Paper,CID,InChIKey,SMILES,Compound_in_Massbank
1,9777,YPJUNDFVDDCYIH-UHFFFAOYSA-N,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,yes
1,75921,CXZGQIAOTKWCDB-UHFFFAOYSA-N,C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O,yes
1,67542,PXUULQAPEKKVAH-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
1,67818,ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
1,9554,SNGREZUHAYWORS-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
1,67821,UZUFPBIDKMEQEQ-UHFFFAOYSA-N,C(=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,yes
1,9555,PCIUEQPBYFRTEM-UHFFFAOYSA-N,C(=O)(C(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)(F)F)O,yes
1,77222,SIDINRCMMRKXGQ-UHFFFAOYSA-N,C(=O)(C(C(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)(F)F)(F)F)O,yes
1,67545,CXGONMQFMIYUJR-UHFFFAOYSA-N,C(=O)(C(C(C(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)(F)F)(F)F)(F)F)O,yes
1,67822,RUDINRUXCKIXAJ-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
1,62406,ITMCEJHCFYSIIV-UHFFFAOYSA-N,C(F)(F)(F)S(=O)(=O)O,yes
1,67815,JGTNAGYHADQMCM-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,yes
1,75922,ACEKLXZRZOWKRY-UHFFFAOYSA-N,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,yes
1,67734,QZHDEAJFRJCDMF-UHFFFAOYSA-N,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,yes
1,67820,OYGQVDSRYXATEL-UHFFFAOYSA-N,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,yes
1,74483,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,yes
1,67636,HYWZIAVPBSTISZ-UHFFFAOYSA-N,C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,yes
1,165359961,LOCNMEHHTKPHHG-UHFFFAOYSA-N,C(C(C(=O)O)(F)F)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F,no
1,87064728,LZEKQYOCMLLEJH-UHFFFAOYSA-N,C(C(C(=O)O)(F)F)(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)F,no
1,163324081,FXKAFEFAPQFHKH-UHFFFAOYSA-N,CN(CC(=O)O)S(=O)(=O)C(C(F)(F)F)(F)F,no
1,22286935,SKGBGOQHXBAKKO-UHFFFAOYSA-N,CN(CC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,no
1,139596548,PCJKVWPGABCQGW-UHFFFAOYSA-N,CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F,no
1,87481295,YGKAWLSSJSOXNM-UHFFFAOYSA-N,CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,no
1,162396544,LPJOBWYEYHXLOK-UHFFFAOYSA-N,CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,no
1,22286931,QNDHIRFIMVNHBN-UHFFFAOYSA-N,CN(CC(=O)O)S(=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,yes
1,162396499,YMUUIGFOSCRZFV-UHFFFAOYSA-N,CN(CC(=O)O)S(=O)(=O)C(C(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)(F)F)(F)F,no
1,21692167,FQKBJSUFBIZAKR-UHFFFAOYSA-N,C(C(F)(F)F)(C(F)(F)S(=O)(=O)N)(F)F,no
1,10958205,FUVKFLJWBHVMHX-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F,yes
1,69785,RRRXPPIDPYTNJG-UHFFFAOYSA-N,C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,yes
1,10507011,AYLOUUCBACYHAB-UHFFFAOYSA-N,C(C(=O)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,yes
1,119688,VIONGDJUYAYOPU-UHFFFAOYSA-N,C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,yes
1,3016044,ALVYVCQIFHTIRD-UHFFFAOYSA-N,C(CS(=O)(=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,yes
1,23136180,AJMAYLFJZQYRHN-UHFFFAOYSA-N,C(CS(=O)(=O)O)C(C(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)(F)F)(F)F,no
1,76553,VFOJXEHRTNGBDB-UHFFFAOYSA-N,C1(C(C(C(C(C1(F)F)(F)F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,no
1,163196,MNVKTKIHXLQSLM-UHFFFAOYSA-N,C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)S(=O)(=O)O,no
1,163145,AGFWEBMALSMQMX-UHFFFAOYSA-N,C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)S(=O)(=O)O,no
1,139595509,IYAFCGZBAFKFSQ-UHFFFAOYSA-N,C(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,no
1,139596985,RVODMNZNWMCSJP-UHFFFAOYSA-N,C(C(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,no
1,139595277,HPNVMLVFTBDYAB-UHFFFAOYSA-N,C(C(C(C(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,no
1,596595,TWIYDBQRYCWOAU-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)O)(F)F)(C(F)(F)F)(F)F,no
1,22186453,VWOZJJGGBQGKFY-UHFFFAOYSA-N,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)O)(F)F)(F)F,no
1,110548,DFCYBFLXCKGZML-UHFFFAOYSA-N,C(C(C(C(C(F)(F)S(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,no
1,22568738,GGOUUEMCWBTDMT-UHFFFAOYSA-N,C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,yes
1,15099039,SZVGIJOITCPDPM-UHFFFAOYSA-N,C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F,no
1,18134,CKRXVVGETMYFIO-UHFFFAOYSA-N,CCN(CC(=O)O)S(=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,yes
