PC-id_13159880	334.33	MLDFMSZVALWEDF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008190
O=C(N(CC1=CC(C1)(F)F)NC(=O)OC(C)(C)C)OC(C)(C)C	SCHEMBL17706185,PC-id_121299272	334.359	NMRXFOOSKICTSO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008191
BrC1(C(O)(C=C1OC)COC(=O)CCC=C)C(=O)O	PC-id_10449594	335.148	ZPYKWAOYWAHVDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008192
[Te]C1=C([Te])C(=O)C1=O	PC-id_85973240	335.242	JACSTADBBXRACF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008193
C/C=C(C1=C([Si](C1CC(C)(C)C)(Cl)Cl)[Si](C)(C)C)/C	PC-id_101088610	335.46	NKFZLENBPPEJKN-LUAWRHEFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008194
CC=C(C1=C([Si](C1CC(C)(C)C)(Cl)Cl)[Si](C)(C)C)C	PC-id_54115771,SCHEMBL8084253	335.46	NKFZLENBPPEJKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008195
Cl[Si]1(Cl)C(C(=C1[Si](C)(C)C)/C(=C/C)/C)CC(C)(C)C	PC-id_12022992	335.46	NKFZLENBPPEJKN-PKNBQFBNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008196
CCCCCCCCCCCCCCCCC/C(=C/1C=NC1=O)/O	PC-id_136389676	335.524	ANJMZEHGSQTKRZ-VXPUYCOJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008197
CCCCCCCCCCCCCCCCCC(=C1C=NC1=O)O	PC-id_136491079	335.524	ANJMZEHGSQTKRZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008198
CCCCCCCCCCCCCCCCCC(=O)C1=CNC1=O	SCHEMBL1030933,PC-id_66882969	335.524	CYDWQHDXVFDZBF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008199
[Sn](C1=CCC1)(CCCC)(CCCC)CCCC	PC-id_11175293	343.126	SPCHSBKWAHJYRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008267
CCCCCCC/C=CC(C(C1=CCN1)(CN)C)(CCCCN)C	SCHEMBL16512138,PC-id_117907471	335.57	ZFLRIFRATXMGGX-UVTDQMKNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008200
BrC1=NCC1(C)C(Br)(Br)O	PC-id_141268833	335.819	PJUMKMUKJNFQJC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008201
CCNC1=C(C(=O)C1=O)N(C)CCCCI	PC-id_155278327	336.033	HVLZCCSXHAYDCY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008202
C1=C(C(C1OOO[NH+](N)[O-])OOO[NH+](N)[O-])OOO[NH+](N)[O-]	PC-id_164123862	336.051	YHXDLGSVXNFQNB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008203
CC(=C)C(C(=O)OCCI)N1C=C(C1=O)N	PC-id_145797629	336.126	AJGNSLWJCCIIBB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008204
CN(CCC1=C(CC1)CCN(C)C(=N)N=C(N)N)C(=N)N=C(N)N	PC-id_153372040	336.25	RYUSDCLEDAHMMJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008205
CC(C)(C)OC(=O)N(C(=C(C=O)OCC=C)C1=CCC1=O)C(=O)N	PC-id_88289832,SCHEMBL8381273	336.34	ALJHKQJZXJIHHM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008206
CCCNC1=C(C(=O)C1=O)N/C(=C/N)/CC(CNCC(CC)C)C	PC-id_143280339	336.472	OUYPYHBPDBZTIJ-NTEUORMPSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008207
CCCCCCCCCCC[C@@H](CC1=C(C(=O)O1)CC=C(C)C)O	PC-id_67753359,SCHEMBL9030554	336.509	WCRUAISDACXPDN-SFHVURJKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008208
OC(CCCCCCCCCCC)CC1=C(CC=C(C)C)C(=O)O1	PC-id_77348362	336.509	WCRUAISDACXPDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008209
CCCCN(C1=C([O-])[C+]([C+]1[O-])N(CCCC)CCCC)CCCC	SCHEMBL10962302	336.512	BEVCSAUVOHNYHA-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-008210
CCCCN(CCCC)C1=C(C(=[N+](CCCC)CCCC)C1=O)[O-]	PC-id_88699036	336.512	BAEGHECHQLMVKF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008211
O=C(NCCCCCCC)C1=C(CC1)C(=O)NCCCCCCC	PC-id_85552747	336.512	PUBNXBNQZGZZEN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008212
CCCCCCCCCCCCCCCCCC(=O)OC1=CCC1	SCHEMBL11686307	336.552	PCBRKUSYZIDBJR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008213
[Si](OC(C)C)(C1=C(C(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_21601611	336.627	SNZUHFOGDYXLBT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008214
[Ge](OC1=CC(=O)C1(C(F)(F)F)C(F)(F)F)(C)(C)C	PC-id_16697580	336.805	QQXAUZUQFFBLNM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008215
[Ge](C1=C(C(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)(C)C	PC-id_21601617	337.129	VCYVRUNDBOCGJE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008216
CCOC1=C(C(=O)C1=O)N(CC#N)CCCNC(=O)OC(C)(C)C	PC-id_10806855,SCHEMBL9198211	337.371	QLFITVRIMCNYPK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008217
Cl[Si]1(Cl)C(CC(C)(C)C)C(=C1[Si](C)(C)C)/C=C/OC	PC-id_12022994,SCHEMBL8084239	337.433	GDPBHAYVIHBPNS-CMDGGOBGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008218
Cl[Si]1(Cl)C(CC(C)(C)C)C(=C1[Si](C)(C)C)C=COC	PC-id_53832738	337.433	GDPBHAYVIHBPNS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008219
CCCCCCCCCCCCCCCCNC1=C(O)C(=O)C1=O	PC-id_102527409	337.497	XWSCWVJGLBRJDW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008220
CCCCNC1=C(C(=O)C1=O)NCCCN(CCCC)CCCC	SCHEMBL16255532,PC-id_76311114	337.5	XDRUGQNDJGBODQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008221
[Sn](C1CC=C1)(CCCC)(CCCC)CCCC	PC-id_46919505	343.126	KJNCKVIESBPJQZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008268
CCSC1=C(C(C1)Br)/C(=C/C)/[C@@H](C)Br	PC-id_163834332	337.934	OGJXWJSTPGZRSU-WVRFSUNTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008223
BrC1(C(=C(C1Br)C(C)(C)C)CCCC)C	PC-id_10958677	338.122	JMQBOSFRJWYSDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008224
FC(F)(C1=C(/C(=N/CCC)/N1CCC)C(F)(F)F)C(F)(F)F	PC-id_15880235	338.24	IUUUIIUBNZPBHE-NKVSQWTQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008225
FC(F)(C1=C(/C(=N/C(C)C)/N1C(C)C)C(F)(F)F)C(F)(F)F	PC-id_15888428	338.24	OWRGVUZBADQWDW-NKVSQWTQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008226
CCCN(CCC)CCOCCN(C)C1=C(C(=O)C1=O)C(C)(C)C	PC-id_153438652	338.257	MLZCEVUCDGHNHW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008227
O=C1C(=C(CCCCCOC(=O)C)C1=O)CCCCCOC(=O)C	PC-id_10893117	338.395	QACMKXLUGODWFY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008228
CC/C=C
/C(=C)C(=C1NCC(F)(F)F)N/C(=C/C)/C=C(C(=C)C)/C	PC-id_143280443	338.41	ZONILBFGUQQDIZ-BZBMODLISA-N	00001100000000000000000000000000000000000000000000000000	06-01-008229
COC(=O)/C=C/1C(=O)C(=C1OC(CC(C)C)C)OC(CC(C)C)C	PC-id_102091992	338.438	BOTLDPDJEYYWQI-XNTDXEJSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008230
O(C(=O)C1=C(N(CC)CC)C(=C1N(CC)CC)C(=O)OCC)CC	PC-id_140775	338.442	RHFCLUSXAFYMQB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008231
CCCCCCCCOC1=C(C(=O)C1=O)OCCCCCCCC	SCHEMBL9809630,PC-id_20138705	338.482	WTXVEAUVOKOOIZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008232
O(C(C(CC)CC)CC)C1=C(OC(C(CC)CC)CC)C(=O)C1=O	PC-id_71393228	338.482	KWYFSUPFBDIPOD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008233
CC(C)(CNC1=C(C(=O)C1=O)NCC(C)(C)CN(C)C)CN(C)C	PC-id_90665617	338.488	FZMIUPTWRPWGOG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008234
CCN(CC)CCCNC1=C(C(=O)C1=O)NCCCN(CC)CC	PC-id_90665615	338.488	YOVHACHRLUNABZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008235
[Si](C(C)C)(C(C)C)(C(C)C)C#CC1=C(OC)C(OC)(OC)C1=O	PC-id_86202848	338.514	BRAOAJORLZPSRS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008236
CCCCCCC1=CC(C1)S(=O)(=O)C1CC(=C1)CCCCCC	PC-id_141264202	338.548	LQSNQZWPFVMUIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008237
CCN(CCCNCC1CC(=C1)CNCCCN(CC)CC)CC	PC-id_138564467,SCHEMBL20922025	338.574	YKFIOUMICBTRHP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008238
C/C(=C/C(C(CF)I)O)/C(C1=CCC1)NC	PC-id_155056839	339.05	UJVFXMDPFQBUGA-VURMDHGXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008239
S(CCC(NC1=C(C(C1)(C)C)C(=O)C(F)(F)F)C(=O)OC)C	PC-id_71670847	339.374	RHKZHGUESZKKSO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008240
Cl[Si]1(Cl)C(CC(C)(C)C)C(=C1[Si](C)(C)C)C=CP	PC-id_53720028	339.388	CGQJGKGFFMPYQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008241
OC1(/C(=N/C(C)(C)C)/C(C)(C)C)C(=C(OC(C)C)C1=O)OC(C)C	PC-id_10065811	339.47	CFJMEOGSUCWCIQ-CAPFRKAQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008242
O(C1=C(OC(C)C)C(=O)C1(O)/C(=N/C(C)(C)C)/CCCC)C(C)C	PC-id_10359845	339.47	PBSIZJUPNHJXAF-XSFVSMFZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008243
[Ge](C1=C(OCC)C(Cl)(Cl)C1=O)(CC)(CC)CC	PC-id_13256030	339.832	PKWAEWXEVZHTBF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008244
O=C(N1CC1)C=CC1=[Bi]C=C1	PC-id_142795137	343.136	JMUYWXAVQRDWAM-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008269
C(C(C(=O)N)NC1=C(C(=O)C1=O)NC(CC(=O)N)C(=O)N)C(=O)N	PC-id_165150125	340.113	GAGBGMWAMSHBJX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008245
OC(=O)C1=C(CC1COC(C(F)(F)F)(C(F)(F)F)F)C(=O)O	SCHEMBL1656011	340.148	PDFLJCUFZHEILC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008246
CCCCOC1=C(C(=O)C1=O)NCCNC(=O)CCCCCOC	PC-id_117663775,SCHEMBL16190626	340.415	MKYMJTXWJLIQHX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008247
S=C1CP(=C1[P+](N(C)C)(N(C)C)[S-])(N(C)C)N(C)C	PC-id_101929301	340.428	HHMMUGISQDFSIG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008248
CCC1=CC(N1)C(C1CC(=N1)CC)(C1CC(=N1)CC)C1CC(=N1)CC	PC-id_58915532,SCHEMBL14453271	340.506	IRHXEEUZKDKAPC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008249
CCC1=NC(C1)C(C1CC(=N1)CC)(C1CC(=N1)CC)C1CC(=N1)CC	PC-id_58890537,SCHEMBL35012	340.506	ULNQSOXUBAOKCC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008250
CCCCC1=C(C(C1)C(=O)OC)O[Si](C(C)C)(C(C)C)C(C)C	PC-id_102332437	340.573	URKYXBQNBXSQPC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008251
[Si](C1=C([Si](C)(C)C)C(=C1[Si](C)(C)C)[Si](C)(C)C)(C)(C)C	PC-id_553866	340.799	AYOHYRSQVCLGKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008252
CCC(CCCC(CC)(CC)Cl)CC1=CC(=CC(=O)OCC)C1	PC-id_88818482,SCHEMBL11689697	340.928	SLTUYQGTDIGVOE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008253
[Sn](C1=C(C(C1)(C)C)C(=O)C(F)(F)F)(C)(C)C	PC-id_71670548	340.948	GNRDPDIRSBUTQK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008254
CC(C)(C)OC(=O)NCCCN(C)CCCNC1=C(C(=O)C1=O)O	PC-id_88886107,SCHEMBL12165245	341.403	NRASFBGZMFMXCG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008255
OCCNC(=O)C(C1C=CC1(C)C(C(=O)N(CC[N+](=O)[O-])C)C)C	SCHEMBL19058216	341.403	GBSLCGQDNPJVOK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008256
CCN(CC)C1=C(C(=C1C)SC)[Si](C)(C)[Si](C)(C)C(C)C	PC-id_134888255	341.702	STZSLXFWNPVWLZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008257
CC1C(N1)C(C)(C)C1(CN=C1NC(CCCCCl)CC(C)C)C	PC-id_90753942	341.962	WFLBZMMIAILGDZ-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008258
CCN(CC)CCOCCN(C)C1=C(C(=S)C1=S)C(C)(C)C	PC-id_153438644	342.18	YGKMDVJVZFIOOB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008259
COC(=O)C(C1=C(C(=O)C1=O)C(C(=O)OC)C(=O)OC)C(=O)OC	PC-id_134976327	342.255	LKHGLPUHIFWMKS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008260
CCOC(=O)[C@H]1[C@H](C(=O)OCC)C(=C1C(=O)OCC)C(=O)OCC	PC-id_100992946	342.341	YZKDVDKHNIBRGQ-UWVGGRQHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008261
O(C(=O)C(C1C(C=C1)C(=O)O)(CC(=O)OCC)C(=O)OCC)CC	PC-id_76469929	342.341	CFYXKALWANLENA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008262
O(C(=O)C([C@H]1[C@@H](C=C1)C(=O)O)(CC(=O)OCC)C(=O)OCC)CC	PC-id_56945713	342.341	CFYXKALWANLENA-GHMZBOCLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008263
CC([Si](OC1=C(C(=O)C1=O)O[Si](C(C)(C)C)(C)C)(C)C)(C)C	PC-id_59805381,SCHEMBL14071576	342.578	VSJYPSLKRHEICB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008264
CCCCCO[Si](C1=CCC1)(OCCCCC)OCCCCC	PC-id_145052051	342.589	WLNYSFBSTVLTMO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008265
C[Si](C1C(C(=C1[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)(C)C	PC-id_102241194	342.815	KDEIORUULNUYJY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008266
N#CCCO[P+](N(C(C)C)C(C)C)(NC1=C(C(=O)C1=O)OC)[O-]	PC-id_101745700	343.315	OXMKJWNZVAVQRN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008270
C1=C(C(C1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)F	PC-id_154967036	343.987	DGSKCDNVIYFPHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008271
CC(C)[I-]C1(C=CC1=O)/C=CC(=C)/C=C/CN	PC-id_163723159	344.052	HMZSXHFRKZCJDT-LMJRQTCTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008272
FC(C(C(C(C1=CC(C1(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	SCHEMBL11091776	344.073	VBNMWBWAXKJPNA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008273
CC1=C(N(C1[Sn](C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_140456925	344.114	NALKSXHQQSPTNY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008274
CCOCN1C=C(C1OCC)CCCCCCN(OCC)OCC	PC-id_148878459	344.268	PCOQJPGUHMBTQK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008275
CCCCCCCCCCCC1=C(CC1)[P+](OCC)(OCC)[O-]	PC-id_102279550	344.469	QAJFURVEVBAVMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008276
CCNC(C(CC/C=C/C(=C)/C=CCC(C1CC=C1C)(C)C)CN)C	SCHEMBL19561798	344.577	ARNCFLANCQVQEG-GWPDKMJPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008277
C[Si](OC1=C([C@@H](P1[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_102522567	344.62	HNHWPBWGFYEOPO-MJTSIZKDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008278
CC1=C(C)[Si](C1CC(C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	SCHEMBL8076013,PC-id_22123659	344.712	WDHQXSWOVUXCLA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008279
CCCOC1=C(C(=O)C1=O)[Sn](CC)(CC)CC	SCHEMBL2210766,PC-id_87354172	345.013	YSPPMDONYAMCBW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008280
CC[Sn](C1=C(C(=O)C1=O)OC(C)C)(CC)CC	PC-id_87354451,SCHEMBL2212653	345.013	KZWYRHMXSIFWDR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008281
O=CC1=NC(=C1CC([N+](=O)[O-])([N+](=O)[O-])C)CC([N+](=O)[O-])([N+](=O)[O-])C	SCHEMBL8908043	345.222	BAIUGNDQKBLQRE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008282
NCC1=C(C(=O)C1=O)NCC1=C(C(=O)C1=O)NCC1=C(O)C(=O)C1=O	PC-id_101576617	345.264	KQJRKVKPEFWNJB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008283
CCCNC1=C(C(C1)O)NCCCOCCOCCOCCCN	PC-id_89366257	345.477	TWZGRQRICBDZLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008284
NCCCOCCOCCOCCCNC1=C(C[C@H]1O)NCCC	SCHEMBL14546805	345.477	TWZGRQRICBDZLT-MRXNPFEDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008285
N1C(C(C2CC(C2)CC)(C2NC(C2)CC)C2N=C(C2)CC)CC1CC	PC-id_58590192	345.565	SYWJQJOQYGEHSM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008286
CCC(C(CCCC(C1=CCC1N(C1CC1)C1CCC1)C)CC)CC	SCHEMBL19649683	345.605	FUKRRAWOKLSBOB-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008287
CCCCCCCCC1=CN(C1C)C(CC(CCC#C)CCCC)C	PC-id_145486172	345.605	PMHXADCRMVVJJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008288
CCC(C)C(C)CC1C=CC1CC1CC1C(CC)[CH-]CC(C)C(C)C	PC-id_90923851	345.625	OIKQTWOAMPZNGI-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008289
CC/C(=C(C=C(C)/C=C)/C(=O)C1=CP(C1=O)(C#N)(C#N)C#N)/Cl	SCHEMBL19979496,PC-id_134353306	345.72	JVTITDIWNQJOLK-ZKCBKFBFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008290
FC1=CC(C(O)(C(F)(F)F)C(F)(F)F)(C1)C/C=C/C(F)(F)F	PC-id_58854820	346.165	INFJUJGOEJDYAB-HNQUOIGGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008291
FC1=CC(C(O)(C(F)(F)F)C(F)(F)F)(C1)CC=CC(F)(F)F	PC-id_72444837	346.165	INFJUJGOEJDYAB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008292
FC(F)(F)C(OC(F)(F)CF)(C(=O)[N+]1(CC=C1)C)C(F)(F)F	PC-id_22966653	346.17	KYBHFPNDBLZVPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008293
S(=O)(=O)([N-]S(=O)(=O)C(F)(F)F)C1(C(=O)C=C1)C(F)(F)F	PC-id_59998600	346.204	UWUNDWZJOAROBF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008294
FC1(F)C(CC(=C)OCC(=O)OC(C)(C)C)(C=C1F)C(F)(F)F	PC-id_58662888	346.265	XOCXFIGAMBFEJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008295
CCOC[NH+]1C=C(C1OCC)CCCCCC[NH+](OCC)OCC	PC-id_148878458	346.282	PCOQJPGUHMBTQK-UHFFFAOYSA-P	00001100000000000000000000000000000000000000000000000000	06-01-008296
CCCCCC/C=C/C=CC1C#CC1[C@H](CCCCCCC(=O)O)O	SCHEMBL18922089	346.504	MFFYVAHYTOPPIT-RYOGKNJFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008297
CCC1=C(CC1C)CCCCCCCCCCCCCCCCC=C	PC-id_91587293	346.633	WASWYEQYBZNRNF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008298
CCC(C)C(C)CC1C=CC1CC1CC1C(CC)CCC(C)C(C)C	PC-id_90923852	346.633	ZILFIUDGZBXGQG-UHFFFAOYSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008299
S(=O)(=O)(NS(=O)(=O)C(F)(F)F)C1(C(=O)C=C1)C(F)(F)F	PC-id_59998601	347.212	JDGDRXCIIFNNRF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008300
CCCCCCCCCCCCCCCCC1CC(=C1OCC)C#N	PC-id_154327050	347.319	FLYBRFHSTBUDQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008301
C/C=CC=C(NCCC1=C(CC)C[C@H]1[C@@H](O/C(=CC(OC)C)/C)C)/C	PC-id_138467886,SCHEMBL20813065	347.535	DVJAIEYTSWNZSM-KYSLCGQDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008302
ClC1(Cl)C(=CC1(Cl)Cl)C(=O)OCC(CCCC)CC	PC-id_57000034	348.093	TYXNUOMCBVHLKI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008303
C1CC(=C1)P(=O)(O)OC(=O)C=CC(=O)OP(=O)(C1=CCC1)O	PC-id_87613545	348.182	ITXVWIBPQYXKRE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008304
O=C(OP(=O)(C1=CCC1)O)/C=CC(=O)OP(=O)(C1=CCC1)O	SCHEMBL4042294	348.182	ITXVWIBPQYXKRE-FPLPWBNLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008305
[B](C)CCNC1=C(C(=O)C1=O)N(C)CCN(C)CCCCCCCC	PC-id_153551304	348.282	HYFYHDWHMMWWJL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008306
CCCCCCCCC1(C(=CC1=O)C=COC)CCCCCCCC	PC-id_154232531	348.303	OKHQJBDZPNKPKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008307
COC1(OC)C(=C(C1(OC)OC)OC(=O)C)OC(=O)COC(=O)C	SCHEMBL11523011,PC-id_12500876	348.303	MFRBEHQHSWPZDD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008308
C1=CC(=C1)C#CC1=C(C#CC2=CC=C2)C(=C1C#CC1=CC=C1)C#CC1=CC=C1	PC-id_101416375	348.395	IBXQSOOMHYGYCE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008309
CCCSC1=C(SCCC)C(=C1SCCC)SCCC	PC-id_102466281	348.654	YLALAVJKCFJIFE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008310
CCCNCC(=O)NC1CC(=C1)NC(=O)CO/C(=C/C)/C=CC(C)C	PC-id_137400319,SCHEMBL20632028	349.468	FLKPLZGDNUQBSU-BMYGCAFRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008311
OC1(C(=C(C1=O)C)CCCC)/C(=N/C(CC(C)(C)C)(C)C)/CCCC	PC-id_9997972	349.551	QLPKYVCRGLBEOG-PTGBLXJZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008312
CC(C)(C)OC(=O)N1CC=C1C(=O)N[C@@H](CC1CC1)/C=C/C(=O)OC	PC-id_163807264	350.184	NKBYZRDVIADCMU-SBDDDAINSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008313
CCCCCCC/C=C/CC[C@@H](CC1=C(C(=O)O1)CCCCCC)O	SCHEMBL9825476,PC-id_67935847	350.535	PVYBWFMNIPOMQR-HYSAVQALSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008314
CCC(CCCC(CC)(CC)OCC)CC1=CC(=CC(=O)OCC)C1	PC-id_88819149,SCHEMBL11694060	350.535	XNEDYBJCAQIDTA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008315
O1C(=C(CCCCCC)C1=O)CC(O)CCC=CCCCCCCC	PC-id_57052395	350.535	PVYBWFMNIPOMQR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008316
BrC1C(C(=C1OC)C(=O)OC)(CC(=O)OC)C(=O)OC	PC-id_85207274	351.147	JVAFZTSAOJFOBH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008317
Br[C@H]1[C@@](C(=C1OC)C(=O)OC)(CC(=O)OC)C(=O)OC	PC-id_10617899	351.147	JVAFZTSAOJFOBH-SKDRFNHKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008318
CCCCCCCCN(CC)CCCNC1=C(C(=O)C1=O)NCCC	PC-id_153551348	351.289	PRAYYQLMJXEUKC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008319
O(C(C)(C)C)C(=O)NCCCN(C1=C(OCC)C(=O)C1=O)CCC#N	PC-id_10689274	351.397	AZBSGGRTKGDJHW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008320
CCCCNC1=C(C(=O)C1=O)N(C)CCCN(CCCC)CCCC	PC-id_86293335	351.527	UWVVXXTUNFRZJF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008321
CCCCOC1=C(OCC(=C)C)C(=O)C1(OCCCC)OCC(=C)C	PC-id_101894416	352.465	BEFGZVLQIGYGHL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008322
O(C(=O)CCCCCCCCCCCCCCC)C1=C(O)C(=O)C1=O	PC-id_86053447	352.465	FHNSGROXYHWBQX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008323
C=CC=C(CC(=CC=C)C1C(O)C(=C1O)O)CC(=CC=C)C/C=C/C=C	SCHEMBL10051847	352.467	AWJIJANEOFFTFD-CACUPCIASA-N	00001100000000000000000000000000000000000000000000000000	06-01-008324
C=CC=CCC(=CC=C)CC(=CC=C)CC(=CC=C)C1C(C(=C1O)O)O	PC-id_88558107	352.467	AWJIJANEOFFTFD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008325
[Si](C(=C=C(OC)C1(O)C(=C(C1=O)CCCC)OC)CCC)(C)(C)C	PC-id_10807942	352.54	DSMJRWKBLOKEDA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008326
CCCCCCCCCCCC(CC1=C(C(=O)O1)CCCCCC)O	PC-id_57092087,SCHEMBL9825329	352.551	VVPCRSYUQWWEQL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008327
CCCCCCCCCCCCCCCCC1=C(OC1=O)CC(O)C	PC-id_67936210,SCHEMBL9826939	352.551	DWMUPFCCBGLMIV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008328
CCCCCCCCCCC[C@H](CC1=C(C(=O)O1)CCCCCC)O	PC-id_67754383,SCHEMBL9034473	352.551	VVPCRSYUQWWEQL-LJQANCHMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008329
CCCCCCCCCCC[C@@H](CC1=C(C(=O)O1)CCCCCC)O	SCHEMBL8780195,PC-id_67689505	352.551	VVPCRSYUQWWEQL-IBGZPJMESA-N	00001100000000000000000000000000000000000000000000000000	06-01-008330
S=C1C(=C(N(CCCC)CCCC)C1=O)N(CCCC)CCCC	PC-id_85639470	352.578	TYAGSHWGWNVGSC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008331
[Si](OCCCCC#C[C@]1(O)[C@@](OC)(C(=C1C)C)C)(C(C)(C)C)(C)C	PC-id_10383399	352.584	DUALKBWAHHUQIE-VQTJNVASSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008332
[Si](OCCCCC#CC1(O)C(OC)(C(=C1C)C)C)(C(C)(C)C)(C)C	PC-id_85127811	352.584	DUALKBWAHHUQIE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008333
CCCCCCCCCCCCCCCCCC(=O)O[Si]1=CCC1	PC-id_139975374	352.627	JLUSCDWURFAALF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008334
C=[I]CNOC1CC=[I]1	PC-id_163947966	352.877	RWUXNNOSGDTSHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008335
IN(C(C(C)(C)C)(C)C)C1=C(P)C(=O)C1=O	PC-id_143355974	353.136	XTAXBTKHGYDIJJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008336
PN(C(C(C)(C)C)(C)C)C1=C(I)C(=O)C1=O	PC-id_143355529	353.136	KPUCQKOMSBOZEF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008337
CCCCCCC1=C(OC1=O)C[C@H](C)OC(=O)C(CC(C)C)NC=O	PC-id_163725680	353.22	KVJBGLGLDDOZMD-LBAUFKAWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008338
COC(=O)/C=C/C(=O)OCC(CN1CC=C1)OC(=O)/C=C/C(=O)OC	PC-id_140732386	353.324	FNSKUENIKSLVLY-YDFGWWAZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008339
O=C(NC(C(C)(C)C)C(=O)NC)C(NC1=C(O)C(=O)C1=O)CC(C)C	PC-id_73071917	353.413	FNIJFYRGEVIZKF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008340
O=C(N[C@@H](C(C)(C)C)C(=O)NC)[C@@H](NC1=C(O)C(=O)C1=O)CC(C)C	PC-id_11717321	353.413	FNIJFYRGEVIZKF-LKFCYVNXSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008341
CC(C)(C)C1=C(NC1(C(C(=O)OC)C(=O)OC)C(C)(C)C)C(C)(C)C	PC-id_134905171	353.496	OTRIZPIQDUUXEP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008342
CC1=C(C(C1(C)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_163851322	354.028	HBACOAXBIVUIAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008343
S(C1=C(C(F)(F)C1(C(F)(F)F)C(F)(F)F)C(F)(F)F)CC	PC-id_23262445	354.183	ASHHRQMUTOVSKN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008344
CCCCCCCCCCCCSC1=C(C(=O)C1=O)OC(C)(C)C	PC-id_102420447	354.547	QAWBTKWTKIRNNC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008345
[Si](OC1=C(C(C1C(=O)OC)C)CCCC)(C(C)C)(C(C)C)C(C)C	PC-id_72776818	354.599	ZEMSNTYBCHZEBM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008346
[Si](OC1=C([C@H]([C@@H]1C(=O)OC)C)CCCC)(C(C)C)(C(C)C)C(C)C	PC-id_11268253	354.599	ZEMSNTYBCHZEBM-AEFFLSMTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008347
C1=C(C(C1(F)F)(C(F)(F)F)F)C(C(F)(F)Br)(F)F	PC-id_88695717	354.971	SREHOWYOFNAZBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008348
CC(CSC(=O)OC)C(=O)N(CC(C)(C)CC(C)(C)C)C1=CCC1	PC-id_164040740	355.218	VPZGQKXFICKGBR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008349
CC(C)CC(C(=O)NNC1=C(C(=O)C1=O)OC)NC(=O)OC(C)(C)C	PC-id_90665620	355.386	JDDPOIKFBHEJPM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008350
O(C(=O)[C@@H](NC(=O)C)CCCCNC1=C(NCCCO)C(=O)C1=O)C	PC-id_14872892	355.386	OFUHGOKSAUODLL-NSHDSACASA-N	00000100000000000000000000000000000000000000000000000000	06-01-008351
O(C(=O)C(NC(=O)C)CCCCNC1=C(NCCCO)C(=O)C1=O)C	PC-id_14872891	355.386	OFUHGOKSAUODLL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008352
OC1(C(=C(C1=O)CC)CC)C(N(C)C(=O)OC(C)(C)C)C(=O)OCC	PC-id_10498409	355.426	WWMWGJFXGRVIMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008353
O(C1(C(=C(C(C)(C)C)C1=O)OC(C)C)CN(C)C(=O)OC(C)(C)C)C	PC-id_10522190	355.469	DKXPLUBSGHAUOP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008354
CCN(CC)C1=C(C(=S)C1(C)[Si](C)(C)C)[Si](C)(C)C(C)(C)C	PC-id_134887997	355.729	BRBZNZOFJCQRRN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008355
ClC(Cl)(Cl)C1C(O)(C(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_85870156	355.771	TZXIAKRMEBVBDK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008356
BrCCCOC1=C(OCCCBr)C(=O)C1=O	PC-id_71393218	356.008	GTINJOWZAPAFSM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008357
BrCC1CC(=C1)S(=O)(=O)C1=CC(C1)CBr	PC-id_141468782	356.074	IVUYVZXAFSEKLN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008358
C1(=C(C(C1(F)F)(F)F)SC1(C(C(C1(F)F)(F)F)(F)F)F)F	PC-id_91739038	356.131	IFFGUKFTHIJXCD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008359
C/C=C(C(=C(C(C(C)(C)C)NC1=CC(=O)C1=O)/C=C(/Cl)C)C)/Cl	PC-id_142856960	356.287	SQGMEHPQRHKZDG-QDSLRTKOSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008360
CCOC(=O)CC([C@@H]1C=C[C@@H]1C(=O)OC)(C(=O)OCC)C(=O)OCC	PC-id_135016497	356.368	XGMRNMDMRPGYJE-NWDGAFQWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008361
O(C(C)(C)C)C(=O)CN(CCCNC(=O)O)C1=C(OCC)C(=O)C1=O	PC-id_19738165	356.371	DQZMHWKXBKQIFS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008362
[Sn](CCCC)(CCCC)(CCCC)C1=CC(=O)C1	PC-id_10428388	357.11	YDWJDUWWCNILSC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008363
CCOC1(OCC)C(=C(C1(OCC)OCC)Cl)OC(=O)CCl	SCHEMBL11520904	357.227	ZFJPFLUMQVEDDV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008364
C(CO[P+](=O)OCCNC1=C(C(=O)C1=O)N)NC1=C(C(=O)C1=O)N	PC-id_91136066	357.236	NJYPKIZYKMLVNO-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-008365
C=C/C=CC(=C)C([C@@](C(=NC1(C)C=CC1(C)/C(=C/C)/C)F)(CC)C)(C)C	SCHEMBL20123095	357.548	XSVQJVLCUGPZQK-OLBGZKHJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008366
CCC(C)(C(=NC1(C=CC1(C)/C(=C/C)/C)C)F)C(C)(C)C(=C)/C=CC=C	PC-id_134483700	357.548	XSVQJVLCUGPZQK-ZBQQFUGTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008367
CCCCCCCC(=C)CCCCCC/C=C/C[C@@]1(CC(=C1)C)C(=C)N	PC-id_143914097	357.616	ZOFHTYRUXHIAQD-XOJXFWDVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008368
ClC(Cl)(F)C1(OC(=C1[Si](C)(C)C)OCC)C(Cl)(F)F	PC-id_12697943	357.657	GBTLKUQJTBFQQO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008369
O=C(O)C(N=C(O)C(N=C(O)C(N)CCC1(O)C(=NC1)O)C)C(C)C	CNP0383300	358.39	UCYJORZOKGPDNG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008370
O=C(C1=C(C(=C1C)C)C(=O)NCCC(=O)C(=C)C)NCCC(=O)C(=C)C	SCHEMBL9065403,PC-id_67764312	358.431	SSXZUKUQASMRSM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008371
[Si](C(C)(C)C)(C)(C)C#CC1=C(C#C[Si](C(C)(C)C)(C)C)C(=O)C1=O	PC-id_21638246	358.622	BQNIRZCWJDCPKZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008372
CCCCOC1=C(C(=O)C1=O)[Sn](CC)(CC)CC	PC-id_87359489,SCHEMBL2242227	359.04	QPJNJIMSWVOZJH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008373
CC(C)[Sn](C1=C(C(=O)C1=O)OC)(C(C)C)C(C)C	PC-id_87353911,SCHEMBL2208797	359.04	WCVGTHDFNLXIEB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008374
CCC[Sn](C1=C(C(=O)C1=O)OC)(CCC)CCC	SCHEMBL2211528,PC-id_87354294	359.04	ZGKADEWBEDKCJF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008375
CC[Sn](C1=C(C(=O)C1=O)OC(C)(C)C)(CC)CC	SCHEMBL2242458,PC-id_87359525	359.04	XGPARVAMOOAYKG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008376
CCCC/C=C
/C(=C([Si]1(Cl)Cl)CCCC)B(CCC)CCC	PC-id_101436682	359.257	RMOBBPCMRZBFHY-LGMDPLHJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008377
CC(=C)C(=O)CCNC(=O)C1=C(C(=C1C)C)C(=O)OCCC(=O)C(=C)C	SCHEMBL9065735,PC-id_67764379	359.416	DYIKZNILSIOCEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008378
CCCNC1=C(C(C1=O)O)NCCCOCCOCCOCCCN	SCHEMBL14546797,PC-id_89366253	359.461	DZISBYIZYPRALA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008379
CCCC(CC)CC(CCC)CC(=C)CC(CCC)OCC1C=CP1	PC-id_154980766	366.305	FJMQMRJQCMHYDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008424
O=C(C1=C(C(=C1C)C)C(=O)OCCC(=O)C(=C)C)OCCC(=O)C(=C)C	SCHEMBL9065397,PC-id_67764309	360.401	QQTMJDUCFRBAKQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008380
C(COCCOCCNC1=C(C(=O)C1=O)NCCOCOCCN)N	SCHEMBL15090037,PC-id_89674170	360.406	XNAJGGUONUJYIV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008381
OCC/C=C(/CCCCC1=CC(C1)CCC1CC[C@@H]1CC(C)(C)C)CC	PC-id_142070032	360.616	UZAGKWZOIYVWGB-NFQKZUKBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008382
CCCCC1=C(CC1)CCCCCCCCCCCCCCCCC=C	PC-id_91594006	360.659	FIQQDCCRZYHQPP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008383
C1=C[Bi]=C1C=CC(=O)OCCN	PC-id_154013757	361.052	FYIWIGVVYQCPMM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008384
C1(=C(C(C1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)F)F	PC-id_154989596	361.978	AAPZOVGDVSGAHA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008385
C1(=C(C(C1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)F)F)C(F)(F)F	PC-id_155155832	361.978	NDLIOTQJWHFBDJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008386
C1(=C(C(C1(C(F)(F)F)F)(C(F)(F)F)C(F)(F)F)F)C(F)(F)F	PC-id_154989601	361.978	UBAKLTFGVDWBMI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008387
C1=C[Bi]=C1C=CC(=O)OCCO	PC-id_153878666	362.036	PAHGBHLJJUPENN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008388
FC1(C(F)(C(=C1C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_12708028	362.063	LLUWMRNAOVHUOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008389
FC1(F)C(=C(C1(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F	PC-id_14249323	362.063	LTDFGBMJTFQOOL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008390
CC(=CC(=CC(=C)CI)F)NC1=C(C(=O)C1=O)N	PC-id_88267651	362.139	XUAAEECBHWVPMF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008391
ICC(=C)/C=C(C=C(NC1=C(N)C(=O)C1=O)/C)/F	SCHEMBL8230294	362.139	XUAAEECBHWVPMF-ZHLKMWHVSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008392
P(=O)(OCC)(OCC)CCN(CCCN)C1=C(OCC)C(=O)C1=O	PC-id_10948431	362.358	GKWYQBLNLRKXLY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008393
[Si](C1=C(OCC)C(C1=O)(C(F)(F)F)C(F)(F)F)(CC)(CC)CC	PC-id_13256021	362.383	JUCFXHSJDHGNKP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008394
[Si](C#CC1=C([C@H](OC(=O)C)[C@@H]1OC(=O)C)C#C[Si](C)(C)C)(C)(C)C	PC-id_21638254	362.568	CDSKZDKUBZGMSX-HDICACEKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008395
[Si](C#CC1=C(C(OC(=O)C)C1OC(=O)C)C#C[Si](C)(C)C)(C)(C)C	PC-id_73818549	362.568	CDSKZDKUBZGMSX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008396
[Si](C(C)(C)C)(C)(C)C#CC1=C([C@H](O)[C@@H]1O)C#C[Si](C(C)(C)C)(C)C	PC-id_21638251	362.654	RCPOSMZACVSMTO-HDICACEKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008397
[Si](C(C)(C)C)(C)(C)C#CC1=C(C(O)C1O)C#C[Si](C(C)(C)C)(C)C	PC-id_73818546	362.654	RCPOSMZACVSMTO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008398
ClC1=C(COCC2=C(Cl)C(C2(F)F)(F)F)C(C1(F)F)(F)F	PC-id_121215875	363.031	VHTYMEJWQXLIOW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008399
OC[C@H]([C@H]([C@@H]([C@@H](COCCCCCNC1=C(O)C(=O)C1=O)O)O)O)O	SCHEMBL13092199,PC-id_70837646	363.36	DBHJCGNTTBKNSH-CNVPUSNMSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008400
O(CC(O)C(O)C(O)C(O)CO)CCCCCNC1=C(O)C(=O)C1=O	PC-id_77939893	363.36	DBHJCGNTTBKNSH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008401
CCOC1=C(C(=O)C1=O)NCCCN(CCCNC1=C(C)C(=O)C1=O)C	SCHEMBL16501033,PC-id_58529197	363.408	UZHVSNFBOYRFCO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008402
CNC(=O)NC1=C(C(=O)C1=O)NC(=O)NC1=C(C(=O)C1=O)NC(=O)NC	SCHEMBL8971026,PC-id_58907732	364.27	CJRNYKYHQZMTNL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008403
C1(=C(C(=S)C1=S)S)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F	PC-id_88927864,SCHEMBL12510907	364.274	AWUGQUDNBIKFKC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008404
C=CC(=O)OCCOC(=O)C1=C(C(=C1C)C)C(=O)OCCOC(=O)C=C	PC-id_67763700,SCHEMBL9062898	364.347	GCWSCVPANNCEOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008405
C=CC(=O)NCCCCOC1=C(C(=O)C1=O)OCCCCNC(=O)C=C	SCHEMBL10811305,PC-id_20214609	364.393	HXVYIGIMRGWZJS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008406
CCOC1=C(C(=O)C1=O)NCCCCCCNC1=C(C(=O)C1=O)OCC	PC-id_135021312	364.393	OBCITZHRYWUVSP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008407
O(C(=O)C1C(NC(=O)C2C(C(=O)NC3C(CC3)C(=O)OC)C=C2)CC1)C	PC-id_76445529	364.393	RVRMJASKWCLXPV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008408
O(C(=O)[C@H]1[C@@H](NC(=O)[C@@H]2[C@H](C(=O)N[C@@H]3[C@@H](CC3)C(=O)OC)C=C2)CC1)C	PC-id_56950626	364.393	RVRMJASKWCLXPV-FDFVQJQPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008409
O(C1=C(OC(C)C)C(=O)C1(O)/C=C/CCC(CCC=C(C)C)C)C(C)C	PC-id_10713836	364.519	KDGDCOFYHHBXGJ-NTEUORMPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008410
O(C1=C(OC(C)C)C(=O)C1(O)C=CCCC(CCC=C(C)C)C)C(C)C	PC-id_85242122	364.519	KDGDCOFYHHBXGJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008411
OC1C(=C(CCCCCCCCCC)C1=O)CCCCCCCCCC	PC-id_86058609	364.605	SQJJQMGIVIJNHC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008412
CI=COC=IC1=CNC1	PC-id_165101322	364.877	YJHKVJHHYRUKLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008413
CCCCCCCCCCCCCCCCCNC1=C(C(=O)C1=O)OC	PC-id_154675677	365.293	RVQHZYFZABAPLI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008414
CCCCCCCCN(C)CCNC1=C(C(=O)C1=O)N(C)CCCCC	PC-id_153551299	365.304	ZLVIYWIJMORYJT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008415
ClC1(Cl)C(=C([Si](C(C)(C)C)(C)C)C1=O)[Si](C(C)(C)C)(C)C	SCHEMBL9232317,PC-id_14979594	365.486	RULSVLTVWUJDMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008416
CCCCCCCCCCCCCCCCCCNC1=C(O)C(=O)C1=O	PC-id_101965741	365.55	NCZIAQLYGPGOBK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008417
O(C1=C(NCCCCCCCCCCCCCCCC)C(=O)C1=O)CC	PC-id_53361254	365.55	ZYEIDIRKDKZEPU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008418
CC(C1=C([Si]([C]1C(C)(C)C)(C(C)(C)C)[Si](C)(C)C)C(C)(C)C)(C)C	PC-id_101022070	365.764	KPFHRPYMXBJIMB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008419