1,14632790,ABFCFCPCGMHSRX-UHFFFAOYSA-N,C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O,yes
1,2783376,HLBRGVKRZQSQHB-UHFFFAOYSA-N,C(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O,yes
1,10994425,XTBXSCIWOVSSGB-UHFFFAOYSA-N,C(C(=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,yes
1,77797,CCEKAJIANROZEO-UHFFFAOYSA-N,CCNS(=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,yes
1,138396354,OGNPKTMXAFCAFU-UHFFFAOYSA-N,C(=C(C(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)(F)F)F)C(=O)O,no
1,14550408,ZDYYWMSLMLTXDM-UHFFFAOYSA-N,C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,yes
1,22457140,QGTOYUMAYUVGTO-UHFFFAOYSA-N,C1=CC(=CC=C1OC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)S(=O)(=O)O,no
1,3018003,UTWCWKUZICRKOA-UHFFFAOYSA-N,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,no
1,71329203,GASXCMFGMORIFO-UHFFFAOYSA-N,CC(=O)C(=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F,no
1,89771814,CZZCSZXXFSVVLD-UHFFFAOYSA-N,C1=CC=C2C=NC(=CC2=C1)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O,no
1,238389,ZHJANTJICQVKOI-UHFFFAOYSA-N,CC(=O)C(C(F)(F)F)(F)F,no
2,656816,ZKLREJQHRKUJHD-JKSUJKDBSA-N,CCCCCCCCCCCCC[C@H]([C@H](CO)N)O,no
2,14756407,WMUMHAZHWIUBPN-UONOGXRCSA-N,CCCCCCCCCCC[C@H]([C@H](C)N)O,no
2,3247037,KFQUQCFJDMSIJF-DLBZAZTESA-N,CCCCCCCCCCCCCC[C@H]([C@H](CO)N)O,no
2,5283987,RFZOTNNDUHYGNN-RQBLKUNCSA-N,C[C@H](/C=C/C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,no
2,6540,WTLBZVNBAKMVDP-UHFFFAOYSA-N,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,yes
2,14757418,CQKNELOTFUSOTP-HMTIOLNVSA-N,CCCCCCCCC/C=C/CCC[C@H]([C@H]([C@H](CO)N)O)O,no
2,9548808,YDZIJQXINJLRLL-NSHDSACASA-N,CCCCCCCCCC[C@@H](C(=O)O)O,no
2,5281794,OQWKEEOHDMUXEO-BQYQJAHWSA-N,CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC,yes
2,47346,AMLDBWWQKYLAHJ-UHFFFAOYSA-N,CC(C)CCCCCCCCCCCCNC(=O)C,no
2,1930,FATBGEAMYMYZAF-UHFFFAOYSA-N,CCCCCCCCC=CCCCCCCCC(=O)N,yes
2,20393,DJDSLBVSSOQSLW-UHFFFAOYSA-N,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O,yes
2,3014032,SBUKOHLFHYSZNG-UHFFFAOYSA-N,CCCCCCCCCCCCN1CC(OC(C1)C)C,no
2,2554,FFGPTBGBLSHEPO-UHFFFAOYSA-N,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,yes
2,5312508,JIWBIWFOSCKQMA-LTKCOYKYSA-N,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,yes
2,33741,TVYLLZQTGLZFBW-ZBFHGGJFSA-N,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,yes
2,4463,NQDJXKOVJZTUJA-UHFFFAOYSA-N,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,no
2,6993120,GJNDXQBALKCYSZ-RYUDHWBXSA-N,CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N,no
2,3878,PYZRQGJRPPTADH-UHFFFAOYSA-N,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,yes
2,130829,UWJUQVWARXYRCG-UHFFFAOYSA-N,CN(C)CC1CCCCC1(C2=CC(=CC=C2)O)O,no
3,6077,NOSIYYJFMPDDSA-UHFFFAOYSA-N,CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C,yes
3,33613,LSQZJLSUYDQPKJ-NJBDSQKTSA-N,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)O)C,yes
3,6249,AVKUERGKIZMTKX-NJBDSQKTSA-N,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C,yes
3,2162,HTIQEAQVCYTUBX-UHFFFAOYSA-N,CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN,yes
3,2249,METKIMKYRPQLGS-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,yes
3,3080589,LVXYAFNPMXCRJI-UHFFFAOYSA-N,C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=CC=CC=N3,no
3,9782,UREBDLICKHMUKA-DVTGEIKXSA-N,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,yes
3,2369,NWIUTZDMDHAVTP-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O,no
3,2442,OJGDCBLYJGHCIH-UHFFFAOYSA-N,CN(CC1=C(C(=CC(=C1)Br)Br)N)C2CCCCC2,yes
3,2519,RYYVLZVUVIJVGH-UHFFFAOYSA-N,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,yes
3,71739,BQXQGZPYHWWCEB-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O,no
3,2581,PUXBGTOOZJQSKH-UHFFFAOYSA-N,CC(C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O,no
3,2585,OGHNVEJMJSYVRP-UHFFFAOYSA-N,COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,no
3,21743,FMZXNVLFJHCSAF-DNVCBOLYSA-N,C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N,no
3,30699,UQLLWWBDSUHNEB-CZUORRHYSA-N,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O,no
3,44187,GCFBRXLSHGKWDP-XCGNWRKASA-N,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O,no
3,5464355,YWKJNRNSJKEFMK-PQFQYKRASA-N,CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCCC5)C(=O)[O-],no
3,6328657,ZBHXIWJRIFEVQY-IHMPYVIRSA-N,CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)O,yes
3,27447,ZAIPMKNFIOOWCQ-UEKVPHQBSA-N,CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)SC1)C(=O)O,yes