CCCCOC1=C(C(=O)C1=O)CNC(=O)CCCCC(=O)CNC(=O)C	PC-id_148454301	366.179	MBUWULYTBJAWCU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008420
FC(F)(C1=C(/C(=N/CC(C)C)/N1CC(C)C)C(F)(F)F)C(F)(F)F	PC-id_15880233	366.293	AFLWTUKSLOBMGE-KSEXSDGBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008421
FC(F)(C1=C(/C(=N/CCCC)/N1CCCC)C(F)(F)F)C(F)(F)F	PC-id_15880234	366.293	UBSKJWZJZZUVIH-KSEXSDGBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008422
FC(F)(C1=C(/C(=N/C(C)(C)C)/N1C(C)(C)C)C(F)(F)F)C(F)(F)F	PC-id_15888423	366.293	IOJNYBLGCBBDKU-AQHIEDMUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008423
CO/C(=C/C(=C(/C1=C(O)C(C1=O)/C(=CO)/C(=CC(=C)OC)/O)CO)/O)/C	PC-id_140913412	366.362	QQIXGMKQFZVXHQ-WBUBSUBPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008425
OCC1=C(OC1=O)CCCCC(CC(C(/C(=C/C(=O)O)/C)C1CO1)C)C	PC-id_145806187	366.449	HPFCDRANEITOLN-NTEUORMPSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008426
CCCCCCCNC1=C(C(=O)C1=O)N[C@H]([C@@H](/C=C/CCCC)O)CO	SCHEMBL16707338,PC-id_118067937	366.495	PJFYAAMMFOICMV-AOOXPWSASA-N	00000100000000000000000000000000000000000000000000000000	06-01-008427
CCCCCCCCCCCCCCCCC[C@@H](CC1=C(C(=O)O1)C)O	SCHEMBL9032239,PC-id_67753790	366.578	LOVPRIMTDGZZNK-NRFANRHFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008428
OC(CCCCCCCCCCCCCCCCC)CC1=C(C(=O)O1)C	PC-id_77348430	366.578	LOVPRIMTDGZZNK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008429
CCCCCCC1=C(C(C1)S(=O)(=O)C1CC(=C1C)CCCCCC)C	PC-id_141264201	366.601	GIJABFHIUWSSKR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008430
CCCC(=C1C=C=C1)CC(C)C(CC=CCC)C(CCCC(C)C)C=C=C	PC-id_91453939	366.622	KHZCRSVCZAQQQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008431
CCCCCCCCCCCCCCCCCCOC(=O)[Si]1=CCC1	PC-id_139626948	366.653	QDYDPJMUYBOYFI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008432
[Si]1([Si](C)(C)C)(C(C(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_10499172	366.772	KFSJVBZWDFDGML-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008433
CCC(C(N(C1=C(P)C(=O)C1=O)I)(C)C)(C)C	PC-id_143351688	367.163	SBSSUTPTUXRWMW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008434
O=C(NC(C(C)(C)C)C(=O)NC)C(NC1=C(OC)C(=O)C1=O)CC(C)C	PC-id_73067417	367.44	DFPITRKHCSNZHL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008435
O=C(N[C@@H](C(C)(C)C)C(=O)NC)[C@@H](NC1=C(OC)C(=O)C1=O)CC(C)C	PC-id_11703364	367.44	DFPITRKHCSNZHL-ZUZCIYMTSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008436
BrC1=C(Br)C(=C1Br)Br	PC-id_85773043	367.659	UBWYHCLVRHZGGU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008437
FC(F)(F)C1(C(=C(C1)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C)C	PC-id_12121772	368.162	YEJYDBNWWPZPGI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008438
C[C@H](C1=C(C=C1)C(S)Br)[C@@H](C)C(C)[C@@H](C)Br	PC-id_135265786	368.171	XUHVLWRMPPQTFH-VADGWELMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008439
C[C@H]([C@@H]([C@@H](C1=CC=C1C(Br)S)C)C)[C@H](Br)C	SCHEMBL20428755	368.171	XUHVLWRMPPQTFH-HWZQTZNQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008440
CCCCOC1=C(C(=O)C1=O)NNC(=O)CCCCC(=O)NNC(=O)C	SCHEMBL14174468,PC-id_58907705	368.385	LUBXOWHVJXPDKE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008441
CCC(C(C(=O)OC)NC1=C(C(=O)C1=O)NC(C(=O)OC)C(CC)C)C	PC-id_139616359	368.425	SCUGUYKODRAMBT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008442
S=C1C(=C(N(C(C)(C)C)C(C)(C)C)C1=S)N(C(C)(C)C)C(C)(C)C	PC-id_85639471	368.643	JUAWWXAXXIBVHS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008443
O(C(C)(C)C)C(=O)C(NC(=O)OC(C)(C)C)C1=C(OC(C)C)C(=O)C1=O	PC-id_11675074	369.409	XUVNWBRJYZABGG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008444
C=CCNC(C1(O)C(=O)C(=C1OC(C)C)OC(C)C)C(=O)OC(C)(C)C	PC-id_101369203	369.453	GMUOCOCUDAVOLD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008445
O(C1(C(=C(C1=O)CC)CC)C(N(C)C(=O)OC(C)(C)C)C(=O)OCC)C	PC-id_10690452	369.453	PSBSQLMCLFXVPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008446
CCOC1=C(C(=O)C1=O)NCCCN(C)CCCNC(=O)OC(C)(C)C	PC-id_91160139	369.456	PRUIFOLQDBJJMQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008447
FC1=C(C(C(F)(F)F)(I)F)C(C1(F)F)(F)F	PC-id_57007247,SCHEMBL3467375	369.954	XLYXXHGHYGGQFN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008448
FC1=C(C(C(I)(F)F)(F)F)C(C1(F)F)(F)F	SCHEMBL4392763	369.954	SPYQQKNKKWOGOQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008449
CCOC(=O)[C@H]1[C@H](C(=O)OC(C)C)C(=C1C(=O)OCC)C(=O)OC(C)C	PC-id_100992948	370.394	WPAOWRTYFOKSBX-YPMHNXCESA-N	00001100000000000000000000000000000000000000000000000000	06-01-008450
CCOC(=O)C([C@@H]1C=C[C@@H]1C(=O)OCC[Si](C)(C)C)(C(=O)OCC)C	PC-id_102343442	370.513	FRGIBUPTSORCNP-UONOGXRCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008451
CC[N+](=C1C(=C(C1(C)[Si](C)(C)C)SC)[Si](C)(C)C(C)(C)C)CC	PC-id_134888048	370.764	HIPVGJHHXCSSHF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008452
CCCC[Sn](C1=CC(=O)C1=O)(CCCC)CCCC	SCHEMBL9468256,PC-id_19766712	371.093	HKZAPPYCXGOIKQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008453
BrC1=C(O[Si](C)(C)C)C(C1=O)(C(F)(F)F)C(F)(F)F	PC-id_13159888	371.146	KTEXNLIVFNWHOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008454
S1C(C(=C1C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(=N)C(F)(F)F	PC-id_12628808	371.146	ASWHPSNWXIVBCR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008455
CSC(C(N(C1=C(C(=O)C1)I)P)(C)C)(C)C	PC-id_143359501	371.218	GMOYFPNALNTVHP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008456
O=C1C(=C(NC(CCC(=O)O)C(=O)O)C1=O)NC(CCC(=O)O)C(=O)O	SCHEMBL14722083,PC-id_71271869	372.284	ZXBMHPPZSWEFQR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008457
CCC[Sn](CCC)(CCC)C1=C(C(=O)C1=O)OCC	PC-id_87354084,SCHEMBL2210179	373.066	XHKHWZLTAQQEQY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008458
CCOC1=C(C(=O)C1=O)[Sn](C(C)C)(C(C)C)C(C)C	SCHEMBL2215491,PC-id_87354855	373.066	WHFASFFLVSGNFW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008459
CCN(S(=O)(=O)[C@H]1[C@H](C(=O)OC)C(=C1C(F)(F)F)C(=O)OC)CC	PC-id_102498856	373.345	BIKVSYXAGNAAAP-SCZZXKLOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008460
P1(C([Si](C)(C)C)[Si](C)(C)C)C(=C(N(CC)CC)C1=O)C(=O)OC	PC-id_11115164	373.575	ANVUORJTDCTSFL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008461
FC(=C1C(=C(C1(F)F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F	PC-id_140118166	374.074	RYGORKJPHNOIQI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008462
FC(=C1C(=C(C1(F)F)F)C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)F	PC-id_140118199	374.074	ICTGZPAXQMAXDK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008463
FC(=C1C(=C(C1(F)F)F)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)F	PC-id_140118150	374.074	YZNYOAPSJJBLSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008464
FC(=C1C(=C(C1(F)F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)F	PC-id_140118179	374.074	YMGLMYBXCLGTKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008465
C1C=C(O1)OCC(COC(=O)COCC(=O)O)NC(=O)CCCCCN	PC-id_164010670	374.169	UQXBULSPXHEHGH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008466
S(=O)(=NC1=C([O-])C(=O)/C/1=N/S(=O)(=O)C(F)(F)F)([O-])C(F)(F)F	PC-id_59046712	374.194	USDMZKFBXLVRPJ-JLZUIIAYSA-L	00000100000000000000000000000000000000000000000000000000	06-01-008467
S(=O)(=NC1=C([O-])C(=O)C1=NS(=O)(=O)C(F)(F)F)([O-])C(F)(F)F	PC-id_72499474	374.194	USDMZKFBXLVRPJ-UHFFFAOYSA-L	00000100000000000000000000000000000000000000000000000000	06-01-008468
ClC1(C(C(=C1C(C)(C)C)C(C)(C)C)C(Cl)(Cl)Cl)C(C)(C)C	PC-id_71400098	374.216	AADSBUBNNXIPLB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008469
CCO[P+]([C@H]1[C@H](C(=O)OC)C(=C1C(F)(F)F)C(=O)OC)(OCC)[O-]	PC-id_102498854	374.247	GVUKYGPJEUMUHK-SCZZXKLOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008470
COC(=O)CC1(CN(C1)C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C1O	SCHEMBL19200714	374.409	KJGCTHFPBCUEAN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008471
C(COCCOCC(C1=C(C(=O)C1=O)C(COCCOCCN)N)N)N	PC-id_89653652	374.433	XSCAUUVEVGDLMI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008472
CCCCC1=C(CC1C)CCCCCCCCCCCCCCCCC=C	PC-id_91223438	374.686	ZJOVDYNQSNNTCJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008473
C=C/C(=CC(=C/C)CNC1=CC(=C)C1)/CNC(=C)C(=C)C/C=C(/C(=O)C#N)C	PC-id_143345863	375.507	QNHOKFLHUZGUFP-RASNMQQRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008474
C[Si](C)(C)C1C=C(P1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	PC-id_92014064	375.785	LYZYLELSJVHTPQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008475
C1CC(=C1)CCCCC(I)I	PC-id_88442173,SCHEMBL9295362	376.016	GZUQUBGRPJYUOH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008476
C1CC(=C1)C(CCCCI)I	PC-id_88442174,SCHEMBL9295366	376.016	GZFQBPYMIFDZAU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008477
CCCC(C(C1=CCC1)I)I	PC-id_88442146,SCHEMBL9295227	376.016	VAHFGTLPRYWJSE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008478
CCCCCC1CC(=C1I)I	PC-id_88442147,SCHEMBL9295231	376.016	DQZKUFRLZMBPSJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008479
CCCCCC1=C(C(C1)I)I	PC-id_88442176,SCHEMBL9295369	376.016	XXVNGYFTMKTOCD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008480
CCCCC(C1=CCC1)(I)I	SCHEMBL9295357,PC-id_88442172	376.016	GHNRRCHQYDIKSG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008481
CCCCCC1=CC(C1I)I	SCHEMBL9295368,PC-id_88442175	376.016	UDVNCRXKNAXRCS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008482
CCOCCOCC(=O)OC1=CC(C1(OCC)OCC)(OCC)OCC	PC-id_151983557	376.21	UDERCLUXIVFKIT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008483
S(=O)(=O)(NC1=C(NS(=O)(=O)C(F)(F)F)C(=O)C1=O)C(F)(F)F	PC-id_44156036	376.21	FKSZMFDKTZDURN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008484
S(=O)(=O)(NC1=C(N=S(=O)(O)C(F)(F)F)C(=O)C1=O)C(F)(F)F	PC-id_59046713	376.21	FKLVGOWOGKTYCO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008485
S(=O)(=O)(NC1=C(N=S(=O)(OF)C(F)F)C(=O)C1=O)C(F)(F)F	PC-id_20705443	376.21	SUEGDQSVZIQMHE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008486
CCOCC(=O)OC1=C(OCC)C(C1(OCC)OCC)(OCC)OCC	PC-id_12500878,SCHEMBL11522361	376.442	RASQSZOCFFATFX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008487
CCCCOC1=C(C(=O)C1=O)CCCCCC1=C(C(=O)C1=O)OCCCC	PC-id_22910853,SCHEMBL8646943	376.443	FRTBYLXOVQWDJC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008488
CCCCCCCCCCCCCCCCCCCCCCCC1CC=C1	PC-id_101019140	376.702	GNZJIGIYWLYSKX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008489
CC(C)(C)OC1C(=C([C@]1(OC(C)(C)C)Cl)OC(C)(C)C)OC(C)(C)C	PC-id_134888283	376.958	RYZUSYNBHPOINO-LGTGAQBVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008490
ClCC1=C(Cl)/C(=C(C(=O)OC(C)(C)C)/C)/C1(C)C(=O)OC(C)(C)C	PC-id_101760182	377.303	QQQURBYOVUPTJH-ZRDIBKRKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008491
FC(C1C(=CN1C(=O)OC(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)F	PC-id_145734085	377.542	QTVSAAQMXBEDQW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008492
CC(CCCCCCCC1=C(CCCCCCCC(C)C)N=C1C(=O)O)C	PC-id_22376987,SCHEMBL1967652	377.604	TXJJZDZULQIWRA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008493
FC1(F)C(=C(I)C1(F)F)I	CoCoCo_5450810,PC-id_276096,LI_138747,NSC123336	377.845	LLRRXTKRZREGCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008494
IC1(F)C(F)(F)C(=C1I)F	PC-id_12553980	377.845	GCMXMCGERDXXKP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008495
I[C@]1(F)C(F)(F)C(=C1I)F	PC-id_23234306	377.845	GCMXMCGERDXXKP-BYPYZUCNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008496
CC[Si](CC)(CC)OC(CC(=C)C1(C(=C(C1=O)C)OC)O)/C=C/C=C/C	PC-id_164668978	378.223	HNESOHDMDITZBR-KRQHZRJMSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008497
CNC(=O)CNC1=C(C(=O)C1=O)NC(=O)NC1=C(C(=O)C1=O)NC(=O)NC	SCHEMBL6124945,PC-id_87945399	378.297	JGZOXXYLBMYJPA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008498
CC(=CC1=C(C=C(C)C)C(=PS(=O)(=O)C)C1=PS(=O)(=O)C)C	PC-id_101458762	378.384	VTBGXMVFHGCDEE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008499
O(C1=C(NCCCCCCCNC2=C(OCC)C(=O)C2=O)C(=O)C1=O)CC	PC-id_85961193	378.42	REKPIUIGOGSUFK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008500
[Si](C(CC(CCC=C(C)C)C)C#CC1(O)C(=C(OC)C1=O)OC)(C)(C)C	PC-id_85216803	378.578	BLZFKYAJATWAJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008501
[Si](C(C[C@@H](CCC=C(C)C)C)C#CC1(O)C(=C(OC)C1=O)OC)(C)(C)C	PC-id_10643394	378.578	BLZFKYAJATWAJA-ZGGTZUKQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008502
CCO[Si](C1=C(CC1)[Si](OCC)(OCC)OCC)(OCC)OCC	PC-id_86640142,SCHEMBL2263587	378.609	AIBGCDQCBDTQHG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008503
CC(=C)CCCCCCCCCCCCCCCCCC(C1=CCC1)(O)O	PC-id_91428677	378.632	NPZCMSDUGJCMGN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008504
CCCCCCCCCCCCCCCCCNC1=C(C(=O)C1=O)OCC	PC-id_154666643	379.309	UXEIRKYZXBTREG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008505
CCCCNC(=O)CC1CC(=C1)[C@@H](C)C(C(=O)N[C@@H](C)C(=O)C(C)(C)C)N	PC-id_135196470,SCHEMBL20349720	379.537	BEOGQPGVHQNTSN-CZSZNVFWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008506
CCCCCCCCCCCCNC1=C(N(C)CCCN(C)C)C(=O)C1=O	PC-id_86293150,CHEMBL4475024,SCHEMBL16255528	379.58	ARYKZNLDSXWMCN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008507
ClC1=C(C(=C(Cl)Cl)C1=C(Cl)Cl)C(=C(Cl)Cl)Cl	PC-id_12385652	379.71	DTHSQDNHLOXRGW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008508
CCOC1=C(C(=O)C1=O)NCCCOCCCNC1=C(C(=O)C1=O)OCC	PC-id_101726538	380.392	FZBAPNBMNWQZAY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008509
O=C(N[C@@]1(C=CC1C(F)F)C(=O)NS(=O)(=O)C1(C)CC1)OC(C)(C)C	SCHEMBL19558554	380.407	VSEPEYOUIAXYQE-NZDRZINCSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008510
CCN(C1=C(O)/C(=C/C(=C)S/C=CNCCCCCC(=O)O)/C1=O)CC	PC-id_142018634	380.502	XVJVFDISAOHKAI-CWENXQOLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008511
CCCCCCC(CC1C=CC1CCCCCCCC(=O)OC)OC(=O)C	SCHEMBL16842683,PC-id_14463855	380.561	PZXQLEDUVBEJBJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008512
CCCCCCCCCCCCOC1=C(N(C)CCCN(C)C)C(=O)C1=O	CHEMBL4442198	380.565	WSGVHLZTNFIJRW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008513
CCCC/C=C/[C@H]([C@H](CO)NC1=C(C(=O)C1=O)NCCCCCCOC)O	PC-id_163805661	382.247	NIUYUSJUZLRNNS-UGTRGGQESA-N	00000100000000000000000000000000000000000000000000000000	06-01-008514
O(C(=O)C1C(C(=C1C(=O)OC(C)(C)C)C(=O)OCC)C(=O)CC)C(C)(C)C	PC-id_12123384	382.448	TYYAAQIUKQBNMI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008515
O(C(=O)[C@@H]1[C@H](C(=C1C(=O)OC(C)(C)C)C(=O)OCC)C(=O)CC)C(C)(C)C	PC-id_21580114	382.448	TYYAAQIUKQBNMI-GXTWGEPZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008516
O(C(=O)[C@H]1[C@H](C(=C1C(=O)OC(C)(C)C)C(=O)OCC)C(=O)CC)C(C)(C)C	PC-id_21580115	382.448	TYYAAQIUKQBNMI-JSGCOSHPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008517
O=C(NC(CC(C)C)C(=O)NC)C(NC1=C(N(O)C)C(=O)C1=O)C(CC)C	PC-id_72999401	382.455	ALOSOBMNXZGZRK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008518
O=C(NC(C(C)(C)C)C(=O)NC)C(NC1=C(N(O)C)C(=O)C1=O)C(CC)C	PC-id_73033619	382.455	PZDHOCTUMYTCTQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008519
O=C(NC(C(C)(C)C)C(=O)NC)C(NC1=C(N(O)C)C(=O)C1=O)CC(C)C	PC-id_73060567	382.455	HGLGAMQGGDCSPZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008520
O=C(N[C@@H](C(C)(C)C)C(=O)NC)[C@@H](NC1=C(N(O)C)C(=O)C1=O)CC(C)C	PC-id_11682411	382.455	HGLGAMQGGDCSPZ-ZUZCIYMTSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008521
O=C(N[C@@H](CC(C)C)C(=O)NC)[C@@H](NC1=C(N(O)C)C(=O)C1=O)[C@H](CC)C	PC-id_11538193	382.455	ALOSOBMNXZGZRK-SRVKXCTJSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008522
O=C(N[C@@H](C(C)(C)C)C(=O)NC)[C@@H](NC1=C(N(O)C)C(=O)C1=O)[C@H](CC)C	PC-id_11625134	382.455	PZDHOCTUMYTCTQ-AMJWSMQMSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008523
CCC/C=C/CC1=C(C(=O)C1=O)NCCCOCCOCCOCCCN	SCHEMBL14546812,PC-id_71200765	382.494	NMYMRYDWPYJGSN-SNAWJCMRSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008524
O(CCCNC1=C(CC=CCCC)C(=O)C1=O)CCOCCOCCCN	PC-id_78034727	382.494	NMYMRYDWPYJGSN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008525
O=C([P@]1(=O)C(=C([C@@H]1C(C)(C)C)C(C)(C)C)O)/C(=CC(C)(C)C)/C(C)(C)C	PC-id_102522573	382.517	IKMMJHZIVOCSGF-YVLBGRJHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008526
O=C([P@@]1(=O)C(=C([C@@H]1C(C)(C)C)C(C)(C)C)O)/C(=CC(C)(C)C)/C(C)(C)C	PC-id_139180636	382.517	IKMMJHZIVOCSGF-KEDIHFSOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008527
CC(OC1=C(C(=O)C1=O)C(C(=O)OC(C)(C)C)(NC(=O)OC(C)(C)C)C)C	PC-id_101369208	383.436	PNQQARPUEDHBDE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008528
BrC(F)(F)C1=C(C(F)(F)C1(F)F)C(Br)(F)F	PC-id_23233384	383.859	DBABBGZGABGSMK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008529
OCC(C1OC(=C1OCCC/C=C(/CCCC(CCCC(C)C)C)C)O)O	PC-id_144210740	384.55	APFNAMGNPJLFCZ-LICLKQGHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008530
CCCCCCO[Si](C1=CCC1)(OCCCCCC)OCCCCCC	PC-id_145052084	384.668	QSYQSNMVMPRFHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008531
CCCC[Sn](C1=C(C)C(=O)C1=O)(CCCC)CCCC	PC-id_14961821,SCHEMBL9467445	385.12	BTFFOWJFXVJZSM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008532
C(CO[P+](=O)OCCNCC1=C(C(=O)C1=O)N)NCC1=C(C(=O)C1=O)N	PC-id_91545789	385.289	MDTXPGSARZAAPO-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-008533
CCC(CCCC(=C(CC)C1=C(CC1)CCCI)C)I	PC-id_89529665	500.24	JZTFNRXCMXOKMZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008884
O=C1C(=C(NC(CC(=O)O)C(=O)O)C1=O)NC(CCCN=C(N)N)C(=O)O	PC-id_78121186	385.329	JQUMNWSOARKTFA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008534
O=C1C(=C(N[C@@H](CC(=O)O)C(=O)O)C1=O)N[C@@H](CCCN=C(N)N)C(=O)O	PC-id_71582985	385.329	JQUMNWSOARKTFA-WDSKDSINSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008535
IC1=C(CC1)CCC1=C(CC1)I	PC-id_101403310	386.011	TTZPWADNLWHBPA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008536
CCCC[Sn](C1=C(N)C(=O)C1=O)(CCCC)CCCC	PC-id_14952242,SCHEMBL9466733	386.108	SOBBUBJOYRQYEI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008537
CCCCC1(C(=C(C1(C)O[Si](C)(C)C(C)(C)C)OC(C)C)OC(C)C)O	PC-id_134874105	386.641	AYDHUUKUVKCDLT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008538
CC(C)OC1=C(C(C1(C)O[Si](C)(C)C(C)(C)C)(C(C)(C)C)O)OC(C)C	PC-id_134874306	386.641	GRNAENGIPZLGDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008539
CCCOC1=C(C(=O)C1=O)[Sn](CCC)(CCC)CCC	SCHEMBL2210826,PC-id_87354182	387.093	NYUGQGYHHOJMKG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008540
CCCOC1=C(C(=O)C1=O)[Sn](C(C)C)(C(C)C)C(C)C	SCHEMBL2210954,PC-id_87354206	387.093	UCXLTHJQIJJYOX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008541
CC(C)OC1=C(C(=O)C1=O)[Sn](C(C)C)(C(C)C)C(C)C	SCHEMBL2212070,PC-id_87354376	387.093	KHIPQVXDBRZSNX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008542
CCC[Sn](C1=C(C(=O)C1=O)OC(C)C)(CCC)CCC	PC-id_87354320,SCHEMBL2211653	387.093	LFJHTTFJMDEGJL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008543
COC1=C(C(=O)C1=O)N[C@H](C(=O)NNC(=O)/C=C/S(=O)(=O)C)CC(C)C	ChEMBL-DNDi_CHEMBL1928660,PC-id_57397246	387.408	DTCKBDMPLQYQQY-CYNONHLPSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008544
S(=O)(=O)(C=CC(=O)NNC(=O)C(NC1=C(OC)C(=O)C1=O)CC(C)C)C	PC-id_76537231	387.408	DTCKBDMPLQYQQY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008545
C1(=C(C(C1(F)F)(F)F)SSC1(C(C(C1(F)F)(F)F)(F)F)F)F	PC-id_91700499	388.196	ALWREAFJXSBPHS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008546
CCCCC1=C(CC1)C(=O)OC(=O)C=CC(=O)OC(=O)C1=C(CC1)CCCC	PC-id_87527310	388.454	GTEWAPWGNNQTAZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008547
CCCCC1=C(CC1)C(=O)OC(=O)/C=CC(=O)OC(=O)C1=C(CC1)CCCC	SCHEMBL3433841	388.454	GTEWAPWGNNQTAZ-YPKPFQOOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008548
CCCCCCC1=C(CC1)CCCCCCCCCCCCCCCCC=C	PC-id_90989432	388.712	UMLGPDIABAKEEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008549
C[Si](C1=C(C#C[Si](C)(C)C)C(=C1C#C[Si](C)(C)C)[Si](C)(C)C)(C)C	PC-id_15912758	388.842	URCBOBKBLCDNJF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008550
CCCCCN/C(=C/1C(=CC1=C)C)/C(C)C[I]=C(N)N	PC-id_163658589	389.133	ISJWIMUIGGXFNX-PFONDFGASA-N	00001100000000000000000000000000000000000000000000000000	06-01-008551
CCC1=C(CC)CC1(I)C(I)C	PC-id_122536976,SCHEMBL18073046	390.043	WLRBREOCBJAGKL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008552
CC1=C(C(=O)C1=O)NCCN(C)CCC(C)(C)C2=C(C(=O)C2=O)NCCNC	PC-id_155281293	390.227	NEFHZKJXDHFIRG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008553
CCCCCCCCCCCCCCCCCCOC=CC1=CC(=O)C1(C)C	PC-id_154326017	390.35	RNYYWSLGDJWIFG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008554
CC(C1=C(C(C1(F)F)(F)F)Cl)OC(C)C1=C(C(C1(F)F)(F)F)Cl	PC-id_90471457	391.085	WCUZIORZSOOZKB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008555
CC/C=CC(=C/C)C(=O)NC(=NC)/C(=CN(C(CCC1=C(CC1)O)C)C=O)/F	PC-id_142270526	391.48	IAUNOAJAWICDPY-CZMUBNGFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008556
CCCCCCCCCC=CCCCCCCCNC1=C(C(=O)C1=O)OCC	PC-id_88559146	391.587	WCFUSXBAXUVAAG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008557
CCCCCCCCC/C=CCCCCCCCNC1=C(C(=O)C1=O)OCC	SCHEMBL10058640	391.587	WCFUSXBAXUVAAG-SEYXRHQNSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008558
OC1(C(=C(C1=O)CCCC)CCCC)/C(=N/C(CC(C)(C)C)(C)C)/CCCC	PC-id_10249911	391.63	MBNULDCPLPLWDC-YYADALCUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008559
CNC(=O)CNC1=C(C(=O)C1=O)NC(=O)CNC2=C(C(=O)C2=O)NC(=O)NC	PC-id_149259533	392.108	XOYSQXNEFMJNOD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008560
FC1=CC(C(OCC(=O)OC(CC)C)(C(F)(F)F)C(F)(F)F)(C1)CC=C	PC-id_58854823	392.309	HBEPJOUIRZGDTB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008561
C=CCNC1=C(C(=O)C1=O)CCSSCCC1=C(C(=O)C1=O)NCC=C	PC-id_101444336	392.492	ITVROSJGXXDSEM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008562
C=CCN(C(=O)OC(C)(C)C)C[C@@H]1C=C[C@@H]1CN(C(=O)OC(C)(C)C)CC=C	PC-id_122223548	392.532	RZPHOZRHFHTKSF-HDICACEKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008563
FC(F)(C(NC)(C1=C(N(C1=NC)C)C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_21732854	393.2	JOFGHAZGDQQFRC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008564
CCCCCCCCN(CC)CCCN(C)C1=C(C(=O)C1=O)NCCCCC	PC-id_153551483	393.336	SLPZTVNAYSXXNV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008565
C=CC(=O)OCCNC(=O)N(C(=O)N(CCOC(=O)C=C)O)CCC1=CC=C1	PC-id_145641319	393.391	VVHRHHIPBJXDKW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008566
CCOC1=C(C(=O)C1=O)NCCCN(C)CCCNC1=C(C(=O)C1=O)OCC	SCHEMBL12165247,PC-id_88886109	393.434	OIZCIODSVOSKSQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008567
OC1(/C(=N/C(CC(C)(C)C)(C)C)/CCCC)C(=C(C1=O)CCCC)OC(C)C	PC-id_10430693	393.603	GPVRTCUDCWUALO-NCELDCMTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008568
CCCCCCCCCCCCCCCNC1=C(C(=O)C1=O)NCCN(C)C	SCHEMBL16255513,PC-id_86293145	393.606	QGKJJMNIYSOENI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008569
CCCCCN(C1C(=C(C1=O)N(CCCCC)CCCCC)[O-])CCCCC	PC-id_100985582	393.626	WVZMDXCUYRMWAL-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-008570
S(=O)(=O)(OC1=CC(C1)C(C)C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	PC-id_13485109	394.254	NKCGMBRBZMHLQK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008571
CC(C)CC(=O)NCCNC1=C(C(=O)C1=O)NCC(C)(C)NC(=O)CC(C)C	PC-id_155207024	394.258	DKHUOSPYJMGBPL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008572
O=C(OC(C)(C)C)C[C@@H](NS(=O)C(C)(C)C)CC1=CC[C@H]1Br	SCHEMBL19578930	394.367	RDAMWQHBIKKCCG-QQQQXTOTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008573
CCCCCCCCCCOC1=C(C(=O)C1=O)OCCCCCCCCCC	SCHEMBL6658770,PC-id_71393237	394.588	ISWFUVBWJNNQSU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008574
CCN(CC)CCCC(C)NC1=C(C(=O)C1=O)NC(C)CCCN(CC)CC	PC-id_90665618	394.594	DUMPTKHXGWYDCR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008575
CCCCCCCCCCCCCCCNC1=C(C(=O)C1=O)NCC[NH+](C)C	PC-id_144745589	394.614	QGKJJMNIYSOENI-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-008576
CCCCCCCCCCCCCCCCC[C@@H](CC1=C(C(=O)O1)CCC)O	PC-id_67753904,SCHEMBL9032798	394.631	SOSVTBAWTLUJFS-QFIPXVFZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008577
OC(CCCCCCCCCCCCCCCCC)CC1=C(CCC)C(=O)O1	PC-id_77348453	394.631	SOSVTBAWTLUJFS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008578
CCCCCN(C1C(=C(C1=O)N(CCCCC)CCCCC)O)CCCCC	PC-id_100985583	394.634	WVZMDXCUYRMWAL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008579
CCCCC1=C(CCCC)CC1S(=O)(=O)C1CC(=C1CCCC)CCCC	PC-id_141264207	394.654	ZFEATXKPGKMWAA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008580
CC(CCCCC1=CC(C1C)S(=O)(=O)C1C=C(C1C)CCCCC(C)C)C	PC-id_141264200	394.654	YXPKKTLAZPWIMF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008581
CC[C@@H]([C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C=C[C@@H]1C[C@@H](C(=O)O)NC(=O)[C@@H](NC)C)C	SCHEMBL18738492	395.45	LGZJXCUTSNXMOO-SQGICHGQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008582
OC1(/C(=N/C(CC(C)(C)C)(C)C)/C(C)(C)C)C(=C(OC(C)C)C1=O)OC(C)C	PC-id_10046241	395.576	MQOMXXKVJZNULU-LYBHJNIJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008583
OC1(/C(=N/C(CC(C)(C)C)(C)C)/CCCC)C(=C(OC(C)C)C1=O)OC(C)C	PC-id_10430817	395.576	YYPITTYCNHNMPR-JJIBRWJFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008584
CCCCCCCCN(CCCCCCCC)CCN(C)C1=PC(=O)C1=O	PC-id_153551520	396.291	CDSCAJPVQWNGHM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008585
N1=C(CC1C(C1N=C(C1)C(C)C)(C1N=C(C1)C(C)C)C1=NC(C1)C(C)C)C(C)C	PC-id_58587270	396.612	HVIPNVWHBOKEJB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008586
N1C(C(C2N=C(C2)C(C)C)(C2N=C(C2)C(C)C)C2=NC(C2)C(C)C)C=C1C(C)C	PC-id_58690913	396.612	RSWUXGMHLRKRCZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008587
CCCCOC1=C(C(=O)C1=O)NNC(=O)C(CC(C)C)NC(=O)OC(C)(C)C	PC-id_90665628	397.466	CXBAVCMYADXHMU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008588
CCOP(=O)(OCC)C1=C(P(=O)(OCC)OCC)C(F)(F)C1(F)F	NSC123335,MCULE-9212404016,ZINC22_1713097,CoCoCo_5450809,PC-id_276095,LI_138746	398.225	COQMETRYGZYKBA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008589
CCCN(C)CC(=C)NCC1(C=CC1(C)C)C(C)C(C)CC(C)C(C(C)F)F	PC-id_155070653	398.347	NSBDXMMVIUKUST-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008590
S=C1C(=C(NC(CC(C)C)C(=O)NC(C(C)(C)C)C(=O)NC)C1=O)N(O)C	PC-id_72996916	398.52	DYTHZJITDDCRRP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008591
S=C1C(=C(NC(C(CC)C)C(=O)NC(CC(C)C)C(=O)NC)C1=O)N(O)C	PC-id_72999497	398.52	IYNHOUJJGSOZHA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008592
S=C1C(=C(N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)(C)C)C(=O)NC)C1=O)N(O)C	PC-id_11531402	398.52	DYTHZJITDDCRRP-ZUZCIYMTSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008593
S=C1C(=C(N[C@@H]([C@H](CC)C)C(=O)N[C@@H](CC(C)C)C(=O)NC)C1=O)N(O)C	PC-id_11538552	398.52	IYNHOUJJGSOZHA-SRVKXCTJSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008594
[Si](C(=C=C(OC(C)(C)C)C1(O)C(=C(OC)C1=O)OC)[Si](C)(C)C)(C)(C)C	PC-id_10668587	398.641	JUIDPRMVLMQBRH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008595
CC(O[Si]1(C(=C(C1[Si](C)(C)C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C)(C)C	PC-id_101705618	398.846	CLXFXIDEKAZBBS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008596
CC(O[Si]1(C(C(=C1[Si](C)(C)C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C)(C)C	PC-id_101705619	398.846	GXHXIZCUTWWYQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008597
CC(O[Si@@]1(C(=C([C@H]1[Si](C)(C)C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C)(C)C	PC-id_101942357	398.846	CLXFXIDEKAZBBS-BVZFJXPGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008598
CC(O[Si@@]1([C@H](C(=C1[Si](C)(C)C)C(C)(C)C)C(C)(C)C)[Si](C)(C)C)(C)C	PC-id_101942358	398.846	GXHXIZCUTWWYQM-NSYGIPOTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008599
C[Si](O[C@]1(C(=C[Si@@]1(C(C)(C)C)[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_101534985	398.846	GDXRPLXZXVIUDH-OFVILXPXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008600
C[Si](O[C@@]1(C(=C[Si@@]1(C(C)(C)C)[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_101534987	398.846	GDXRPLXZXVIUDH-BWKNWUBXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008601
C[Si](O[Si@@]1(C(=C[C@@]1(C(C)(C)C)[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_101534986	398.846	RFFIMFMOXDFNFY-BWKNWUBXSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008602
CC1(C(=C(C1(C(C)(C)C)Cl)C(C)(C)C)C(C)(C)C)C(=O)C(=O)OC(C)(C)C	PC-id_134976859	399.007	KGNQZKZUSIARSD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008603
CCCC1=C(O[Si](C)(C)C)C(C1(O[Si](C)(C)C)C(=O)OC)(Cl)Cl	PC-id_101012548	399.457	YMVVIYAXGYDWOK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008604
CCN(CC)C1=C(C(=S)C1(C)[Si](C)(C)C)[Si](C)(C)[Si](C)(C)C(C)C	PC-id_134888160	399.857	IBDKYNWEQLQTNM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008605
CC/C=C(/C(=CC(=C/C)C)/F)N(CC(=CC)C)C(=O)C(C)C1CC(=C1C)C(=C)N	PC-id_153540069	400.289	UTOHYMGSDUFMSI-OTYVBZATSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008606
[Si](C1=C(C(=C1CO[Si](C)(C)C)[Si](C)(C)C)CO[Si](C)(C)C)(C)(C)C	PC-id_11124234	400.851	OXAHSBDPUZTUHJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008607
[Si](C1=C([Si](C)(C)C)C(=C1CO[Si](C)(C)C)CO[Si](C)(C)C)(C)(C)C	PC-id_11124232	400.851	BFRPDWVGGXFANK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008608
CCCCOC1=C(C(=O)C1=O)[Sn](CCC)(CCC)CCC	PC-id_87359231,SCHEMBL2240305	401.119	ONUBLKOJFMGJDD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008609
CCCCOC1=C(C(=O)C1=O)[Sn](C(C)C)(C(C)C)C(C)C	SCHEMBL2238370,PC-id_87358980	401.119	TZEGOLWEVHTYLJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008610
CCCC[Sn](C1=C(C(=O)C1=O)OC)(CCCC)CCCC	PC-id_58646029,SCHEMBL2210620	401.119	WZNGNHXGRLNKCH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008611
CCC[Sn](C1=C(C(=O)C1=O)OC(C)(C)C)(CCC)CCC	PC-id_87359682,SCHEMBL2243772	401.119	TYLKMYMIMZJDTR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008612
CC(C)[Sn](C1=C(C(=O)C1=O)OC(C)(C)C)(C(C)C)C(C)C	PC-id_87360217,SCHEMBL2247097	401.119	HXCCRISWBQILNJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008613
CCCC[Sn](C1=C(CC1)OC(C)C)(CCCC)CCCC	SCHEMBL7921831,PC-id_88221384	401.205	VEWNSJIDZPWBKA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008614
CCC(C)C(C)C(C)C(CC(=C)C)CC1(C=CC1N=C)I	PC-id_135202389	401.369	BKNAWFCVQCXKKA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008615
CCC([C@@H]([C@@H](C(CC1(I)C=CC1N=C)CC(=C)C)C)C)C	SCHEMBL20356266	401.369	BKNAWFCVQCXKKA-WQGQCGJVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008616
CCO[Si](CCCNC1=C(C(=O)C1=O)NCCCN(C)C)(OCC)OCC	PC-id_135024714	401.573	OGYMITXMZMISCB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008617
FC1(F)C(F)(F)C(=C1OC1=C(C(F)(F)C1(F)F)C(F)(F)F)C(F)(F)F	PC-id_56607160,SCHEMBL713661	402.084	STXUUBADOUYWNA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008618
CCCCCCC1=C(CC1C)CCCCCCCCCCCCCCCCC=C	PC-id_91525182	402.739	JTLVWEKWIACFDL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008619
CC1=C([Si](C1CC(C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	SCHEMBL8084240,PC-id_22123658	402.867	QRFJYCRMLSQVHL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008620
[Sn](C1=CC(OC)(OC)C1)(CCCC)(CCCC)CCCC	PC-id_86026496	403.178	DCKPJUKUVAXTBE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008621
CC(SC1=C(SC(C)(C)C)C(=C1SC(C)(C)C)SC(C)(C)C)(C)C	PC-id_102466282	404.76	AHRTXTDZRRWFNV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008622
CCN(S(=O)(=O)[C@H]1[C@H](C(=O)OC)C(=C1C(C(F)F)(F)F)C(=O)OC)CC	PC-id_102498857	405.362	CENFANLZGOQDCE-SCZZXKLOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008623
CCOC1=C(C(=O)C1=O)NCCO[C@H]([C@@H](CO)O)OC([C@@H](O)C)CCC(=O)O	SCHEMBL18652546	405.397	ASXXJCJYQANZKE-MWCLTHHXSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008624
O=C(OC(C)(C)C)N[C@H](C(=O)O)CSSC1=C(C(=O)C1=O)OC(C)(C)C	PC-id_102420459	405.486	KMDPBXBKENDKPC-QMMMGPOBSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008625
C/C=C(/N=C(C(=C)NCC(=C)CC=CC/C(=C(/NC1=CC(=CC)C1=C)C)/C)CC)C	PC-id_143342758	405.619	PBYIZNSSLMTQNS-ZMESAAHJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008626
C=CC([C@H]1C=C[C@H]1[C@@H](C(C(C(CC(Br)C)C)C)C)C)Br	PC-id_139501200	406.239	APMLHPIYBAIGNA-WQPHNKSQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008627
C=CC([C@H]1C=C[C@H]1[C@@H]([C@@H]([C@H]([C@H](C[C@H](Br)C)C)C)C)C)Br	SCHEMBL21370593	406.239	APMLHPIYBAIGNA-RWVMXRNYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008628
P(=O)(OCC)(OCC)C1=C(P(=O)(OCC)OCC)C(=C(C)C)C1=C(C)C	PC-id_10525370	406.391	ARRDOYXPJHJDDZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008629
CCCCCCCCC1=C(CCCCCCCC)P=C1CCCCCCCC	PC-id_139615333	406.668	LGFRHAPRQMCACG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008630
FC(C1=NC(=C1F)C(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	PC-id_14689557	407.079	KNGXDRFHSPNYMF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008631
CCCCCCCCN(CCCCCCCC)CCCNC1=C(C(=O)C1=O)NC	PC-id_153547782	407.351	GFUNAGOHWZGCNH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008632
CCCCCCCCCCCCCCCNC1=C(C(=O)C1=O)N(C)CCN(C)C	PC-id_86293336	407.633	RQSLRFRWFGZCLD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008633
O=C1C(=C(NCCN(C)C)C1=O)NCCCCCCCCCCCCCCCC	PC-id_76329186	407.633	YPTTVHATSJIIKC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008634
FC(F)(C1(N(C(=C1C(=O)C(F)(F)F)NCC)CC)C(F)(F)F)C(F)(F)F	PC-id_10621414	408.211	KEGCAHUKNYSHCY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008635
CCCCCCCCCCCCCCCCCCC1C(C2=C3C#CC3=C12)CCCC	PC-id_153353225	408.376	MQODULBOYPIWIH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008636
CCCCCCCCCCCCCCCNC1=C(C(=O)C1=O)NCC[N+](C)(C)C	PC-id_86293148	408.641	KQPIGZLGHIMUGT-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-008637
CC(C1=C(C(=[Si]1[Si](C(C)(C)C)(C)C)[Si](C(C)(C)C)(C)C)C(C)(C)C)(C)C	PC-id_101166935	408.884	ABGJKMRIYSNXLN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008638
O(C(=O)C(NC(=O)OC(C)(C)C)(C1=C(OC(C)C)C(=O)C1=O)CC=C)C(C)(C)C	PC-id_11596678	409.473	IUMIDRFXUPQGKX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008639