3,2726,ZPEIMTDSQAKGNT-UHFFFAOYSA-N,CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl,yes
3,54675777,DHPRQBPJLMKORJ-XRNKAMNCSA-N,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O,no
3,2764,MYSWGUAQZAJSOK-UHFFFAOYSA-N,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,yes
3,446598,KDLRVYVGXIQJDK-AWPVFWJPSA-N,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl,no
3,18087,ZDPIZLCVJAAHHR-UHFFFAOYSA-N,CC1=C(C(=O)C(=C(N1)C)Cl)Cl,yes
3,6098,LQOLIRLGBULYKD-JKIFEVAISA-N,CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,no
3,71335,QMLVECGLEOSESV-RYUDHWBXSA-N,CN1C[C@@H]2C[C@H]1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F,yes
3,29112,JHAYEQICABJSTP-UHFFFAOYSA-N,CCCCCCCCCCOC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OCC)OCC,yes
3,5743,UREBDLICKHMUKA-CXSFZGCWSA-N,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C,yes
3,21453,LDBTVAXGKYIFHO-UHFFFAOYSA-N,COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC,yes
3,3033,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,yes
3,18381,YFAGHNZHGGCZAX-JKIFEVAISA-N,CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,no
3,56206,NOCJXYPHIIZEHN-UHFFFAOYSA-N,CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F,yes
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3,4044,HYYBABOKPJLUIN-UHFFFAOYSA-N,CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C,yes
3,54677470,ZRVUJXDFFKFLMG-UHFFFAOYSA-N,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O,yes
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3,8982,GPXLMGHLHQJAGZ-JTDSTZFVSA-N,CCOC1=C(C2=CC=CC=C2C=C1)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,yes
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3,71301,KOHIRBRYDXPAMZ-UHFFFAOYSA-N,C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,no
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3,6196,UWYHMGVUTGAWSP-JKIFEVAISA-N,CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O,yes
3,18972857,NFTOEHBFQROATQ-UHFFFAOYSA-N,C1COC(=C1)C(=O)O,no
3,54675779,OWFJMIVZYSDULZ-PXOLEDIWSA-N,C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O,no
3,1983,RZVAJINKPMORJF-UHFFFAOYSA-N,CC(=O)NC1=CC=C(C=C1)O,yes
3,37464,KQXKVJAGOJTNJS-HNNXBMFYSA-N,CC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)O,no
3,5904,JGSARLDLIJGVTE-MBNYWOFBSA-N,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C,no
3,6869,BPLBGHOLXOTWMN-MBNYWOFBSA-N,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C,no
3,54676228,QYSPLQLAKJAUJT-UHFFFAOYSA-N,CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3,yes
3,4781,VYMDGNCVAMGZFE-UHFFFAOYSA-N,CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3,yes
3,5755,OIGNJSKKLXVSLS-VWUMJDOOSA-N,C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C)O,yes
3,5865,XOFYZVNMUHMLCC-ZPOLXVRWSA-N,C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C,yes
3,4946,AQHHHDLHHXJYJD-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,yes
3,3778,PXWLVJLKJGVOKE-UHFFFAOYSA-N,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C,yes
3,9570438,MOOFYEJFXBSZGE-LQGKIZFRSA-N,C1=CC(=CC=C1/C=N/N/C(=N/N=C/C2=CC=C(C=C2)Cl)/N)Cl,yes
3,56208,XBHBWNFJWIASRO-UHFFFAOYSA-N,C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F,yes
3,5253,ZBMZVLHSJCTVON-UHFFFAOYSA-N,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O,yes
3,6634,XOXHILFPRYWFOD-UHFFFAOYSA-N,C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl,yes
3,5215,SEEPANYCNGTZFQ-UHFFFAOYSA-N,C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N,yes
3,5323,ZZORFUFYDOWNEF-UHFFFAOYSA-N,COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC,yes
3,17134,PJSFRIWCGOHTNF-UHFFFAOYSA-N,COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N,yes
3,5325,QPPBRPIAZZHUNT-UHFFFAOYSA-N,CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N,yes
3,5327,ASWVTGNCAZCNNR-UHFFFAOYSA-N,CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C,yes
3,5329,JLKIGFTWXXRPMT-UHFFFAOYSA-N,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,yes
3,5338,NHZLNPMOSADWGC-UHFFFAOYSA-N,C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N,yes
3,5340,JNMRHUJNCSQMMB-UHFFFAOYSA-N,C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=CS2,yes
3,54675776,NWXMGUDVXFXRIG-WESIUVDSSA-N,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O,no
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3,5578,IEDVJHCEMCRBQM-UHFFFAOYSA-N,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,yes
3,5280440,WBPYTXDJUQJLPQ-VMXQISHHSA-N,CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC,yes