PN(C1=C(C(=O)C1=O)N(I)C)I	PC-id_143356517	409.888	QQIIJFUQIOQVOK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008640
CC(C1=C(C([Si]1[Si](C(C)(C)C)(C)C)[Si](C(C)(C)C)(C)C)C(C)(C)C)(C)C	PC-id_101735466	409.892	WUUOOZZHJFAKOC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008641
N#CC(=CC=CC1C(=C(C1(C=CC=C(C#N)C#N)C=CC=C(C#N)C#N)C#N)C#N)C#N	PC-id_53772946	410.39	DPXNOUCGHVQBNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008642
CC(C1=C(C([SiH]1[Si](C(C)(C)C)(C)C)[Si](C(C)(C)C)(C)C)C(C)(C)C)(C)C	PC-id_101263090	410.9	DVTHQCJBGWJQQH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008643
CC(C1C(=[Si](C1[Si](C(C)(C)C)(C)C)[Si](C(C)(C)C)(C)C)C(C)(C)C)(C)C	PC-id_101144009	410.9	XUYMXDQLUYYPKY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008644
CC[C@@H](C1CC=C1C)[I](=[I]N)(N)N	PC-id_163572621	410.967	GARYVYPVBXNMTE-MQWKRIRWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008645
O=C(C1=C(C(=O)N1)O)O[Al](OC(=O)C1=C(C(=O)N1)O)OC(=O)C1=C(C(=O)N1)O	PC-id_142771186	411.17	XPUMGLJVUIZMKJ-UHFFFAOYSA-K	00001100000000000000000000000000000000000000000000000000	06-01-008646
COC(=O)C1=C(Br)C(C1(OC)O[Si](C(C)(C)C)(C)C)(OC)OC	PC-id_102386700	411.361	ZQCFCOXUYXGWAE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008647
CC(OC1=C(C(=O)C1=O)C(C(=O)OC(C)(C)C)(C(C)C)NC(=O)OC(C)(C)C)C	PC-id_101369212	411.489	JAKNVVUYUCSDJU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008648
C[Si](C1=C([Si](C)(C)C)[C@]([C@@]1(Cl)[Si](C)(C)C)(Cl)[Si](C)(C)C)(C)C	PC-id_101465222	411.705	UOXPDYDPSYFTKV-HOTGVXAUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008649
CC(C1=C(C(C)(C)C)[Si](C1[Si](C(C)(C)C)(C)C)([2H])[Si](C(C)(C)C)(C)C)(C)C	PC-id_101735467	411.906	DVTHQCJBGWJQQH-CORJAIEOSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008650
C1(=C(C(C1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)F)C(F)(F)F	PC-id_154989598	411.974	RCTZQRBIMAOLQY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008651
FC1(F)C(C(=C1C(F)(F)F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	PC-id_12708036	412.071	IFFSWRSBCZFNSQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008652
O=C(C(Br)(C)C)OC[C@@H]1C=C[C@@H]1COC(=O)C(Br)(C)C	PC-id_102185367	412.114	JQVCHGJNVQUPST-AOOOYVTPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008653
CC(C)(C)[C@@H](CN=P(C)(C)C)NC1=C(C(=O)C1=O)N[C@H](C(=O)NC)C(C)(C)C	PC-id_164674800	412.26	VJPTZJRCVDISLP-SJKOYZFVSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008654
NC1=C(C(=N)C1=N)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	PC-id_145728412	413.138	GHVACZWISCXAHH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008655
CCCCC([Sn]C1=C(CC1)OC(C)C)(CCCC)CCCC	PC-id_141061508	413.216	DRYMWCCATKCIKX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008656
CCCC[Sn](C1=C(C(=O)C1=O)NCC)(CCCC)CCCC	SCHEMBL9468178,PC-id_85645438	414.161	TYIXSUPPAJDGBU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008657
N=C1C(=C(O)/C/1=NCCCC(N)COC(=O)NC(CCCCN)COC(=O)N)O	CHEMBL193506	414.457	BKZPFMLMIDIMAC-WZINPDHYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008658
O(CC(N)CCCNC1=C(N)C(=O)C1=O)C(=O)NC(CCCCN)COC(=O)N	PC-id_6481652	414.457	FVMHPUSGILCYQW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008659
CC[N+](=C1C(=C(C1(C)[Si](C)(C)C)SC)[Si](C)(C)[Si](C)(C)C(C)C)CC	PC-id_134888162	414.892	DLIPJHXBZPTQKV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008660
C[Si](OC1(C=C([Si]1([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_101060052	414.921	KRZYGEUPTCZWHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008661
C[Si](OC1(C(=C[Si]1([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_101176151	414.921	WJFNITHKFZXFSY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008662
C[Si](O[C@]1(C(=C[Si]1([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_101350207	414.921	WJFNITHKFZXFSY-FQEVSTJZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008663
C[Si](OC1(C(=C([SiH]1[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(C)C	PC-id_102578795	414.921	KWFHXMDIUOTRSP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008664
C[Si](O[Si]1(C(=CC1(C(C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C)(C)C	PC-id_101060053	414.921	RCFNWQIFLWSWKU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008665
C[Si](O[Si@@]1(C(=C[C@]1(C(C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C)(C)C	PC-id_101176150	414.921	RCFNWQIFLWSWKU-CPJSRVTESA-N	00001100000000000000000000000000000000000000000000000000	06-01-008666
C[Si](O[Si@]1(C(=C[C@]1(C(C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C)(C)C	PC-id_101176152	414.921	RCFNWQIFLWSWKU-NBGIEHNGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008667
C[Si](O[Si@]1(C(=C[C@@]1(C(C)(C)C)[Si](C)(C)C)C(C)(C)C)[Si](C)(C)C)(C)C	PC-id_102578796	414.921	RCFNWQIFLWSWKU-CJFMBICVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008668
CCCC[Sn](C1=C(C(=O)C1=O)OCC)(CCCC)CCCC	SCHEMBL2213430	415.146	WAZAGMFQADEWGD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008669
OC1=C(C(=O)C1=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	PC-id_145728414	416.092	VNONUPILBPKGTO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008670
CC(C)(CCSCCCSCCC(C)(C)/C(=C/C(=O)N)/O)C1=CC(=O)N1O	PC-id_163700019	416.18	KWOPQDBKKHCDHG-SQFISAMPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008671
CC(=O)N[C@@H](CSC(=S)NCCCN(C)C1=C(N(C)C)C(=O)C1=O)C(=O)O	CHEMBL4514848	416.516	FWNJHPHURLLACN-JTQLQIEISA-N	00000100000000000000000000000000000000000000000000000000	06-01-008672
CCO[Si](OCC)(OCC)CCCN=C1C(=O)C(=C1[NH2+]CCC[N+](C)(C)C)[O-]	PC-id_101561907	416.608	XTSYKQWXJCJIGE-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-008673
CCCCCCCCC1=C(CC1)CCCCCCCCCCCCCCCCC=C	PC-id_90734769	416.766	TUJBYYDUOGOBRS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008674
CC(C)(CCSCCCSCCC(C)(C)/C(=C/C(=O)[NH3+])/O)C1=CC(=O)N1O	PC-id_163700018	417.188	KWOPQDBKKHCDHG-SQFISAMPSA-O	00001100000000000000000000000000000000000000000000000000	06-01-008675
CC1=CC[C@@H]1[C@](C(C)(C)CNC(=O)[C@@H](C(C)C)NC(=O)NCC(C)(C)O)(O)Cl	PC-id_148593251	417.239	NBBGDNBACYHUJN-BXTJHSDWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008676
BrC1(C(C(=C1C(C)(C)C)C(C)(C)C)C(Cl)(Cl)Cl)C(C)(C)C	PC-id_71400097	418.667	BDGKJFAGOJXVLC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008677
CCCCCCC(C1=C(C(=O)C1=O)C(CCCCCC)CCCCC)CCCCC	SCHEMBL19374387	418.695	NYRKPFNXENHZPY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008678
O=C(OC(C)(C)C)N[C@@H](C(=O)O)CCSSC1=C(C(=O)C1=O)OC(C)(C)C	PC-id_102420455	419.513	IOJWCDSRTRAFRC-SECBINFHSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008679
O=C(OC(C)(C)C)N[C@H](C(=O)O)CCSSC1=C(C(=O)C1=O)OC(C)(C)C	PC-id_102420462	419.513	IOJWCDSRTRAFRC-VIFPVBQESA-N	00000100000000000000000000000000000000000000000000000000	06-01-008680
C1(=C(C(C1(F)F)(F)F)SSSC1(C(C(C1(F)F)(F)F)(F)F)F)F	PC-id_91736100	420.261	GUUJOAXPTYPKGU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008681
P(=O)(OCC)(OCC)CCN(CCCCNC(=O)O)C1=C(OCC)C(=O)C1=O	PC-id_19738182	420.395	PWVHCTNLZPIECG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008682
CCOC1=C(C(=O)C1=O)NCCCCCCNC1=C(C(=O)C1=O)NCCCN(C)C	PC-id_135024810	420.503	XXGUMAWDNUDKQO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008683
CCCCCCCCCCCCCCCCCCNC1=C(C(=O)C1=O)NCC(=O)C	PC-id_144403639	420.628	NUHNXGFMGFADJL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008684
C(CCCC=O)CCCN(CCCCCCCC=O)CCCNC1=C(C(=O)C1=O)N	PC-id_153551330	421.294	NRUMYSMQBLVKBB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008685
COCC(C(C(C(C(COC1=NC=C1)OC)OC1=NC=C1)OC)OC1=NC=C1)OC	SCHEMBL8469535,PC-id_23213090	421.444	IEDCETBOHWLLME-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008686
COC(C(C(C(C(COC1=NC=C1)OC)OC1=NC=C1)OC)OC)COC1=NC=C1	PC-id_23213086,SCHEMBL8471915	421.444	LYQXIGGGLBTIEL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008687
CCCC[Sn](C1=C(CC1)Br)(CCCC)CCCC	PC-id_138978272	422.022	KLFVHRRIGSZQGP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008688
FC(F)(F)C1(C(=C(C1)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C)C(F)(F)F	PC-id_11373551	422.133	ZTZWTLOSIYXEBW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008689
FC1=CC(C(OCOCC(F)(F)C(F)F)(C(F)(F)F)C(F)(F)F)(C1)CC=C	PC-id_58854817	422.234	ZTJHIQLPOUDKIT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008690
CC(=C1C(=C(C1=C(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)C	PC-id_164887662	422.304	CDGVIGHGBYQCKD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008691
P(=O)(OCC)(OCC)CCN(CC(O)CNC(=O)O)C1=C(OCC)C(=O)C1=O	PC-id_19738164	422.367	FYGXAJDAPOBZTH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008692
CCCCCCCCCCCCCCCCCCCC1C(C2=C3C#CC3=C12)CCCC	PC-id_153353224	422.391	GDSPPWQWBSBYHY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008693
N#CCCC(C1=C(C(=O)C1=O)OC(C)C)(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	PC-id_101775973	422.472	OLMXZZIUOVERAO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008694
CCC(C1=C(CC1)OP(=O)(OC1=C(CC1)C(CC)C)OC1=C(CC1)C(CC)C)C	PC-id_87344091,SCHEMBL2149586	422.538	GBPDZBOTIIABNX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008695
CCCCC1=C(CC1)OP(=O)(OC1=C(CC1)CCCC)OC1=C(CC1)CCCC	PC-id_87344103,SCHEMBL2149606	422.538	CCXCKCRAWCJRRH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008696
CCCCCCCCCCCCCCCNC1=C(C(=O)C1=O)N(C)CC[N+](C)(C)C	PC-id_86293338	422.668	QTSAQHSQLXDPQC-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-008697
O=C1C(=C(NCCCCCCCCCCCCCCCC)C1=O)NCC[N+](C)(C)C	PC-id_76329188	422.668	QBUFFDFYLMAUPT-UHFFFAOYSA-O	00000100000000000000000000000000000000000000000000000000	06-01-008698
[Si](C(CC(CCCCC)C)C#CC1(O)C(=C(OC(C)C)C1=O)OC(C)C)(C)(C)C	PC-id_10550181	422.673	BKWXRPMAHXPPGM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008699
CCCC(=O)NC(CC(C1=C(C(=O)C1=O)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	PC-id_91579221	423.5	WIAFFWDETVXDAF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008700
CCCCCCCCCCCCCCCCC(CN(C1=PC=C1)C(=O)CCC)O	PC-id_139709789	423.612	RCZLXCYXNHDBGA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008701
FC(=C1C(=C(C1(F)F)F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F	PC-id_140118182	424.081	LHSOUPJNWMZEEV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008702
FC(=C1C(=C(C1(F)F)F)C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)F	PC-id_140118196	424.081	KEVGKSDPWZXKJW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008703
FC(=C1C(=C(C1(F)F)F)C(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)F	PC-id_140118181	424.081	AQBZWNKJWYLRSC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008704
FC(=C1C(=C(C1(F)F)F)C(C(C(F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)F	PC-id_140118189	424.081	JUCJMVQXCCRSEU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008705
CC(C1=C(C(C)(C)C)[Si](C1[Si](C(C)(C)C)(C)C)(C)[Si](C(C)(C)C)(C)C)(C)C	PC-id_101263089	424.926	SSUGZFGHJUEVBT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008706
CC(C)C[C@@H](C(=O)O[C@H](CC1(C=CC1C(C)C)C)C(=O)O)N(C)C(=O)OC(C)(C)C	PC-id_163888447	425.278	PZLQNFUGLDGTDM-POTGORPSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008707
CC(CC(C1=C(C(=O)C1=O)OC(C)C)(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C	PC-id_101369209	425.516	QGOUZZMZATWOAO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008708
CCC(C(C1=C(C(=O)C1=O)OC(C)C)(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C	PC-id_101369210	425.516	SPHURYFBSCFDKV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008709
FC(C1=C(CC1(C(F)(F)F)C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	PC-id_54369101	426.097	URWMOMJLJAMJRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008710
FC(C1=C(C(N1)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)F)(F)F	PC-id_101992830	427.085	BDPJSXFYMJKHPU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008711
CCCC[Sn](C1=C(C(=O)C1=O)OCC=C)(CCCC)CCCC	PC-id_19766708,SCHEMBL9467491	427.157	NUVLPUPLMNAFLA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008712
CCOC1(OCC)C(=O)C(=C1C(=S)NCCO[Si](C(C)(C)C)(C)C)CC(=C)C	PC-id_3005406,CoCoCo_5765135,NSC698085	427.673	CXTJAJDQXRSDNW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008713
CCCCC1=CCC1(C)CC1CC(C1)CC(N(C1CCC1)CCCC(C=CC)C)CC	SCHEMBL19649688	427.749	NAYCSKFWWXMQMW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008714
CC#C[C@H](CC(=O)O)[C@@H](C)[C@@H](C)C(C=C)OCC1(COC1)COC1=C(C[C@H]1F)Cl	PC-id_163600129	428.177	GWWNZDLMWLWTFN-RAIGLBDGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008715
CC(=C)/C(=CC(=C(/C)Cl)C)/N=C(C)N(C1=CC(C1)(C)CC(F)(F)F)C2(CCC2)C	PC-id_153345427	428.221	VBQSKCPQFPDGBX-VXFYZVLLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008716
O(C1(OCC)C(OCC)(OCC)C(=C1C)OC(=O)C(C)/C(=C/C)/OC(=O)CC)CC	PC-id_21577819	428.516	GFUFADHVHPHBHO-MFOYZWKCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008717
O(C1(OCC)C(OCC)(OCC)C(=C1C)OC(=O)C(C)C(=CC)OC(=O)CC)CC	PC-id_73803256	428.516	GFUFADHVHPHBHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008718
C1(=O)C(=C(OC(C)C)C1=O)[Sn](CCCC)(CCCC)CCCC	SCHEMBL2210513,MCULE-2357877641,ZINC22_169745207,EMOLS-id_313107220,PC-id_2736683	429.172	AMVLEBHYELFWJT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008719
CCCC[Sn](CCCC)(CCCC)C1=C(C(=O)C1=O)OCCC	SCHEMBL2209021,PC-id_87353929	429.172	SDMNILMWNDFJIW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008720
COC1=C(C(=O)C1=O)NCCCOCCOCCOCCCNC(=O)OC(C)(C)C	PC-id_101023003	430.493	RCLPDMKJODSKFW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008721
CCCCCCCCC1=C(CC1C)CCCCCCCCCCCCCCCCC=C	PC-id_91371179	430.792	PRGKKIQYLVHYAM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008722
C[Si](O[C@]1(C(=C[Si]1([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)(C)C	PC-id_101457050	430.995	VMQRCZSPTNYKCC-IBGZPJMESA-N	00001100000000000000000000000000000000000000000000000000	06-01-008723
CCCC[Sn](C1=C(C)C(=O)C1CC(O)O)(CCCC)CCCC	SCHEMBL9467338,PC-id_88467524	431.188	ZNAZINVRVNGROK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008724
OC(=O)CN(CC(=O)O)CCN(C1=C(O)C(=O)C1=O)CCN(CC(=O)O)CC(=O)O	PC-id_102145860	431.351	SNTTVHMBYQIHPT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008725
CC(=NC1=C(C(=O)C1=O)NC(=O)C(C)(C)NC1=C(C(=O)C1=O)NC(=O)NC)C(=O)NC	SCHEMBL6127986,PC-id_87946002	432.387	GOTZIAVGYISATQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008726
CCCCC/C=CC/C=CCCCCCCC[C@@H](CC1=C(C(=O)O1)CCCCCC)O	SCHEMBL9826921	432.679	FMSGIJVENYDWFX-PJPPLBPTSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008727
O1C(=C(CCCCCC)C1=O)C[C@@H](O)CCCCCCCC=CCC=CCCCCC	PC-id_67936205	432.679	FMSGIJVENYDWFX-VWLOTQADSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008728
O1C(=C(CCCCCC)C1=O)CC(O)CCCCCCCC=CCC=CCCCCC	PC-id_77381833	432.679	FMSGIJVENYDWFX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008729
O=C(OC(C)(C)C)N[C@@H](C(SSC1=C(C(=O)C1=O)OC(C)(C)C)(C)C)C(=O)O	PC-id_102420460	433.539	BUDGBIGOYHCTBD-CYBMUJFWSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008730
O=C(OC(C)(C)C)N[C@H](C(SSC1=C(C(=O)C1=O)OC(C)(C)C)(C)C)C(=O)O	PC-id_102420461	433.539	BUDGBIGOYHCTBD-ZDUSSCGKSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008731
CCC(C(=O)NC1=C(C(=O)C1=O)NC(C)C(=O)NC)NC1=C(C(=O)C1=O)NC(=O)NC	PC-id_164009754	434.155	UQDOHGCNQYRDBX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008732
CSC(C(N(C1=C(C(=O)C1O)N(P)P)I)(C)C)(C)C	PC-id_143353738	434.214	YINRSLOTEUOHSV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008733
P(=O)(OC)(OC)CCN(CCCNC(=O)OC(C)(C)C)C1=C(OCC)C(=O)C1=O	PC-id_10950141	434.421	JGUPTFNJPGNICO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008734
O=C1C(=C(NCCCN(C)C)C1=O)NCCCNC1=C(NCCCN(C)C)C(=O)C1=O	PC-id_76318300	434.532	NOEFNTKFROILMH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008735
CNC1=C(C(=O)C1=O)NCCCN(CCCCCCCC=O)CCCCCCCC=O	PC-id_153551479	435.31	UOKWYJGGZICPNA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008736
CCCCCCCCN(CCCCCCCC=O)CCCNC1=C(C(=O)C1=O)N(C)C	PC-id_155180184	435.346	IRABVQDMJGLGEI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008737
O(C1=C(OC(C)C)C(=O)C1(O)C#CCN(C(=O)OC(C)(C)C)C(=O)C=C(C)C)C(C)C	PC-id_10694174	435.511	PDFPJCZHERRCCL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008738
CCCCCCCCCCCCCCCCNC1=C(N(C)CCCN(C)C)C(=O)C1=O	CHEMBL4450115	435.686	QIULCGKKQYLDDV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008739
C1C=C([I-]1)C(CNC(=O)C/C=C(/CCC(=O)O)CC(=O)O)C=O	PC-id_147777230	436.026	PSFGUMUMMVDZSQ-LAFDYMOFSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008740
CC1=C(C(=CS(=O)C(Cl)(Cl)Cl)C1=CS(=O)C(Cl)(Cl)Cl)C	PC-id_135067474	437.017	IXGJQQDFAIQDDB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008741
C/C=C/1C(=C/C)C(=C1S(=O)C(Cl)(Cl)Cl)S(=O)C(Cl)(Cl)Cl	PC-id_102212189	437.017	OVESSBANSXZGJC-GGWOSOGESA-N	00001100000000000000000000000000000000000000000000000000	06-01-008742
ClC(Cl)(Cl)S(=O)C1=C(S(=O)C(Cl)(Cl)Cl)C(=CC)C1=CC	PC-id_86041239	437.017	OVESSBANSXZGJC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008743
CCCC(=O)NC(C(=O)NCCCNCCCCNCCCN)CC1=C(N)C(=O)C1=O	PC-id_101149502	438.564	KHIVHLSYUFFZKQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008744
CCCC[Sn](CCCC)(CCCC)OC1(C(=C(C1=O)C)C)C#CC	PC-id_134874024	439.21	ITVZCADHRSYRJN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008745
CC(=O)CCC(C1=C(C(=O)C1=O)OC(C)C)(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	PC-id_101775972	439.499	UHLLXEJHVVBIAJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008746
CCCC(=O)NC(CC(C(=O)OC(C)(C)C)C1(C(=C(C1=O)C)C)O)C(=O)OC(C)(C)C	PC-id_91100998	439.542	QWLSAISRFGLJOM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008747
CCCC(=O)NC(C(=O)NCCCNCCCCNCCCN)CC1=C(O)C(=O)C1=O	PC-id_101149501	439.549	ZHFLVWJRHXOOGE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008748
C(C1(C(=C(C1(F)F)F)C(C(C(F)F)(C(C(C(F)(F)F)F)(F)F)F)(F)F)F)F	PC-id_91602357	440.124	HCQKXPYBYLWTEH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008749
BrC(C(COC1=C(OCC(C(Br)(C)C)C)C(=O)C1=O)C)(C)C	SCHEMBL8100518,PC-id_57158254	440.167	RGLFCTICDUINRS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008750
BrC(C(OC1=C(OC(C(Br)(C)C)(C)C)C(=O)C1=O)(C)C)(C)C	PC-id_15375360,SCHEMBL8100516	440.167	CGMFGWMMVDUEEQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008751
CN1C(=C(C1(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F	PC-id_134934654	441.112	RJDUNGKDCIYXBX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008752
CCCCC([Sn]C1=C(C(=O)C1=O)OC(C)C)(CCCC)CCCC	PC-id_141158332	441.183	JAVBMAMXNXUABV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008753
CCOC1=C(C(=O)C1=O)NCCO[C@H]([C@@H](CO)O)OC([C@@H](O)C)CCP(=O)(O)O	SCHEMBL18652547	441.367	XFYVLGDIPIMAOB-HMYAFIJESA-N	00000100000000000000000000000000000000000000000000000000	06-01-008754
COC(C(C(C(COC(=O)N(C)C)OC)OC1=NC=C1)OC)C(COC1=NC=C1)OC	PC-id_23213089,SCHEMBL8470027	441.475	KIWILOXMBAPGFY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008755
N=C1C(=C(O)/C/1=NCCCC(N)COC(=O)NC(CCCN=C(N)N)COC(=O)N)O	CHEMBL194688	442.47	ITXPXQJPKRDVEA-VSROMEPZSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008756
NC(COC(=O)NC(COC(=O)N)CCCN=C(N)N)CCCNC1=C(N)C(=O)C1=O	PC-id_6481651,BindingDB_PC-id_6481651	442.47	PEGYFBWVNPWQBS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008757
CC(C)[Si](C#CC1=C(C(=O)C1=O)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C	PC-id_134885293	442.781	WNKVZYGYOWCVIT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008758
COC1C(=O)C(=C1NI)P(SC)I	PC-id_143356963	442.981	FYFJETNYMXVLQX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008759
CCOC1=C(C(=O)C1=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O	PC-id_148473835	443.154	MFMQOMMAGVXDKD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008760
CCCCOC1=C(C(=O)C1=O)[Sn](CCCC)(CCCC)CCCC	PC-id_87359244,SCHEMBL2240355	443.199	DBWPJZGGPLIJNW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008761
CCCC[Sn](C1=C(C(=O)C1=O)OC(C)(C)C)(CCCC)CCCC	SCHEMBL2241402,PC-id_87359385	443.199	PVXLWTRGQAOCNZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008762
CC(OC1=C(OC(C)C)C(=O)C1(O)C(C(=O)OC(C)(C)C)(NC(=O)OC(C)(C)C)C)C	PC-id_101369200	443.531	LZOLBMGRVZPLII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008763
C[Si](C)(C)C1=C(C(=O)C1=O)[Si](C)(C)CC[Si](C)(C)C1=C(C(=O)C1=O)[Si](C)(C)C	PC-id_134874513	450.824	VRBJJXLHFGZXSD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008785
OC(=O)[C@@H](CC1C=CC1(C)C(C)C)OC(=O)[C@@H](N(C(=O)OC(C)(C)C)C)CC(F)(C)C	PC-id_145192096	443.549	KHJMZXXXOZIRKS-GBXAEXGJSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008764
CCCCCCCCCCCC(S(=O)(=O)N)CCCC(C(=O)OCC)OC1=NC=C1	SCHEMBL9848843,PC-id_67941992	444.628	BNFRSFFDILMOJT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008765
CCCC[Sn](C1=C(C(=O)C1=O)OC(OC)C)(CCCC)CCCC	PC-id_139769378	445.172	HTTXHYWFXBFKQM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008766
CCC(C(CCCCC1=CC(C1)C)C)(I)I	SCHEMBL17339708,PC-id_118579374	446.149	ORELZDAYVFTINE-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008767
CCC(C(C(C(CCC1=CC(C1)C(C(CI)CC)CC)C)C)C)C	SCHEMBL18805018	446.492	OEMHFMNQPJABDL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008768
CCCC(=CC)C(=O)C(=O)NCC(CNC(=O)C(=O)C1CC(=C1)C)OC(=O)C1CC(C1)C	PC-id_89201785	446.537	KSEKGKOYMIRZNI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008769
CCC/C(=CC)/C(=O)C(=O)NCC(OC(=O)C1CC(C1)C)CNC(=O)C(=O)C1CC(=C1)C	SCHEMBL13922725	446.537	KSEKGKOYMIRZNI-OMCISZLKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008770
CCNC1=C(C(=O)C1=O)N/C(=C/C=CC(=C(O)/C)C(=O)NCCN(C(=O)N(C)C)CC)/C	PC-id_142180586	447.528	DBOYWIRFTPCVQK-MQAAAROYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008771
CCNC1=C(C(=O)C1=O)NCCCCC(C)N(CC)C2=C(C(=O)C2O)NCCCC(C)C	PC-id_155281292	448.305	WFKNSUXRHRRSKF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008772
CCOP(=O)(CCN(C1=C(C(=O)C1=O)OC)CCCNC(=O)OC(C)(C)C)OCC	SCHEMBL8065748,PC-id_53644915	448.448	AIQHRTICUNXSQA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008773
CCOC1=C(C(=O)C1=O)NCCCCCCCCCCCCNC1=C(C(=O)C1=O)OCC	PC-id_135021316	448.552	OIDMMPDAMGDWAB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008774
O=C1C(=C(NCCCCCCCCCCCC)C1=O)NCCCCCCCCCCCC	PC-id_15832463	448.725	IEWCFBYEVIHYGZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008775
CNC1=C(C(=O)C1=C)NCCCN(CCCCCCCC=O)CCCCCCCC(=O)O	PC-id_153551251	449.325	HLURWGYEHSRRHW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008776
CCCCCCCCN(CCCCCCCC=O)C1=C(C(=O)C1=O)NCCCCN(C)C	PC-id_153547853	449.362	WILJLNPCGMCMEX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008777
CCOC1=C(C(=O)C1=O)NCCCN(C)CCCNC1=C(C(=O)C1=O)NCCCN(C)C	PC-id_135024775	449.544	GANAIJLKUORJKX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008778
CCCCCCN(C1C(=C(C1=O)N(CCCCCC)CCCCCC)[O-])CCCCCC	PC-id_100985580	449.733	YCCOGTWKJJASDN-UHFFFAOYSA-M	00001100000000000000000000000000000000000000000000000000	06-01-008779
CCNC1=C(C(=O)C1=O)NCCCCC(C)N(CC)C2=C(C(=O)C2=O)NCCCSC	PC-id_155278367	450.23	CEGSLMLYFFEOQT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008780
OCCOCCOCCOC(=O)C=CC1=[Bi]C=C1	PC-id_142798484	450.241	MJZUVKXBEGAEIP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008781
CCCCCCCCCCCCCCCCCN(CCCN(C)C)C1=C(C(=O)C1=O)OC	PC-id_154666616	450.382	PGOXJNMBSOHRCO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008782
CCCCOC1=C(C(=O)C1=O)CCCCCC1(O)C(=O)C(=C1OCCCC)OCCCC	PC-id_22910851,SCHEMBL8640633	450.565	MCFUQXKWCTUZAR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008783
CCCCCCN(C1C(=C(C1=O)N(CCCCCC)CCCCCC)O)CCCCCC	PC-id_100985581	450.741	YCCOGTWKJJASDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008784
CCCN(CCC)CCCN(C)C1=C(C(=S)C1=S)C(C)(C)I	PC-id_155281057	452.082	HTYZOBKKIMLJGQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008786
BrC1=C(CCC2=C(Br)C3(C42CCC4)CCC3)C2(C31CCC3)CCC2	PC-id_101403318	452.266	QYTLFGSLFYSXCZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008787
CCCCOC1=C(C(=NC(CC(=O)N)C(=O)N)C1NC(CC(=O)N)C(=C)N)OCCCC	PC-id_165150129	452.275	DPIYVMAPAZQYIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008788
CCCCCCCNC1=C(C(=O)C1=O)NC(C(=O)NCC(=O)NCC(=O)O)CCC(C)C	PC-id_118067942,SCHEMBL16707343	452.544	OQQKENXRSNUUEQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008789
CCCC(=O)NC(C(=O)NCCCNCCCCNCCCN)CCC1=C(N)C(=O)C1=O	PC-id_101149507	452.591	SPBJEGZNXCWOTF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008790
S(C1=C(SC#C[Si](C)(C)C)C(=C1[Si](C)(C)C)[Si](C)(C)C)C#C[Si](C)(C)C	PC-id_10907973	452.972	GYJUPRBDVMQFCR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008791
CCCC(=O)NC(C(C1=C(C(=O)C1=O)OC(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	PC-id_101149511	453.526	VEBVZSDCUOSJOG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008792
CCCC(=O)NC(C(=O)NCCCNCCCCNCCCN)CCC1=C(O)C(=O)C1=O	PC-id_101149505	453.576	UGOAFHHRIMNBBD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008793
CCCC(=O)N[C@@H](C(=O)NCCCNCCCCNCCCN)CCC1=C(O)C(=O)C1=O	SCHEMBL13759828,PC-id_57755356	453.576	UGOAFHHRIMNBBD-QGZVFWFLSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008794
C(CO)C1=C(C(C1(C(F)(F)F)F)(F)F)OC1=C(C(C1(F)F)(C(F)(F)F)F)CCO	PC-id_91174881	454.208	BCZHWARGIRMMSN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008795
CCN1C(=C(C1(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F	PC-id_134933892	455.139	XBMPEMMNESNVIJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008796
COC(=O)CCC(C1=C(C(=O)C1=O)OC(C)C)(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C	PC-id_101775974	455.499	MELTWJKCPPBZSG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008797
CCCOC(CC1=C(C(C1C)C(=O)O[C@H]([C@@H](CCOC)C)C)/C=C/C[C@@H](CO)O)CCO	SCHEMBL18570982	456.613	QSQGHTINPKCLPT-NQRVBURKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008798
CCCCOC1(OCCCC)C(=C(C1(OCCCC)OCCCC)OC)OC(=O)COC	SCHEMBL11518370	460.601	HWGHHKCSGLKDOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008799
CCC(C(N(C1=C(I)C(=O)C1=O)I)(C)C)(C)C	PC-id_143363398	461.078	LUHLUCFCNGPBDM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008800
FC1(F)C(=C(C1(F)F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	PC-id_14249325	462.078	DGLFFETZMMWQGI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008801
FC1(F)C(=C(C1(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	PC-id_14249326	462.078	XHPJIIFEOQEVJU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008802
FC(C1=C(C(F)(F)F)C(C1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F	PC-id_139264064	462.078	FTCMQNZDAKSQPP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008803
FC(C(C1=C(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	PC-id_12563821	462.078	ZQJPYXWATAKINF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008804
FC(F)(C(C1=C(F)C(F)(F)C1(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F	PC-id_12563822	462.078	WQAHDWOHBRWVSA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008805
CCOC1=C(C(=O)C1=O)N(CCOP(OCC)OCC)CCCNC(=O)OC(C)(C)C	PC-id_143770896	462.474	PWEWEKANQBAASB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008806
CCOC1=C(C(=O)C1=O)N(CCP(=O)(OCC)OCC)CCCNC(=O)OC(C)(C)C	SCHEMBL4424435,PC-id_10813912	462.474	XBZUMNUSXXCVEJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008807
SC1=C(C(=S)C1=S)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	PC-id_145728415	464.289	MSOOCQQICFJHTE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008808
FC(F)(C1(N(C(C)(C)C)C(=C1C(=O)C(F)(F)F)NC(C)(C)C)C(F)(F)F)C(F)(F)F	PC-id_10718942	464.317	ZZSHZZMLKNWKFK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008809
CCCCCCCCCCCCCCCCCCCCCCC1C(C2=C3C#CC3=C12)CCCC	PC-id_153353214	464.438	HVZSFGJPFZVXOX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008810
O=C1C(=C(C1=NCCC[N+](C)(C)C)[NH2+]CCC[NH2+]C1=C([O-])C(=O)C1=NCCC[N+](C)(C)C)[O-]	PC-id_101729549	464.601	FBSFYDMKDASNET-UHFFFAOYSA-P	00000100000000000000000000000000000000000000000000000000	06-01-008811
ClC(Cl)(Cl)S(=O)C1=C(S(=O)C(Cl)(Cl)Cl)C(=C(C)C)C1=C(C)C	PC-id_12186956	465.07	OZXZKVZDSVEAKJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008812
CCCNC(=O)CCC(=O)N(CCCCCNC1=C(I)C(=O)C1=O)O	PC-id_139452118,SCHEMBL21316091	465.283	ZMMGGJDJHSAGHQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008813
CC(=O)CC[C@H](C1=CCN1CC(=O)CCCCCCCCCCCCCCC(=O)O)C(=O)O	PC-id_163643137	465.309	IFZZCURDXCVSKT-HSZRJFAPSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008814
CCCCCCCCN(CCCCCCCC=O)CCCNC1=C(C(=O)C1=O)NCCOC	PC-id_153551423	465.357	MBDGXLJGDWGCAD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008815
C=[I]C=[I]NC(C(=N)N)C1(C(C(=N1)N)(N)N)N	PC-id_163876961	465.959	PPSNXOXKSMAIQM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008816
C1(C(=C(C1(F)F)OC1=C(C(C1(F)F)F)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)F	SCHEMBL2023679,PC-id_87325238	466.118	AYXSWOBEBGILOL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008817
CCCCCCCCCCC[C@@H](O[Si](C(C)(C)C)(C)C)CC1=C(C(=O)O1)CCCCCC	SCHEMBL10603940,PC-id_70401999	466.812	LYSUAHQYEYJHCW-XMMPIXPASA-N	00001100000000000000000000000000000000000000000000000000	06-01-008818
[Si](OC(CCCCCCCCCCC)CC1=C(CCCCCC)C(=O)O1)(C(C)(C)C)(C)C	PC-id_77839361	466.812	LYSUAHQYEYJHCW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008819
CC(C)(C)C(=CC1=C(C(=NC(C)(C)C)C1=NC(C)(C)C)C=C(C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_136908276	468.8	HZYQPTUJTORQPD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008820
CCCC[Sn](CCCC)(CCCC)OC1(C(=C(C1=O)C)OC(C)C)C#C	PC-id_134874025	469.236	AEXYKHHLDMXJHU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008821
C[C@H](C1=C(N([C@@H]1C#C[Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C(C)(C)C	PC-id_165366341	469.268	GGROWQDDZIRLSQ-RTBURBONSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008822
O=CCNC(=O)CCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCN(N1C=CC1=O)O	SCHEMBL20960434,PC-id_138599226	469.449	SFYZKCXLIKGZHO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008823
CC/C(=C(COC(=O)C[C@H](C1C=CC1(O)CC(=O)O)NC(=O)C)/C)/[C@H](C(=O)C([C@@H](O)C)C)O	SCHEMBL19077697	469.525	ORCPBKQFRDIFNP-YGDGXEJGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008824
SCC(COC(CC(OC(=O)C(=O)CCC1=C(O)CC1(C)CC)(CC)CC)(CC)CC)C	PC-id_145063749	470.705	AVEKDAGZTFLZRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008825
CC(OC1=C(OC(C)C)C(=O)C1(O)C(C(=O)OC(C)(C)C)(C(C)C)NC(=O)OC(C)(C)C)C	PC-id_101369204	471.584	OKBXGMMVXWIVRH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008826
CC(=C)C(C)(CC(=O)OCCC(=C)C(C)(CC(=O)OC1C=C(C1C(C)(C)C)O)C(=C)C)C(=C)C	PC-id_88360314,SCHEMBL8756123	472.657	VOMOCYSYCZEKFJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008827
C[Si](OC1(C(=C[Si]1([Si](C)(C)C)[Si](C)(C)C)[Si](C(C)(C)C)(C)C)C(C)(C)C)(C)C	PC-id_102009315	473.075	YSOASFPXRAADCC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008828
C[Si](O[C@@]1(C(=C[Si]1([Si](C)(C)C)[Si](C)(C)C)[Si](C(C)(C)C)(C)C)C(C)(C)C)(C)C	PC-id_102289898	473.075	YSOASFPXRAADCC-JOCHJYFZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008829
FC1(C(C2=C(F)C(F)(F)C2(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F	PC-id_12563820	474.089	OFYOFRCBBNISLM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008830
FC(=C1C(=C(C1(F)F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F	PC-id_140118156	474.089	OFRUJCYSCPAZOD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008831
FC(=C1C(=C(C1(F)F)F)C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)F	PC-id_140118147	474.089	USNXLUCBKRPHEK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008832
O(CCCNC1=C(NCCOCCOCCNC)C(=O)C1=O)CCOCCOCCCNC	PC-id_58731561	474.591	QZSWDABAJYOODM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008833
[Sn](C1(OCC)CC(=C1)O[Si](C)(C)C)(CCCC)(CCCC)CCCC	PC-id_10027902	475.359	ZAQMCZAKFMYPEX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008834
CNC(=O)NC1=C(C(=O)C1=O)NC(C(=O)NC1=C(C(=O)C1=O)NC(C(=O)NC)(CC)C)(CC)C	SCHEMBL14188258,PC-id_71095306	476.483	NVGUEZOBVKMMQQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008835
CCOC1=C(C(=O)C1=O)N(CCP(=O)(OCC)OCC)CCCCNC(=O)OC(C)(C)C	PC-id_10504762,SCHEMBL9206242	476.501	OGTZUCWCAOFAMK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008836
O=C(NCCCCCCCCCCCC)C1=C(CC1)C(=O)NCCCCCCCCCCCC	PC-id_85552742	476.778	RSXHBDWNSBDBTI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008837
CCOC1=C(C(=O)C1=O)N(CC(CNC(=O)OC(C)(C)C)O)CCP(=O)(OCC)OCC	PC-id_10552641,SCHEMBL9203237	478.474	SKVQUYXQAOAZHV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008838
COC(C(C(C(C(COC1=NC=C1)OC)OC1=NC=C1)OC)OC1=NC=C1)COC(=O)N(C)C	SCHEMBL8471374,PC-id_57030762	478.496	HGPPUHDKGDYMTF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008839
OC(C(OC1=NC=C1)C(O)(COC1=NC=C1)C)(C(OC1=NC=C1)C(O)(COC(=O)N(C)C)C)C	PC-id_57097966	478.496	WHVMQSYQBLGCDI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008840
CCCCCCCCCCCC1=C(C(O1)CCCCCCCC(=O)OCC(CCCC)CC)C	SCHEMBL19683245	478.79	OHTXSPSHRZQHAS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008841
CSC(C(N(C1=C(I)C(=O)C1=O)I)(C)C)(C)C	PC-id_143352304	479.116	PKOPVLWJLIEKRX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008842
OOOOOOOOOOOCOOOOOOOOOOOONCCC1CC=C1	SCHEMBL16511735,PC-id_117907134	479.171	ZXXNIXAORJMCFD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008843
CCCCNC(=O)CCC(=O)N(CCCCCNC1=C(C(=O)C1=O)I)O	PC-id_134546662,SCHEMBL20194091	479.31	OGWRELXXCSDZCV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008844
CCOC1=C([O-])C(=O)C1=NCCC[N+](CCCNC1=C(C(=O)C1=O)[NH2+]CCC[N+](C)(C)C)(C)C	PC-id_101729544	479.613	JDVZWBGYRIFSRZ-UHFFFAOYSA-P	00000100000000000000000000000000000000000000000000000000	06-01-008845
CCCCCCCC(=O)C1C(=CO1)NC(=S)C(=S)NC2=COC2C(=O)CCCCCCC	PC-id_161583609	480.212	WRFATUONRDJHRS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008846
O=C(NC(CC(=O)OC(C)(C)C)C)CNC(=O)C(NC(=O)C1=CCC1)CCC(=O)OC(C)(C)C	PC-id_143625366	481.582	PSOYQMLXKKYCEB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008847
CCCC(=O)NC(C(=O)NCCCNCCCCNCCCN)CC1=C(C(=O)C1=O)OC(C)C	PC-id_101149506	481.629	YJXMOYPDDXXBBX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008848
CCCCN1C(=C(C1(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F	PC-id_134934478	483.192	DSXJWSYDCKGXJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008849
O(C(=O)C(NC(=O)OC(C)(C)C)(C1=C(OC(C)C)C(=O)C1=O)CC(=O)OC(C)(C)C)C(C)(C)C	PC-id_11620002	483.552	FGLKFOMMIFVTAA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008850