3,5707,BPICBUSOMSTKRF-UHFFFAOYSA-N,CC1=C(C(=CC=C1)C)NC2=NCCCS2,no
3,1982,YASYVMFAVPKPKE-UHFFFAOYSA-N,CC(=O)NP(=O)(OC)SC,yes
3,213021,WCXDHFDTOYPNIE-UHFFFAOYSA-N,CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl,yes
3,2078,XCSGPAVHZFQHGE-UHFFFAOYSA-N,CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl,yes
3,17531,RQVGAIADHNPSME-UHFFFAOYSA-N,CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1,yes
3,2268,CJJOSEISRRTUQB-UHFFFAOYSA-N,COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1,yes
3,3034285,WFDXOXNFNRHQEC-GHRIWEEISA-N,CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC,yes
3,28780,RIOXQFHNBCKOKP-UHFFFAOYSA-N,CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC,no
3,91656,VGPIBGGRCVEHQZ-UHFFFAOYSA-N,CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O,no
3,213013,WYEMLYFITZORAB-UHFFFAOYSA-N,C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl,yes
3,3444,HJJVPARKXDDIQD-UHFFFAOYSA-N,C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br,yes
3,38884,DSKJPMWIHSOYEA-UHFFFAOYSA-N,CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C,yes
3,6129,CVXBEEMKQHEXEN-UHFFFAOYSA-N,CNC(=O)OC1=CC=CC2=CC=CC=C21,yes
3,25429,TWFZGCMQGLPBSX-UHFFFAOYSA-N,COC(=O)NC1=NC2=CC=CC=C2N1,yes
3,2566,DUEPRVBVGDRKAG-UHFFFAOYSA-N,CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C,yes
3,5377791,FSAVDKDHPDSCTO-XYOKQWHBSA-N,CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Cl)Cl,yes
3,25912,NLYNUTMZTCLNOO-UHFFFAOYSA-N,CN(C(=O)NC1=CC(=C(C=C1)Br)Cl)OC,yes
3,86132,UFNOUKDBUJZYDE-UHFFFAOYSA-N,CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O,yes
3,4284,MMOXZBCLCQITDF-UHFFFAOYSA-N,CCN(CC)C(=O)C1=CC=CC(=C1)C,yes
3,3017,FHIVAFMUCKRCQO-UHFFFAOYSA-N,CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C,yes
3,3039,OEBRKCOSUFCWJD-UHFFFAOYSA-N,COP(=O)(OC)OC=C(Cl)Cl,yes
3,5371560,VEENJGZXVHKXNB-VOTSOKGWSA-N,C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC,yes
3,86173,BQYJATMQXGBDHF-UHFFFAOYSA-N,CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl,yes
3,3082,MCWXGJITAZMZEV-UHFFFAOYSA-N,CNC(=O)CSP(=S)(OC)OC,yes
3,5889665,QNBTYORWCCMPQP-NBVRZTHBSA-N,COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC,yes
3,10936292,WXUZAHCNPWONDH-DYTRJAOYSA-N,CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2/C(=N\OC)/C(=O)NC,yes
3,17241,BKVJOVPVLOJPKJ-UHFFFAOYSA-N,CCOP(=S)(OCC)SCCS(=O)(=O)CC,no
3,17242,UPUGLJYNCXXUQV-UHFFFAOYSA-N,CCOP(=S)(OCC)SCCS(=O)CC,no
3,3120,XMTQQYYKAHVGBJ-UHFFFAOYSA-N,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,yes
3,61899,JMXKCYUTURMERF-UHFFFAOYSA-N,CC1CN(CC(O1)C)C2CCCCCCCCCCC2,yes
3,3317081,ZMYFCFLJBGAQRS-UHFFFAOYSA-N,C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl,yes
3,10342051,NYPJDWWKZLNGGM-RPWUZVMVSA-N,CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3,no
3,16589,RJBJMKAMQIOAML-UHFFFAOYSA-N,CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC,no
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3,9930667,FNELVJVBIYMIMC-UHFFFAOYSA-N,CCS(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N,no
3,135424354,BBXXLROWFHWFQY-UHFFFAOYSA-N,CCCCC1=C(N=C(NC1=O)NCC)C,yes
3,3289,VJYFKVYYMZPMAB-UHFFFAOYSA-N,CCCSP(=O)(OCC)SCCC,yes
3,37995,FGIWFCGDPUIBEZ-UHFFFAOYSA-N,CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC,no
3,31070,ZCJPOPBZHLUFHF-UHFFFAOYSA-N,CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)SC)C,yes
3,36028,LVNYJXIBJFXIRZ-UHFFFAOYSA-N,CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)(=O)C)C,yes
3,43226,NHOWDZOIZKMVAI-UHFFFAOYSA-N,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl,yes
3,19588,DIRFUJHNVNOBMY-UHFFFAOYSA-N,CCC(C)C1=CC=CC=C1OC(=O)NC,yes
3,86429,IANUJLZYFUDJIH-UHFFFAOYSA-N,CC(C)N(C1=CC=C(C=C1)F)C(=O)COC2=NN=C(S2)C(F)(F)F,yes
3,91727,JWUCHKBSVLQQCO-UHFFFAOYSA-N,C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F,yes
3,11419598,PXDNXJSDGQBLKS-UHFFFAOYSA-N,CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC,yes
3,91758,DUFVKSUJRWYZQP-UHFFFAOYSA-N,CCC(C)SP(=O)(N1CCSC1=O)OCC,yes
3,66461,STMIIPIFODONDC-UHFFFAOYSA-N,CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O,yes
3,37175,PZBPKYOVPCNPJY-UHFFFAOYSA-N,C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl,yes
3,91770,PVSGXWMWNRGTKE-UHFFFAOYSA-N,CC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O,yes
3,54738,CLQMBPJKHLGMQK-UHFFFAOYSA-N,CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C,yes
3,86287518,YWTYJOPNNQFBPC-UHFFFAOYSA-N,C1CN(/C(=N/[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl,yes