CC(C)C(C)(C(=O)OC)C(=O)OCCCCCCOC(=O)CCC1(C=C(C1C(=O)OC)OC)C	PC-id_155183632	484.267	KKXBPLYRMQOGSZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008851
CCOC(=O)C(NC1=C(NC(C(=O)OCC)CCC(=O)OCC)C(=O)C1=O)CCC(=O)OCC	PC-id_139616360	484.497	MLWQCLHTDZSQMI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008852
CCCC(C(=O)NC(CS)C(=O)NC(CC=O)C(=O)OC)NC(=O)C(C)NC(=O)C1=CCC1	PC-id_88853325	484.566	XMRBHFNITNCBTM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008853
CCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)CC=O)CS)NC(=O)[C@@H](NC(=O)C1=CCC1)C	SCHEMBL11911825	484.566	XMRBHFNITNCBTM-TUUVXOQKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008854
O1C(=C(CCCCC[CH2+])C1=O)C/C(=[O+]/C(=C(N=C=O)CC(=C)[CH2])[O-])/CCCCCCCCCC[CH2-]	PC-id_53629000	484.647	JWLMSNWYPYXAJH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008855
CC(CC(C1(O)C(=O)C(=C1OC(C)C)OC(C)C)(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C	PC-id_101369201	485.611	XSTURVQHKHXMRB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008856
CCC(C(C1(O)C(=O)C(=C1OC(C)C)OC(C)C)(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C	PC-id_101369202	485.611	UJQQEPHICJTJFG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008857
CCC(=C)C(C(C(C1=CCC1I)C)(CC)I)C(C)C	SCHEMBL18967055	486.213	WJWLDPLXLUMNDN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008858
CC(C)CCC(C(=O)NCC(=O)NCC(=O)O)NC1=C(C(=O)C1=O)NCCCCCCOS	PC-id_163959984	486.215	SGPVOHJQPGGWHS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008859
CCCCCCCCCCCC(=[O+]C(=C(CC(=C)[CH2])N=C=O)O)CC1=C(C(=O)O1)CCCCC[CH2+]	PC-id_135993268	486.663	BPFPDFXLSPZHHQ-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-008860
CC(C)(C)[Si](C)(C)C#CC1=C(C(=O)C1=O)C#CC#CC1=C(C(=O)C1=O)C#C[Si](C)(C)C(C)(C)C	PC-id_134885003	486.706	KKLYLMFILWALAG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008861
P(=O)(OC(C(C)(C)C)(C(C)(C)C)CC(CCCC(CNC1=C(OCC)C(=O)C1=O)C)C)([O-])[O-]	PC-id_85855860	487.567	KSIVYIHOSIPTOJ-UHFFFAOYSA-L	00000100000000000000000000000000000000000000000000000000	06-01-008862
O1C(=C(CCCCCC)C1=O)C/C(=[O+]/C(=C(N=C=O)CC(=C)[CH2])O)/CCCCCCCCCCC	PC-id_53629001	487.671	BEKHCUMQBQYGDX-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-008863
FC(F)(F)C1(C(=C(C1=CC(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_16110802	488.116	GVSTXYBRBUMYFZ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008864
CCN(CCNC1=C(C(=O)C1=O)C(C)(C)C)CCCC(C1=C(C(=O)C1=O)NCCN(CC)C)(C)C	PC-id_139376634,SCHEMBL21230843	488.663	DURMGTLQTWSMOU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008865
C[Si](C1=C(C(=C1C#C/C=CC#C[Si](C)(C)C)C#C/C=CC#C[Si](C)(C)C)[Si](C)(C)C)(C)C	PC-id_101122148	488.959	RWLBUSRAIGMDRU-VMNXYWKNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008866
BrC(Br)(Br)C1C(O)(C(=C1C(C)(C)C)C(C)(C)C)C(C)(C)C	PC-id_85870158	489.124	DPLHFGHDBMRJOG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008867
P(=O)(OC(C(C)(C)C)(C(C)(C)C)CC(CCCC(CNC1=C(OCC)C(=O)C1=O)C)C)(O)O	PC-id_85855861	489.582	KSIVYIHOSIPTOJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008868
C=CCS(=O)C1=CC(=O)N1C(=C(SC(=O)C)SC(=O)C)C(=O)OCOC(=O)C(C)(C)C	PC-id_20275796,SCHEMBL10990686	489.583	BYAHJMYLFWHFHX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008869
SCCCCCCCCCCCOCCOCCOCCOCCNC1=C(C(=O)C1=O)OC	PC-id_101452063	489.666	SJAQXMHQWMGYDR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008870
CC=N/C=C(/N=C(C(=C)NCC(=C)/C=CC(=C(NC1=C(N)C(=C)C1=C)/CC)F)C/C=C(/C(=C)C)C)C	PC-id_143344314	489.671	MJGHFRQMCUZUCN-AGSXLOELSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008871
CC(C)[Si](C#CC#CC1=C(C(=O)C1=O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C	PC-id_134885294	490.824	DYGOIVFSQBVKOX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008872
CCCCCCCCCCCC1=C(C(O1)CCCCCCC/C(=C/C)/OCC(CCCC)CC)C	SCHEMBL20935447,PC-id_138577124	490.844	QXPCHUMSBNCMEQ-YSGASBTCSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008873
CCCCCCCCCCCCCCCCC[C@@H](O[Si](C(C)(C)C)(C)C)CC1OC=C1CC#C	PC-id_140368731	490.877	OUSKOGQIQNVQKU-IDCGIGBZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008874
CCCSCC(=O)NCCNC1=C(C(=O)C1=O)NCCSCCCOCCOCCOC	PC-id_57724765,SCHEMBL13818314	491.665	MPZLKCKXLGVCOE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008875
CCCCCCC1=C(OC1=O)CC(CCCCC=CCCCCC)OC(=O)C(CC(C)C)NC=O	PC-id_89319590	491.703	GYMXIALOXXRIFY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008876
CCCCC/C=CCCCCC(CC1=C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O	SCHEMBL14384795	491.703	GYMXIALOXXRIFY-SEYXRHQNSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008877
C/C=CC(=C(/C=C)C1=CC(C1OCCNC(=O)OC(C)(C)C)(C)C)OCCNC(=O)OC(C)(C)C	PC-id_164139376	492.32	YUVDMMSFCMTYTF-ZPIUPWHUSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008878
CN(C)CCNC1=C(C(=O)C1=O)NCCCN(CCCCCCCC=O)CCCCCCCC=O	PC-id_153551419	492.368	XUDCEGOMIWKUKA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008879
IN(C(C(C)(C)C)(C)C)C1=C(C(=O)C1=O)N(I)P	PC-id_143358553	494.048	SNWKYVXLWBYDNV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008880
C/C(=C
/OC1CC1=C(CO1)CCC1=C(CO1)CCC1=C(CO1)C)/CC1O/C/1=C(CC1OC1=C(C)C)/C	PC-id_145818075	494.619	LDAKENDMROBNEE-LZUTUTKMSA-N	00101100000000000000000000000000000000000000000000000000	06-01-008881
NCCCNCCCCNCCCNC(=O)C(NC(=O)CCC)CCC1=C(C(=O)C1=O)OC(C)C	PC-id_101149504	495.655	FBHPNZUQGCBZIW-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008882
O=C(OC(C)(C)C)N[C@H](C(=O)NC(=O)C1=CCN1C(C(=O)C(C(F)(F)F)(F)F)C(C)C)C(C)C	PC-id_53777254,SCHEMBL6737948	499.472	DSTILHHJGFHGGY-LSLKUGRBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008883
ICCCC1=C(CC1)/C(=C(CCC[C@H](CC)I)/C)/CC	SCHEMBL14900130	500.24	JZTFNRXCMXOKMZ-GDGUIRGDSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008885
C[Si](OC1(C(=C([Si]1([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)(C)C	PC-id_101080429	503.177	VTQRAHUDVZWQJG-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008886
C[Si](O[C@@]1(C(=C([Si]1([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)(C)C	PC-id_101468122	503.177	VTQRAHUDVZWQJG-JOCHJYFZSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008887
C[Si](O[Si]1(C(=C(C1(C(C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)(C)C	PC-id_101080432	503.177	WCSKVGVNEPUYNC-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008888
C1CC(=C1)NCCCC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)O	PC-id_163963377	503.223	SJMCWNLMLYYKGO-AJNGGQMLSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008889
CCOC1=C(C(=O)C1=O)NCCCCCCCCCCCCNC1=C(C(=O)C1=O)NCCCN(C)C	PC-id_135021314	504.662	WBUFGOUQMSNKGZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008890
CN(C)CCCNC1=C(C(=O)C1=O)NCCCN(C)CCCNC1=C(C(=O)C1=O)NCCCN(C)C	PC-id_86293341	505.653	VIIVKCFVVZWFPG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008891
CC(NC(=O)C(C(C)C)C)CC(NC1=C(C(=O)C1=O)NC(CC(NC(=O)C(C(C)C)C)(C)C)(C)C)C	SCHEMBL19245625	506.721	XSLXZXRJTIWEQC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008892
CCCN(CCN(C1=C(C)C(=S)C1=O)C)CCCC1=C(C(=O)C1=S)N(CCN(CCC)CC)C	PC-id_139377010,SCHEMBL21231264	506.767	IWIJXJLWHGTXES-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008893
CCCCCCCCCOC(=O)CCCCCCCN(CCCC)CCCNC1=C(C(=O)C1=O)NC	PC-id_164063040	507.404	WIPJZHVGXNCAQY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008894
CCC(C(N(C1=C(C(=O)C1=O)N(I)P)I)(C)C)(C)C	PC-id_143360112	508.074	GCKFVOPRCNIWHB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008895
CC[C@@H](C(C(=O)[C@@H](/C(=C(/COC(=O)C[C@H](C1C=CC1(O)CC(=O)O)NC(=O)C)C)/C(C)C)O)(C)C)O	SCHEMBL17772892,PC-id_121354676	511.605	XVCZVDHXSDGDLN-VKZNRKGWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008896
CC(=C)C(=O)OCC(CNCCOCCOCCNCC(COC(=O)C(=C)C)S#CC1C#CO1)O	PC-id_163657070	512.219	IREDODSRNPDPKH-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008897
CCCCCCCCCCCCCCCCC[C@H](O[Si](C(C)(C)C)(C)C)CC1=C(C(=O)O1)SC	PC-id_67753763,SCHEMBL9032137	512.904	QHAJMOFHYVTYFB-VWLOTQADSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008898
S(C1=C(OC1=O)CC(O[Si](C(C)(C)C)(C)C)CCCCCCCCCCCCCCCCC)C	PC-id_77348426	512.904	QHAJMOFHYVTYFB-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008899
CCCC(=O)NC(C(C1(O)C(=O)C(=C1OC(C)C)OC(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	PC-id_101149510	513.621	RZYZEBWDRKXWQA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008900
O=C1C(=C(C1=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O	PC-id_140551490	516.107	RWCJXKJEUHAYMK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008901
P(=O)(OC(C)(C)C)(OC(C)(C)C)CCN(CCCNC(=O)CC(C)(C)C)C1=C(OCC)C(=O)C1=O	PC-id_9806589	516.608	SBRQYLDRKLBXCD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008902
C(CS(=O)(=O)F)OC1=C(C(C1(F)F)(F)F)OC1=C(C(C1(F)F)(F)F)OCCS(=O)(=O)F	PC-id_90743470	518.302	PENHOVJCSFGUGM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008903
O=C1C(=C(C1=NCCC[N+](C)(C)C)[NH2+]CCCCCCC[NH2+]C1=C([O-])C(=O)C1=NCCC[N+](C)(C)C)[O-]	PC-id_101729551	520.708	GAAKKNFEVWVRMG-UHFFFAOYSA-P	00000100000000000000000000000000000000000000000000000000	06-01-008904
CN(CCCNC1=C(C(=O)C1=O)NCCCN(C)C)CCCNCC(=O)C(=O)C(=C)NCCCN(C)C	SCHEMBL16255543,PC-id_117711221	521.696	IGFSTLBSFBYZQH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008905
[O-]C1=C(C(=NCCC[N+](C)(C)C)C1=O)NCCC[NH2+]CCC[NH2+]C1=C([O-])C(=O)C1=NCCC[N+](C)(C)C	PC-id_101729553	521.696	FJTUXWPXMLHHHP-UHFFFAOYSA-P	00000100000000000000000000000000000000000000000000000000	06-01-008906
FC1=C(C(/C/1=C(/C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_12710296	524.096	LMWNUTUHPWLPJX-IWQZZHSRSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008907
FC1=C(C(/C/1=C(C(F)(C(F)(F)F)C(F)(F)F)/C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_21732860	524.096	LMWNUTUHPWLPJX-HNQUOIGGSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008908
FC1=C(C(C1=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C(F)(F)F	PC-id_73827355	524.096	LMWNUTUHPWLPJX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008909
FC1(F)C(C(=C1C(F)(C(F)(F)F)C(F)(F)F)C(=C(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	PC-id_12600360	524.096	ZJNUROZMIWLUEV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008910
FC1(F)C(C(=C1C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	PC-id_13108420	526.112	VHMYIEOQWVZRGJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008911
C1(=C(C(C1(F)F)(F)F)OC1=C(C(C1(F)F)(F)F)C(C(=C(F)F)F)(F)F)C(C(=C(F)F)F)(F)F	PC-id_87138314,SCHEMBL657349	526.12	LTHOIOIFPIZMMM-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008912
CCC(=C(C)COC(=O)CC(C1C=CC1(CC(=O)NCC(=O)O)O)NC(=O)C)C(C(=O)C(C)C(C)O)O	PC-id_89458443	526.577	UTAPPUKNPDVXAX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008913
CC/C(=C(COC(=O)C[C@H](C1C=CC1(O)CC(=O)NCC(=O)O)NC(=O)C)/C)/[C@H](C(=O)C([C@@H](O)C)C)O	SCHEMBL14803648	526.577	UTAPPUKNPDVXAX-PNXZLNPSSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008914
C[Si](C#CC1=C([Si](C)(C)C)[Si](C1(O[Si](C)(C)C)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C	PC-id_101156494	527.198	TWQADKGYKRQOCX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008915
C[Si](C#CC1=C([Si](C)(C)C)[Si]([C@]1(O[Si](C)(C)C)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C	PC-id_101863397	527.198	TWQADKGYKRQOCX-DEOSSOPVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008916
C[Si](C#CC1=C([Si](C)(C)C)[Si]([C@@]1(O[Si](C)(C)C)C(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C	PC-id_102289896	527.198	TWQADKGYKRQOCX-XMMPIXPASA-N	00001100000000000000000000000000000000000000000000000000	06-01-008917
BrC1=C(Br)C(C1(Br)Br)(Br)Br	PC-id_101078470	527.467	WWEOYCHDXRSLRP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008918
CCN(CC)C(=C)/C=CC(=C
/C(=C(C1=O)/C(=C/C=C(C)/N(CC)CCOC(=O)CCC(=O)OC)/C)O)C=O	PC-id_165172868	528.284	OXBJHQZZJNEVOV-KTKVBEQBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008919
O1C(C(=C1CCCCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)O)O)(C)C	SCHEMBL12835152,PC-id_68396082	530.651	NCCPOWQZGITFPL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008920
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1CC=C1	PC-id_101019139	530.994	GTVKRAGLKAKVER-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008921
CN(C)CCCN(C)C1=C(NCCCN(C)CCCNC2=C(N(C)CCCN(C)C)C(=O)C2=O)C(=O)C1=O	CHEMBL4542963	533.707	YWSYACHGQGKHBV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008922
CN(CCCCCNC(=O)CCC(=O)N(CCCCCNC1=C(C(=O)C1=O)NCCS(=O)(=O)O)O)O	PC-id_139297531,SCHEMBL21140699	535.612	YLABBCSVRMFBIE-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008923
CN(CCCNC1=C(C(=O)C1=O)NCCC[N+](C)(C)C)CCCNC1=C(C(=O)C1=O)NCCC[N+](C)(C)C	SCHEMBL16255527,PC-id_76321989	535.722	CKRHIOFCDSJTJC-UHFFFAOYSA-P	00000100000000000000000000000000000000000000000000000000	06-01-008924
CN(CCC[NH2+]C1=C([O-])C(=O)C1=NCCC[N+](CCCN=C1C(=O)C(=C1[NH2+]CCC[N+](C)(C)C)[O-])(C)C)C	PC-id_101729546	535.722	OBQYLTVRDYFFDH-UHFFFAOYSA-P	00000100000000000000000000000000000000000000000000000000	06-01-008925
CCN=C(N=C(C(=C)NCC(C=CC(/C(=C(/CNC1=C(C)C(=C)C1=C)C=C)/F)C)C)C=CC(C(=O)NC)C)C	PC-id_143346596	535.739	NOXLHUVKVWIKGW-JTFSPPJKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008926
CSN(C1=C(C(=O)C1=O)N(I)I)I	PC-id_143356534	535.868	NVNUOCAWKGXUMS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008927
CCCCCCCCCCCCN(CC(CCCCCCCCCC1(C)N(C)C(=C1NC)C(=O)NC)O)C	PC-id_141831484	536.876	PEVBMCUCMILQMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008928
C=C(CO[N+](OC1CC1OCC1CO1)(OC1C=C1OCC1CO1)OC1=CC(C1)OCC1CO1)OCC1CO1	PC-id_163958262	540.208	NERWSXNPSUKJAY-UHFFFAOYSA-N	00111100000000000000000000000000000000000000000000000000	06-01-008929
O(CC(CCCCN)CC(=O)CN(CCCCN)C(=O)OCC(N)CCCNC1=C(N)C(=O)C1=O)C(=O)N	PC-id_73072864	541.641	FSXXNSSCHIYGOG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008930
O(C[C@@H](CCCCN)CC(=O)CN(CCCCN)C(=O)OC[C@@H](N)CCCNC1=C(N)C(=O)C1=O)C(=O)N	PC-id_11720850	541.641	FSXXNSSCHIYGOG-IRXDYDNUSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008931
FC(F)(C(F)(F)COC1=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)C1=O)C(F)(F)C(F)F	PC-id_71393217	542.169	BGPZYHQWHZNYCX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008932
N=C1C(=C(O)/C/1=N/CCC[C@H](N)COC(=O)N(CCCCN)CC(=O)N[C@H](CCCCN)COC(=O)N)O	CHEMBL371627	542.629	DXBFJDVWQMVXGW-RGPWNJDCSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008933
NCCCCN(C(=O)OC[C@H](CCCNC1=C(N)C(=O)C1=O)N)CC(=O)N[C@@H](COC(=O)N)CCCCN	BindingDB_PC-id_6481650,PC-id_6481650	542.629	ACWYTEJVBUOKDA-JKSUJKDBSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008934
O(CC(N)CCCNC1=C(N)C(=O)C1=O)C(=O)N(CC(=O)NC(CCCCN)COC(=O)N)CCCCN	PC-id_78413008	542.629	ACWYTEJVBUOKDA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008935
FC1(F)C(C(=C1C(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	PC-id_13108421	544.103	RNCOVVGZQYFWDQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008936
FC1(F)C(C(=C1C(F)(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	PC-id_12600358	544.103	SIJSVMFQIOBRTQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008937
CCOC1=C(C(=O)C1=O)NCCOCCOCCOCCNC(=O)CCC(P(=O)(O)O)P(=O)(O)O	SCHEMBL13228131,PC-id_59449910	546.4	NTAKLCKZLNMDEQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008938
CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC)CCCNC1=C(C(=O)C1=O)N	PC-id_153551403	549.451	RHFLMZXHUZGDEX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008939
O=C(OC(C)(C)C)N[C@H](C(=O)NC(=O)C1=CCN1C(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(C)C)C(C)C	SCHEMBL8428087,PC-id_54305087	549.48	SGXWPSQJKNHBOV-LSLKUGRBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008940
C=C/C=C(C(=C(CNC(=C)C(=C)/C=C(/C(=C)NC(C(=C)C=C)CCC/C=C/C=C)C)/C)C)/CNC1=C(C)C(=C)C1=C	PC-id_143346720	549.832	VURXCYSZNIYWSZ-MKUCYLRWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008941
BrC1(C(C(=C1C(C)(C)C)C(C)(C)C)C(Br)(Br)Br)C(C)(C)C	PC-id_85870154	552.02	HMSULFCWHFZIKA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008942
CCCCCC1CC(=N1)CCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O	PC-id_90974745	554.676	WLBAERVBCOYZCJ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008943
CCCCCCCCCCCCSC(=S)SC(C(=O)OCC1=CC[C@H]1COC(=O)CCCC#C)(C)C	PC-id_102456577	554.868	BGMBLYFWZSCKHB-DEOSSOPVSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008944
IC1=C(I)C(=C1I)I	PC-id_10941502	555.661	IJWKMWYFGBYNDX-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008945
CSC(CC(N(C1=C(N(I)I)C(=O)C1(C)O)P)(C)C)(C)C	PC-id_143351505	556.182	OLBMIEOEZUWUGT-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008946
C(C(C(=O)N)NC1C(C(=C1NC(CC(=O)N)C(=O)N)NC(CC(=O)N)C(=O)N)N(CC(=O)N)C(=O)N)C(=O)N	PC-id_165150128	556.247	VQOPQNRSCUERIU-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008947
O=C(NC1C(CC1)C(=O)OC)C1C(NC(=O)C2C(C(=O)NC3C(CC3)C(=O)NC3C(CC3)C(=O)OC)C=C2)CC1	PC-id_76445530	558.623	HCTSBLKWDABHTF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008948
O=C(N[C@@H]1[C@@H](CC1)C(=O)OC)[C@H]1[C@@H](NC(=O)[C@@H]2[C@H](C(=O)N[C@@H]3[C@@H](CC3)C(=O)N[C@@H]3[C@@H](CC3)C(=O)OC)C=C2)CC1	PC-id_56950627	558.623	HCTSBLKWDABHTF-FOXDZRQKSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008949