3,33294,FCOAHACKGGIURQ-UHFFFAOYSA-N,CC(C)OP(=O)(OC(C)C)SCC1=CC=CC=C1,no
3,37517,ONUFESLQCSAYKA-UHFFFAOYSA-N,CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl,yes
3,10958189,NWUWYYSKZYIQAE-WMCAAGNKSA-N,CC1=CC=C(C=C1)C(C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C,yes
3,36679,PUIYMUZLKQOUOZ-UHFFFAOYSA-N,CC(C)C1=CC=C(C=C1)NC(=O)N(C)C,yes
3,9502,XKJMBINCVNINCA-UHFFFAOYSA-N,CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC,yes
3,15415,WSORODGWGUUOBO-UHFFFAOYSA-N,CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC,yes
3,4004,JXSJBGJIGXNWCI-UHFFFAOYSA-N,CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,no
3,13707,LTQSAUHRSCMPLD-UHFFFAOYSA-N,CCOP(=O)(N=C1SCC(S1)C)OCC,no
3,175967,KPUREKXXPHOJQT-UHFFFAOYSA-N,CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-],yes
3,42586,ZQEIXNIJLIKNTD-UHFFFAOYSA-N,CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC,yes
3,49384,STEPQTYSZVCJPV-UHFFFAOYSA-N,CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl,yes
3,86210,XWPZUHJBOLQNMN-UHFFFAOYSA-N,CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C,yes
3,4096,NNKVPIKMPCQWCG-UHFFFAOYSA-N,COP(=O)(N)SC,no
3,13709,MEBQXILRKZHVCX-UHFFFAOYSA-N,COC1=NN(C(=O)S1)CSP(=S)(OC)OC,yes
3,16589,RJBJMKAMQIOAML-UHFFFAOYSA-N,CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC,no
3,17521,FNCMBMZOZQAWJA-UHFFFAOYSA-N,CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC,yes
3,5353758,UHXUZOCRWCRNSJ-QPJJXVBHSA-N,C/C(=N\OC(=O)NC)/SC,yes
3,105010,QCAWEPFNJXQPAN-UHFFFAOYSA-N,CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C,yes
3,29863,DSRNRYQBBJQVCW-UHFFFAOYSA-N,CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl,yes
3,52999,RSMUVYRMZCOLBH-UHFFFAOYSA-N,CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC,yes
3,5355863,GEPDYQSQVLXLEU-AATRIKPKSA-N,C/C(=C\C(=O)OC)/OP(=O)(OC)OC,no
3,5371562,KRTSDMXIXPKRQR-AATRIKPKSA-N,C/C(=C\C(=O)NC)/OP(=O)(OC)OC,yes
3,8800,BMLIZLVNXIYGCK-UHFFFAOYSA-N,CN(C)C(=O)NC1=CC=C(C=C1)Cl,yes
3,6336,HZJKXKUJVSEEFU-UHFFFAOYSA-N,CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl,yes
3,3034287,CFRPSFYHXJZSBI-DHZHZOJOSA-N,CCN(CC1=CN=C(C=C1)Cl)/C(=C/[N+](=O)[O-])/NC,no
3,91683,SAPGTCDSBGMXCD-UHFFFAOYSA-N,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl,yes
3,14210,PZXOQEXFMJCDPG-UHFFFAOYSA-N,CNC(=O)CSP(=O)(OC)OC,yes
3,21330,AMEKQAFGQBKLKX-UHFFFAOYSA-N,CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2,yes
3,158076,RMOGWMIKYWRTKW-KGLIPLIRSA-N,CC(C)(C)[C@H]([C@@H](CC1=CC=C(C=C1)Cl)N2C=NC=N2)O,no
3,9395,WYMSBXTXOHUIGT-UHFFFAOYSA-N,CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-],no
3,13708,BAFQDKPJKOLXFZ-UHFFFAOYSA-N,COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-],no
3,91693,WKBPZYKAUNRMKP-UHFFFAOYSA-N,CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl,yes
3,91692,OGYFATSSENRIKG-UHFFFAOYSA-N,C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3,yes
3,3032604,RGCLLPNLLBQHPF-HJWRWDBZSA-N,CCN(CC)C(=O)/C(=C(\C)/OP(=O)(OC)OC)/Cl,no
3,31645,YFGYUFNIOHWBOB-UHFFFAOYSA-N,CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C,yes
3,31957,TZBPRYIIJAJUOY-UHFFFAOYSA-N,CCN(CC)C1=NC(=CC(=N1)OP(=S)(OCC)OCC)C,yes
3,34526,QHOQHJPRIBSPCY-UHFFFAOYSA-N,CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C,yes
3,73665,TVLSRXXIMLFWEO-UHFFFAOYSA-N,CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2,yes
3,36242,QXJKBPAVAHBARF-UHFFFAOYSA-N,CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C,yes
3,17516,DTAPQAJKAFRNJB-UHFFFAOYSA-N,CC1=CC(=CC(=C1)OC(=O)NC)C(C)C,yes
3,4929,AAEVYOVXGOFMJO-UHFFFAOYSA-N,CC(C)NC1=NC(=NC(=N1)SC)NC(C)C,yes
3,32490,WZZLDXDUQPOXNW-UHFFFAOYSA-N,CCCOC(=O)NCCCN(C)C,yes
3,4933,LFULEKSKNZEWOE-UHFFFAOYSA-N,CCC(=O)NC1=CC(=C(C=C1)Cl)Cl,yes
3,43234,STJLVHWMYQXCPB-UHFFFAOYSA-N,CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl,yes
3,4944,ISRUGXGCCGIOQO-UHFFFAOYSA-N,CC(C)OC1=CC=CC=C1OC(=O)NC,yes
3,91751,LTUNNEGNEKBSEH-UHFFFAOYSA-N,CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F,yes
3,26033,JOOMJVFZQRQWKR-UHFFFAOYSA-N,CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C,yes
3,5216,ODCWYMIRDDJXKW-UHFFFAOYSA-N,CCNC1=NC(=NC(=N1)Cl)NCC,yes
3,86102,PXMNMQRDXWABCY-UHFFFAOYSA-N,CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O,yes
3,5430,WJCNZQLZVWNLKY-UHFFFAOYSA-N,C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3,yes
3,115224,HOKKPVIRMVDYPB-UHFFFAOYSA-N,C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl,yes
3,5821911,NWWZPOKUUAIXIW-DHZHZOJOSA-N,CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl,yes