CN(C)C1=C(N(C)CCCNC(=S)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)C1=O	CHEMBL4554334	560.644	IDGICUGXDIMFAE-RYUDHWBXSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008950
CCCCCCCCCCCCCCCCNC1=C(NCCCCCCCCCCCCCCCC)C(=O)C1=O	PC-id_102527411	560.937	LYUKJLQYZALCCB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008951
BrC1=C(Br)SC1(C(=C(C#N)C#N)C1(SC(=C1Br)Br)C)C	SCHEMBL11150270,PC-id_20497882	561.935	UFIMPDPYAQODHD-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008952
CN(CCCNC(=C)C(=O)C(=O)CNCCCNC1=C(C(=O)C1=O)NCCCN(I)C)C	SCHEMBL16255531,PC-id_117711216	562.445	ILMKPAXWERXNMQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008953
CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC)CCCNC1=C(C(=O)C1=O)NC	SCHEMBL20100701,PC-id_134463551	563.855	MWGOHRWESNZJKB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008954
S=C1C(=C(C1=S)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S	PC-id_140551492	564.304	IJCRJJGFHGJLRM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008955
C=C(C(CC(=O)N)NC1C(=C(C1=NC(CC(=O)N)C(=O)N)NC(CC(=O)N)C(=O)N)NC(CC(=O)N)C(=O)N)N	PC-id_165150127	566.267	WDXQGOHNUSQCDI-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008956
CN(C(CCC(=O)O)C(=O)O)C(=O)NC(CCCCNC(=O)CCCCCCC1=CC(N1)CCCC[CH2+])C(=O)O	PC-id_90696959	567.695	WESRGNDVGUGETO-UHFFFAOYSA-O	00001100000000000000000000000000000000000000000000000000	06-01-008957
C(C(C(=O)N)NC1C(=C(C1=NC(CC(=O)N)C(=O)N)NC(CC(=O)N)C(=O)N)NC(CC(=O)N)C(=O)N)C(=O)N	PC-id_165150130	568.247	SLDSFBXNAXRZGV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008958
CC[C@@H](C(C(=O)[C@@H](/C(=C(/COC(=O)C[C@H](C1C=CC1(O)CC(=O)NCC(=O)O)NC(=O)C)C)/C(C)C)O)(C)C)O	PC-id_117824916,SCHEMBL16403910	568.656	ARMURZUNFHVWQL-LPEHWSRQSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008959
CCCCCC1C=C(N1)CCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)N(C)C(CCC(=O)O)C(=O)O	PC-id_90696960	568.703	JCEBYKYFCKSJMR-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008960
OC(=O)CC[C@@H](C(=O)N[C@H](C(=O)NC(C1=C(O)C(=O)C1=O)CC(=O)O)C(C)C)NC(=O)[C@@H](NC(=O)C)CC(=O)O	PC-id_122370308	570.503	HKLRWTRFPGKCRB-JTPOOZHKSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008961
CC(C)(C)OC(=O)NCCOCCOCC(C1=C(C(=O)C1=O)C(COCCOCCNC(=O)OC(C)(C)C)N)N	SCHEMBL15062557,PC-id_89653278	574.664	HGLLWIWNXWWQIT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008962
CCCCCCCCCCCCC1=C(CCCCCCCCCCCC)P=C1CCCCCCCCCCCC	PC-id_139685371	574.987	KSSHBAULZOLYKS-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008963
S=C1C(=C(N(CCCCCCCC)CCCCCCCC)C1=O)N(CCCCCCCC)CCCCCCCC	PC-id_71343547	577.003	GMGWBBKWHYXCJV-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008964
CCCCCCCCCCCOC(=O)CCCCCN(CCCCCCCC=O)CCCNC1=C(C(=O)C1=O)NC	PC-id_153547930	577.445	MECKADNYGNNWKG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008965
CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC=O)CCCNC1=C(C(=O)C1=O)NC	PC-id_153551456	577.445	HDGXIDGAGFJFJH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008966
CCCCCCCCCOC(=O)CCCCCCCN(CCCNC1=C(C(=O)C1=O)N(C)C)CCCCCCCC	SCHEMBL18665211	577.882	PPUMXQYZSYOMSA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008967
ClC(C1=C(C(F)(F)C1(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	PC-id_12600359	578.548	WITAXELTLLEYDP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008968
C=C(CCC(=C)N(CCCCCNC1=C(C)C(=O)C1=C)C)NCCCCCCCC(=C)NCCCCCN(C(=C)C)C	PC-id_139515359,SCHEMBL21387550	581.918	HJLKDZBSDWLWPK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008969
O=C1[N+](CCCCCCCCC=CCCCCCCCC)(CCCCCCCCC=CCCCCCCCC)C=C1C	PC-id_60077412	585.022	PGCAPVJAVFBREA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008970
OCCC(CC(CC(C1C=CC1[C@H](NC(=O)C)CC(=O)OC/C(=C(/[C@H](C(=O)C([C@H](CC)O)(C)C)O)CC)/C)O)O)O	PC-id_121354677,SCHEMBL17772893	585.727	ZLXTXAWWUICIFH-ONXHHGLWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008971
FC1=C(C(C(C(C(C(C(C2=C(F)C(C2(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C1(F)F)(F)F	SCHEMBL9339543,PC-id_19806865	586.115	CHJNBBWKFLPFOY-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008972
FC(C(Cl)(F)F)(C1=C(C(=C1C(C(Cl)(F)F)(F)F)C(C(Cl)(F)F)(F)F)C(C(Cl)(F)F)(F)F)F	PC-id_101028318	589.915	XNPFDZBZQKOARO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008973
FC(F)(C1=C(CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	PC-id_57257588	590.146	KTNKMNCXBICARO-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008974
CCCCCC/C=CCOC(=O)CCCCCCCN(CCCCCCCC(=O)O)CCCNC1=C(C(=O)C1=O)NC	PC-id_135329678,SCHEMBL20500783	591.822	SLFVJQGXLSXUFN-RGEXLXHISA-N	00000100000000000000000000000000000000000000000000000000	06-01-008975
CCCCCCC=CCOC(=O)CCCCCCCN(CCCNC1=C(C(=O)C1=O)NC)CCCCCCCC(=O)O	SCHEMBL21461672,PC-id_139581694	591.822	SLFVJQGXLSXUFN-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008976
CCCCCCCCC(OC(=O)CCCCCCCN(CCCNC1=C(C(=O)C1=O)NC)CC)CCCCCCCC	SCHEMBL18971289	591.908	SLQPJSCFZAXKMR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008977
NC1=C(C(=O)C1=O)NS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F	PC-id_101508033	594.201	KSGVKBILEZAKLT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008978
ClCCCCCC1(C(C(=C1CCCCCCl)F)(CCCCCCl)CCCCCCl)CCCCCCl	PC-id_57019613,SCHEMBL8085541	594.971	YZMHGQGWVKKAOV-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008979
CCO[P+](C1=C(C(=C1[P+](OCC)(OCC)[O-])[P+](OCC)(OCC)[O-])[P+](OCC)(OCC)[O-])(OCC)[O-]	PC-id_101199794	596.419	LKVUCHPOQYYXSQ-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008980
CC(C)C(C(=O)N(C(C(C)C)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)C1=NC=C1)NC(=O)OC(C)(C)C	PC-id_88128775	597.471	VCTXJDJKBPIQII-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008981
O=C(OC(C)(C)C)N[C@H](C(=O)N(C(C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C)C)C(=O)C1=NC=C1)C(C)C	SCHEMBL7330063	597.471	VCTXJDJKBPIQII-LSLKUGRBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008982
O=C(OC(C)(C)C)N[C@H](C(=O)NC(=O)C1=CCN1C(C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C)C)C(C)C	PC-id_53731999,SCHEMBL8428427	599.487	CONMVIIDOGYYGD-LSLKUGRBSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008983
FC(C(C(C1=C(OC2=C(C(C(C(F)(F)F)(F)F)(F)F)C(C2(F)F)(F)F)C(C1(F)F)(F)F)(F)F)(F)F)(F)F	SCHEMBL2260135	602.114	LUDTYXRURWIQMN-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008984
CCCCCCCCC(OC(=O)CCCCCCCN(CCCNC1=C(C(=O)C1=O)NC)CCC)CCCCCCCC	PC-id_145328607	605.935	LUUHIVRNBHTSGZ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008985
CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)[O-])CCCNC1=C(C(=O)C1=O)N(C)C	PC-id_150882571	606.449	KWIGBJXLCDBIHF-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-008986
CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)O)CCCNC1=C(C(=O)C1=O)N(C)C	PC-id_150882572	607.456	KWIGBJXLCDBIHF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008987
IS(CC1=CCC1)(I)(I)I	SCHEMBL14592596	607.8	HYBVULMWQOQBTK-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008988
CCCN(CC)CCCCNC1=C(C(=S)C1=S)C(C)(C)CCCN(CCC)CCCCNC2=C(C(=S)C2=S)C	PC-id_155281056	608.307	JIVKTJWGUYDGCO-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008989
CC(C(C(N(C1=C(C(=O)C1=O)N(I)I)I)(C)C)(C)C)C	PC-id_143351927	616.016	IKVAQQINYHJQOP-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008990
CCCCCCCCCCCCCCCCCCNC1=C(NCCCCCCCCCCCCCCCCCC)C(=O)C1=O	PC-id_101965742	617.044	ZKWOIDKYCJOEPA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008991
CCCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC=O)CCCNC1=C(C(=O)C1=O)NC(C)(C)C	PC-id_153551259	619.492	XIDNBASSSNZFIH-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008992
CSC(C(N(C1=C(C(=O)C1=O)N(I)I)I)(C)C)(C)C	PC-id_143356513	620.027	ZSWABGKCVFWRGB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008993
CCCCCCCCC(CC)OC(=O)CCCCCCCN(CCCCCCCC(=O)[O-])CCCNC1=C(C(=O)C1=O)NC	PC-id_150602271	620.464	ISCXDGZPJHGETB-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-008994
CCO[Si](CCCNC1=C(C(=O)C1=O)NCCCN(C)CCCNC1=C(C(=O)C1=O)NCCCN(C)C)(OCC)OCC	PC-id_135024808	624.845	WNKVPBCAWFRNNG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008995
FC(F)(C1=C(C(C1C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F	PC-id_57185538	626.127	WNUPRRCHXJQMRF-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-008996
P(=O)(OC(C(C)(C)C)(C(C)(C)C)CC(CCCC(CNC1=C(NCCCCCCCCCCCC)C(=O)C1=O)C)C)([O-])[O-]	PC-id_85855863	626.848	ZJVTZRATDZUBID-UHFFFAOYSA-L	00000100000000000000000000000000000000000000000000000000	06-01-008997
P(=O)(OC(C(C)(C)C)(C(C)(C)C)CC(CCCC(CNC1=C(NCCCCCCCCCCCC)C(=O)C1=O)C)C)(O)O	PC-id_85855864	628.863	ZJVTZRATDZUBID-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008998
CCOC1=C(C(=O)C1=O)CCCCOCCOCCOCCN(CC(=O)CCCCOCCOCCOCCCN)C(=O)C	PC-id_146970563	630.373	AMIOHWFCFYGXGB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-008999
CC(=O)N(CCCOCCOCCOCCCNC1=C(C(=O)C1=O)NC)CC(=O)NCCCOCCOCCOCCCN	PC-id_163597366	631.379	GUPJGVBELGPSNJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009000
CCCCCCCCC(CCC)OC(=O)CCCCCCCN(CCCCCCCC=O)CCCNC1=C(C(=O)C1=C)NCC	PC-id_153551415	631.529	YMBKHAZOZRIJNP-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-009001
CC(CCCCCC(C1=C(CC1)[C@H](C(C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCNC(C)(C)C)CCCNC(=O)N)N)C)O)C	PC-id_139446576,SCHEMBL21309550	638.882	JNHYGDKKZAPOBV-ACHNDXBHSA-N	00001100000000000000000000000000000000000000000000000000	06-01-009002
O=C(CCC(=O)N(CCCCCNC1=CC(=O)C1=O)O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O	PC-id_139297412,SCHEMBL21140561	640.726	UWRABZHRCVLFQD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009003
O(CCCCC1=C(OCC)C(=O)C1=O)CCOCCOCCCN(CC(=O)CCCCOCCOCCOCCCN)C(=O)C	PC-id_58232812	644.794	MFPJKRQTHBEFEA-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009004
C[Si](OC1(C(=C([Si]1([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)(C)C)/C=C/[Si]([Si](C)(C)C)(C)C)C(C)(C)C)(C)C	PC-id_101765939	645.523	BSLVCTPAUZTVNP-WCWDXBQESA-N	00001100000000000000000000000000000000000000000000000000	06-01-009005
CCOC1=C(C(=O)C1=O)NCCCOCCOCCOCCCNCC(=O)NCCCOCCOCCOCCCNC(=O)[O-]	PC-id_153876364	647.351	UVCUGACENUHMPC-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-009006
CCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCC)(C[N+](C)(C)C)OC1=CP=[C-]1	PC-id_140043729	647.994	IQVHIKOPRMQEMA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-009007
CCOC1=C(C(=O)C1=O)NCCCOCCOCCOCCCNCC(=O)NCCCOCCOCCOCCCNC(=O)O	PC-id_153876365	648.358	UVCUGACENUHMPC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009008
CCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCC)(C[N+](C)(C)C)OC1=CP=C1	PC-id_140043730	649.002	UICCTGSNHALYMA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-009009
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)[C@]1(C)OC1)CC(C)C)[C@H](O)C)[C@H](CC)C)NC(=O)CCCC(=O)N1CC=C1)C	PC-id_102127825	649.819	VOOHBAKJMXPVFM-SZSDCFCHSA-N	00101100000000000000000000000000000000000000000000000000	06-01-009010
O=C(CCC(=O)N(CCCCCNC1=C(C)C(=O)C1=O)O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O	SCHEMBL21140444,PC-id_139297362	654.752	XRAXNBRLEHHIRM-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009011
CCO[Si](CCCNC1=C(C(=O)C1=O)NCCC[N+](C)(C)CCCNC1=C(C(=O)C1=O)NCCC[N+](C)(C)C)(OCC)OCC	PC-id_135024809	654.914	RXFAJGVGNYATAL-UHFFFAOYSA-P	00000100000000000000000000000000000000000000000000000000	06-01-009012
O=C1C(=C(CCCC)C1=O)CCCCOCCOCCOCCCN(CC(=O)CCCCOCCOCCOCCCN)C(=O)C	PC-id_58232820	656.848	FQFLXIPFHJSQBB-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009013
CCCCCCCCC(CCCCCCCC)CCCCCCCN(CCCCCCCC=O)CCCCNC1=C(C(=O)C1=O)NC	PC-id_153547793	659.596	QJWBGVBBKGAOIY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009014
CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCCCCCCC)CCNC1=C(C(=O)C1=O)NC	PC-id_153547961	661.576	ZXHPTVIUZDANLQ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009015
ON(CCCCCNC1=C(OC)C(=O)C1=O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)C	PC-id_53349085	670.752	BSEUZCKTDLTWKU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009016
CCCCCCCCC(CCCCCCCC)CCCCCCCN(CCCCCCCC=O)CCCNC1=C(C(=O)C1=O)NCCO	PC-id_153551285	675.591	ULHGDPLMSVTTQC-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009017
CCCCCCCCN(CCCNC1=C(C(=O)C1=O)NC)CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC	SCHEMBL18665364	676.068	KJLMVVQJHFQCFI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009018
FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)NC1=C(NS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)C1=O)F	PC-id_101508035	676.255	SDZMKQKEKPKKLS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009019
CC([Si](C(C)(C)C)(C1=C(C(=C1[Si](C(C)(C)C)(C(C)(C)C)C)[Si](C(C)(C)C)(C(C)(C)C)C)[Si](C(C)(C)C)(C(C)(C)C)C)C)(C)C	PC-id_122227057	677.437	ULXRZKKAJCVYET-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-009020
C=CCC(NC(=C)C/C(=C/C(=C)C(=C)NCC(=C=CC)/C=CC(=CCNC1=CC(=C)C1C)F)/N(C(=C)OC)C(=C)C)CCC/C=C(/C(=C)C)C	PC-id_143343423	680.98	IZAQEFQBKAXYMC-KNGKJFQWSA-N	00001100000000000000000000000000000000000000000000000000	06-01-009021
IN(C(C(S)(C)C)(C)C)C1=C(C(=O)C1=O)N([Tl])I	PC-id_143356322	683.48	BJACWVOYQUOURI-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-009022
CCOC1=C(C(=O)C1=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)C)O)O)O	PC-id_121291216,SCHEMBL17696533	684.778	MYQWFOKZKGDAMY-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009023
O=C1C(=C(NCCCN(C)C)C1=O)NCCN(CCNC1=C(NCCCN(C)C)C(=O)C1=O)CCNC1=C(NCCCN(C)C)C(=O)C1=O	PC-id_56651103	686.845	QQSNLJZWYRKFIF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009024
CCOC1=C(C(=O)C1=O)NCCCOCCOCCOCCCN(CC(=O)NCCCOCCOCCOCCCNC(=O)[O-])C(=O)C	PC-id_153725500	689.361	FCVAFUHWLHOJNF-UHFFFAOYSA-M	00000100000000000000000000000000000000000000000000000000	06-01-009025
CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCCCCCCC)C1=C(C(=O)C1=O)NCCCN(C)C	PC-id_153547717	689.607	OIWVDBOPAIIFHU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009026
CCOC1=C(C(=O)C1=O)NCCCOCCOCCOCCCN(CC(=O)NCCCOCCOCCOCCCNC(=O)O)C(=O)C	PC-id_153725501	690.369	FCVAFUHWLHOJNF-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009027
O(CCCCCC(=O)CCCCOCCOCCOCCCCC(=O)OC(C)(C)C)CCOCCOCCCCC1=C(OCC)C(=O)C1=O	PC-id_58232796	700.897	FYPFVEXSRCQHQU-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009028
CCCCCCCCC(OC(=O)CCCCCCCN(CCCNC1=C(C(=O)C1=O)NC)CI)CCCCCCCC	SCHEMBL18971291	703.778	VRUQDYGDETUZIT-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009029
CCCCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCCCC)(C[N+](C)(C)C)OC1=CP=[C-]1	PC-id_139891288	704.101	LLOCDWFYPVGVHL-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-009030
CCOC1=C(C(=O)C1=O)NCCCOCCOCCOCCCNCC(=O)NCCCOCCOCCOCCCNC(=O)OC(C)(C)C	PC-id_86647727,SCHEMBL3800842	704.849	HDRMDTJCZFJVOS-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009031
CCCCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCCCC)(C[N+](C)(C)C)OC1=CP=C1	PC-id_139891289	705.108	LSUVFLCSAICHPW-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-009032
CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OOC(=O)C1=C(C(=O)C1=O)/C=C/C=C/C=C/C=C/C=C/CCCCCCCCC	PC-id_141056593	708.965	FTUFJJDEXWBMPV-WMMQFAQQSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009033
CCCCCCCCC(CCCCCCCC)OC(=O)CCCCCCCN(CCCCCCCC=O)CCCN(C)C1=C(C(=O)C1=O)N(C)C	PC-id_153547938	717.602	JYKUFXJRXPUPCI-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009034
O=C1C(=C(NCCN(CCNC2=C(NCCC[N+](C)(C)C)C(=O)C2=O)CCNC2=C(NCCC[N+](C)(C)C)C(=O)C2=O)C1=O)NCCC[N+](C)(C)C	PC-id_56651102	731.949	XONVDXLHEPOTLG-UHFFFAOYSA-Q	00000100000000000000000000000000000000000000000000000000	06-01-009035
CCCCCCCC(CCCCCC)OC(=O)CCCCCCCN(CCCCCCCC(=O)OCCCCC)C1=C(C(=O)C1=O)NCCN(C)C	PC-id_155278400	733.597	VUOUPKULLVVBCR-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009036
CCCCCCC(CC)OC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCC)CCCCC)CCCNC1=C(C(=O)C1=O)NC	PC-id_155278428	733.597	DUDXBPXRKLKLBX-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009037
CCCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCCC)CCCCCC)CCCNC1=C(C(=O)C1=O)N	PC-id_155278527	733.597	MLRYHKDRCXZWGG-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009038
CCCCC1(C=CC1C(=O)NCCOCCOC(=O)C(COC(=O)C(Br)(C)C)(COC(=O)C(Br)(C)C)C)C(C(C=O)C)C	SCHEMBL21441718,PC-id_139563636	739.53	VEAWFIFMYSECJA-UHFFFAOYSA-N	00001100000000000000000000000000000000000000000000000000	06-01-009039
O(CCCCC1=C(OCC)C(=O)C1=O)CCOCCOCCCN(CC(=O)CCCCOCCOCCOCCCCC(=O)OC(C)(C)C)C(=O)C	PC-id_58232790	743.922	TWEZHJNOQBUXMK-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009040
CCOC1=C(C(=O)C1=O)NCCCOCCOCCOCCCN(CC(=O)NCCCOCCOCCOCCCNC(=O)OC(C)(C)C)C(=O)C	SCHEMBL3797524,PC-id_87576263	746.886	OBGPWKVKXRHTGJ-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009041
CCCCCCCCCCOC(=O)CCCCCN(CCCCCCCC(=O)OC(CCCCC)CCCCCC)CCCNC1=C(C(=O)C1=O)NC	PC-id_155278318	747.613	PYBXCUMJZDWELD-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009042
CCCCCCCOC(=O)CCCCCCCN(CCCCCCCC(=O)OC(CCCC)CCCCC)CCCNC1=C(C(=O)C1=O)N(CC)CC	PC-id_155278316	747.613	WCRQUCVAYWNLRL-UHFFFAOYSA-N	00000100000000000000000000000000000000000000000000000000	06-01-009043