3,73674,AHTPATJNIAFOLR-UHFFFAOYSA-N,CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC,yes
3,62155,XDOTVMNBCQVZKG-UHFFFAOYSA-N,CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC,no
3,3032791,QGHREAKMXXNCOA-UHFFFAOYSA-N,COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC,yes
3,39385,WURBVZBTWMNKQT-UHFFFAOYSA-N,CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl,yes
3,41368,BAZVSMNPJJMILC-UHFFFAOYSA-N,CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O,yes
3,73282,XOPFESVZMSQIKC-UHFFFAOYSA-N,CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2OCCCl,no
3,32184,AMFGTOFWMRQMEM-UHFFFAOYSA-N,CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2,yes
3,5853,NFACJZMKEDPNKN-UHFFFAOYSA-N,COP(=O)(C(C(Cl)(Cl)Cl)O)OC,yes
3,39040,DQJCHOQLCLEDLL-UHFFFAOYSA-N,CC1=C2C(=CC=C1)SC3=NN=CN23,no
3,9955886,AIMMSOZBPYFASU-UHFFFAOYSA-N,COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)OCC(F)(F)F)OC,no
3,92421,RVKCCVTVZORVGD-UHFFFAOYSA-N,CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1,yes
4,6507,ZFOZVQLOBQUTQQ-UHFFFAOYSA-N,CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O,yes
4,6506,DOOTYTYQINUNNV-UHFFFAOYSA-N,CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O,yes
4,13625,YEDUAINPPJYDJZ-UHFFFAOYSA-N,C1=CC=C2C(=C1)NC(=O)S2,yes
4,7220,QRUDEWIWKLJBPS-UHFFFAOYSA-N,C1=CC2=NNN=C2C=C1,yes
4,3446,UGJMXCAKCUNAIE-UHFFFAOYSA-N,C1CCC(CC1)(CC(=O)O)CN,yes
4,3348,RWTNPBWLLIMQHL-UHFFFAOYSA-N,CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O,yes
4,135508007,MICNQLKUSOVNNG-UHFFFAOYSA-N,C1=NC2=C(N1COCC(=O)O)N=C(NC2=O)N,no
4,71485,BAQAVOSOZGMPRM-QBMZZYIRSA-N,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O,yes
4,16095400,SXSGXWCSHSVPGB-UHFFFAOYSA-N,CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F,no
4,69131857,PGMHPYRIXBRRQD-UHFFFAOYSA-N,CC1COC(=O)C2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C,yes
4,8925,ZUHZGEOKBKGPSW-UHFFFAOYSA-N,COCCOCCOCCOCCOC,yes
4,6409956,UJEYPGIFRHXEJE-UHFFFAOYSA-N,CC1=CC2=NNN=C2C=C1Cl,no
4,91739,FFSSWMQPCJRCRV-UHFFFAOYSA-N,C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl,yes
4,15842092,LNOOSYCKMKZOJB-UHFFFAOYSA-N,CCC1=CC=CC(=C1N(C(C)COC)C(=O)C(=O)O)C,yes
4,242777,YZOXPLQWARQVEJ-UHFFFAOYSA-N,CS(=O)(=O)C1=NC2=CC=CC=C2S1,no
4,221415,OTHBCWKTCXJYAW-UHFFFAOYSA-N,C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C=O,no
4,8044,RKISUIUJZGSLEV-UHFFFAOYSA-N,CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,yes
4,1017,XNGIFLGASWRNHJ-UHFFFAOYSA-N,C1=CC=C(C(=C1)C(=O)O)C(=O)O,yes
4,11495,SNYRXHULAWEECU-UHFFFAOYSA-N,C1=CC(=C(C=C1OCC(=O)O)Cl)Cl,no
4,13625,YEDUAINPPJYDJZ-UHFFFAOYSA-N,C1=CC=C2C(=C1)NC(=O)S2,yes
6,65280,GXPIUNZCALHVBA-UHFFFAOYSA-N,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C,yes
6,6128,AEMFNILZOJDQLW-QAGGRKNESA-N,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C,yes
6,2256,MXWJVTOOROXGIU-UHFFFAOYSA-N,CCNC1=NC(=NC(=N1)Cl)NC(C)C,yes
6,22563,DFWFIQKMSFGDCQ-UHFFFAOYSA-N,CC(C)NC1=NC(=NC(=N1)N)Cl,yes
6,581984,XFTSUNODOZMOBM-UHFFFAOYSA-N,CC(C)OP(=O)(OC(C)C)SCCNS(=O)(=O)C1=CC=CC=C1,no
6,17520,DMSMPAJRVJJAGA-UHFFFAOYSA-N,C1=CC=C2C(=C1)C(=O)NS2,yes
6,7064,GZVHEAJQGPRDLQ-UHFFFAOYSA-N,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,yes
6,444,SNPPWIUOZRMYNY-UHFFFAOYSA-N,CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C,yes
6,2519,RYYVLZVUVIJVGH-UHFFFAOYSA-N,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,yes
6,2554,FFGPTBGBLSHEPO-UHFFFAOYSA-N,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,yes
6,25429,TWFZGCMQGLPBSX-UHFFFAOYSA-N,COC(=O)NC1=NC2=CC=CC=C2N1,yes
6,2771,WSEQXVZVJXJVFP-UHFFFAOYSA-N,CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,yes
6,446598,KDLRVYVGXIQJDK-AWPVFWJPSA-N,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl,no
6,91590,HDHLIWCXDDZUFH-UHFFFAOYSA-N,CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC,yes
6,125017,KYYIDSXMWOZKMP-UHFFFAOYSA-N,CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O,yes
6,6781,FLKPEMZONWLCSK-UHFFFAOYSA-N,CCOC(=O)C1=CC=CC=C1C(=O)OCC,yes
6,4284,MMOXZBCLCQITDF-UHFFFAOYSA-N,CCN(CC)C(=O)C1=CC=CC(=C1)C,yes
6,91744,JLYFCTQDENRSOL-UHFFFAOYSA-N,CC1=CSC(=C1N(C(C)COC)C(=O)CCl)C,yes
6,13728,QAHFOPIILNICLA-UHFFFAOYSA-N,CN(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2,yes
6,3100,ZZVUWRFHKOJYTH-UHFFFAOYSA-N,CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,yes
6,86287518,YWTYJOPNNQFBPC-UHFFFAOYSA-N,C1CN(/C(=N/[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl,yes
6,3035253,QOBMKVRRANLSMZ-UHFFFAOYSA-N,CN(C)C(=O)NC1CCC2C1C3CCC2C3,no
6,3878,PYZRQGJRPPTADH-UHFFFAOYSA-N,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,yes
6,3676,NNJVILVZKWQKPM-UHFFFAOYSA-N,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,yes
6,10836,MYWUZJCMWCOHBA-VIFPVBQESA-N,C[C@@H](CC1=CC=CC=C1)NC,yes
6,4169,WVQBLGZPHOPPFO-UHFFFAOYSA-N,CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C,yes
6,4171,IUBSYMUCCVWXPE-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,yes
6,89594,SNICXCGAKADSCV-JTQLQIEISA-N,CN1CCC[C@H]1C2=CN=CC=C2,yes
6,34312,CTRLABGOLIVAIY-UHFFFAOYSA-N,C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N,yes
6,4909,DQMZLTXERSFNPB-UHFFFAOYSA-N,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,yes
6,5216,ODCWYMIRDDJXKW-UHFFFAOYSA-N,CCNC1=NC(=NC(=N1)Cl)NCC,yes
6,9907412,GOLXNESZZPUPJE-UHFFFAOYSA-N,CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C,no
6,5329,JLKIGFTWXXRPMT-UHFFFAOYSA-N,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,yes
6,33741,TVYLLZQTGLZFBW-ZBFHGGJFSA-N,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,yes
6,39385,WURBVZBTWMNKQT-UHFFFAOYSA-N,CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl,yes
6,31357,STCOOQWBFONSKY-UHFFFAOYSA-N,CCCCOP(=O)(OCCCC)OCCCC,yes
6,6535,DQWPFSLDHJDLRL-UHFFFAOYSA-N,CCOP(=O)(OCC)OCC,yes
6,22899348,ISZQNKFXNXQTTF-NACSPRHISA-N,C/C(=N\OCC1=CC=CC=C1/C(=N\OC)/C(=O)O)/C2=CC(=CC=C2)C(F)(F)F,yes
6,5578,IEDVJHCEMCRBQM-UHFFFAOYSA-N,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,yes
6,8289,XZZNDPSIHUTMOC-UHFFFAOYSA-N,C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3,yes
6,13097,FIQMHBFVRAXMOP-UHFFFAOYSA-N,C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3,yes
6,26176,KVMPUXDNESXNOH-UHFFFAOYSA-N,CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl,yes
6,6540,WTLBZVNBAKMVDP-UHFFFAOYSA-N,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,yes
6,8295,HQUQLFOMPYWACS-UHFFFAOYSA-N,C(CCl)OP(=O)(OCCCl)OCCCl,yes
6,5656,PNVNVHUZROJLTJ-UHFFFAOYSA-N,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,yes
6,1978,GOEMGAFJFRBGGG-UHFFFAOYSA-N,CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C,yes
6,1986,BZKPWHYZMXOIDC-UHFFFAOYSA-N,CC(=O)NC1=NN=C(S1)S(=O)(=O)N,yes
6,2249,METKIMKYRPQLGS-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,yes
6,447043,MQTOSJVFKKJCRP-BICOPXKESA-N,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O,yes
6,448223,GVGYEFKIHJTNQZ-RFQIPJPRSA-N,CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O,no
6,2405,VHYCDWMUTMEGQY-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O,yes
6,2764,MYSWGUAQZAJSOK-UHFFFAOYSA-N,C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O,yes
6,446220,ZPUCINDJVBIVPJ-LJISPDSOSA-N,CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)OC,yes
6,854019,UIKROCXWUNQSPJ-VIFPVBQESA-N,CN1[C@@H](CCC1=O)C2=CN=CC=C2,yes
6,3090,IBXPYPUJPLLOIN-UHFFFAOYSA-N,CC1=NC=C(N1C)[N+](=O)[O-],yes
6,3120,XMTQQYYKAHVGBJ-UHFFFAOYSA-N,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,yes
6,3356,DJBNUMBKLMJRSA-UHFFFAOYSA-N,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,yes
6,3365,RFHAOTPXVQNOHP-UHFFFAOYSA-N,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,yes
6,3446,UGJMXCAKCUNAIE-UHFFFAOYSA-N,C1CCC(CC1)(CC(=O)O)CN,yes
6,3559,LNEPOXFFQSENCJ-UHFFFAOYSA-N,C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F,yes
6,5284569,LLPOLZWFYMWNKH-CMKMFDCUSA-N,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4,yes
6,54738,CLQMBPJKHLGMQK-UHFFFAOYSA-N,CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C,yes
6,3749,YOSHYTLCDANDAN-UHFFFAOYSA-N,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,yes
6,5284583,HPHUVLMMVZITSG-LURJTMIESA-N,CC[C@@H](C(=O)N)N1CCCC1=O,no
6,441401,TYZROVQLWOKYKF-ZDUSSCGKSA-N,CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCOCC3)F,yes
6,3961,PSIFNNKUMBGKDQ-UHFFFAOYSA-N,CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl,yes
6,4173,VAOCPAMSLUNLGC-UHFFFAOYSA-N,CC1=NC=C(N1CCO)[N+](=O)[O-],yes
6,446541,HPNSFSBZBAHARI-RUDMXATFSA-N,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O,yes
6,4616,ADIMAYPTOBDMTL-UHFFFAOYSA-N,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,yes
6,4632,DXGLGDHPHMLXJC-UHFFFAOYSA-N,COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O,yes
6,5284603,BRUQQQPBMZOVGD-XFKAJCMBSA-N,CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O,yes
6,43815,AHOUBRCZNHFOSL-YOEHRIQHSA-N,C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,yes
6,125098,QLHULAHOXSSASE-UHFFFAOYSA-N,CCC(C)OC(=O)N1CCCCC1CCO,yes
6,4929,AAEVYOVXGOFMJO-UHFFFAOYSA-N,CC(C)NC1=NC(=NC(=N1)SC)NC(C)C,yes
6,5073,RAPZEAPATHNIPO-UHFFFAOYSA-N,CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F,yes
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15,4993,WKSAUQYGYAYLPV-UHFFFAOYSA-N,CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl,yes
15,91638,NZHUXMZTSSZXSB-MOPGFXCFSA-N,CN(C)CCN1C2=CC=CC=C2S[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC,yes
15,9813542,NDPTTXIBLSWNSF-BXKDBHETSA-N,C[C@H]([C@H](C1=CC(=CC=C1)Cl)O)NC(C)(C)C,no
15,23284,OMVSWZDEEGIJJI-UHFFFAOYSA-N,CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C,no
15,6505,QZCLKYGREBVARF-UHFFFAOYSA-N,CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C,yes
15,2347,IRIAEXORFWYRCZ-UHFFFAOYSA-N,CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2,yes
15,3026,DOIRQSBPFJWKBE-UHFFFAOYSA-N,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,yes
15,31355,HRKAMJBPFPHCSD-UHFFFAOYSA-N,CC(C)COP(=O)(OCC(C)C)OCC(C)C,yes
15,6540,WTLBZVNBAKMVDP-UHFFFAOYSA-N,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,yes
15,8295,HQUQLFOMPYWACS-UHFFFAOYSA-N,C(CCl)OP(=O)(OCCCl)OCCCl,yes
15,11487,DMBHHRLKUKUOEG-UHFFFAOYSA-N,C1=CC=C(C=C1)NC2=CC=CC=C2,yes
15,1136,BKAWJIRCKVUVED-UHFFFAOYSA-N,CC1=C(SC=N1)CCO,yes
15,3496442,OAORYCZPERQARS-UHFFFAOYSA-N,C1=CC2=C(C=C1Br)NC=C2CC(C(=O)O)N,no
15,15433,SYELZBGXAIXKHU-UHFFFAOYSA-N,CCCCCCCCCCCC[N+](C)(C)[O-],yes
15,6984,NGFPWHGISWUQOI-UHFFFAOYSA-N,CCC(C)C1=CC=CC=C1O,yes
15,2331,KXDAEFPNCMNJSK-UHFFFAOYSA-N,C1=CC=C(C=C1)C(=O)N,yes
15,66093,XKGLSKVNOSHTAD-UHFFFAOYSA-N,CCCCC(=O)C1=CC=CC=C1,yes
17,15132,GRIATXVEXOFBGO-UHFFFAOYSA-N,CC1=C2C(=CC=C1)SC(=N2)N,no
17,91727,JWUCHKBSVLQQCO-UHFFFAOYSA-N,C1=CC=C(C(=C1)C(CN2C=NC=N2)(C3=CC=C(C=C3)F)O)F,yes
17,23325786,MUIIGCPOFFWEIK-UHFFFAOYSA-N,CC1=C(C(=C(C(=C1C#N)N)C#N)S)C,no
17,13748433,PIRFWHVVLRIJPU-UHFFFAOYSA-N,CSC(=NC1=CC=C(C=C1)C#N)NC#N,no
17,11390869,JELKCCNPRMGQID-UHFFFAOYSA-N,CC1=NC2=C(S1)C=CC(=C2Br)N,no
17,21263733,UEAGQZJQUKBEFH-UHFFFAOYSA-N,CC(C)CCCCCCCCCCOCCC[NH2+][O-],no
17,117941714,GMHSUBANZKHUPW-QGZVFWFLSA-N,C[C@]1(CCN(C1)C2=NC(=NC3=C2N=NN3CC4=CC=C(C=C4)OC)Cl)O,no
17,86102,PXMNMQRDXWABCY-UHFFFAOYSA-N,CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O,yes
17,43234,STJLVHWMYQXCPB-UHFFFAOYSA-N,CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl,yes
17,66461,STMIIPIFODONDC-UHFFFAOYSA-N,CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O,yes
17,91529572,GMKFSYRDBOOYPS-UHFFFAOYSA-N,CCCN(C)C(=NC(=CC)OC)N=C,no
18,7789,ULQISTXYYBZJSJ-UHFFFAOYSA-N,CCCCCCC(CCCCCCCCCCC(=O)O)O,yes
18,936,DFPAKSUCGFBDDF-UHFFFAOYSA-N,C1=CC(=CN=C1)C(=O)N,yes
18,12736,TVIDDXQYHWJXFK-UHFFFAOYSA-N,C(CCCCCC(=O)O)CCCCC(=O)O,yes
18,67818,ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
18,9554,SNGREZUHAYWORS-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
18,67821,UZUFPBIDKMEQEQ-UHFFFAOYSA-N,C(=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,yes
18,9555,PCIUEQPBYFRTEM-UHFFFAOYSA-N,C(=O)(C(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)(F)F)O,yes
18,77222,SIDINRCMMRKXGQ-UHFFFAOYSA-N,C(=O)(C(C(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)(F)F)(F)F)O,yes
18,75922,ACEKLXZRZOWKRY-UHFFFAOYSA-N,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,yes
18,67734,QZHDEAJFRJCDMF-UHFFFAOYSA-N,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,yes
18,67820,OYGQVDSRYXATEL-UHFFFAOYSA-N,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,yes
18,74483,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,yes
18,22568738,GGOUUEMCWBTDMT-UHFFFAOYSA-N,C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,yes
18,101650,ICKAEAFPESRWOT-UHFFFAOYSA-N,C1(C(C(C(C(C1(F)F)(F)F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)F,no
18,5994,RJKFOVLPORLFTN-LEKSSAKUSA-N,CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C,yes
18,3676,NNJVILVZKWQKPM-UHFFFAOYSA-N,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,yes
18,10204,MUMGGOZAMZWBJJ-KZYORJDKSA-N,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C,yes
18,6238,DBPWSSGDRRHUNT-CEGNMAFCSA-N,CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,yes
18,8956,RWBRUCCWZPSBFC-RXRZZTMXSA-N,C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O,no
18,403,PLIKAWJENQZMHA-UHFFFAOYSA-N,C1=CC(=CC=C1N)O,yes
18,524508,XAWPKHNOFIWWNZ-UHFFFAOYSA-N,C1=CC(=CC2=C1C=CN2)O,no
19,71485,BAQAVOSOZGMPRM-QBMZZYIRSA-N,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O,yes
19,31357,STCOOQWBFONSKY-UHFFFAOYSA-N,CCCCOP(=O)(OCCCC)OCCCC,yes
19,25429,TWFZGCMQGLPBSX-UHFFFAOYSA-N,COC(=O)NC1=NC2=CC=CC=C2N1,yes
19,7220,QRUDEWIWKLJBPS-UHFFFAOYSA-N,C1=CC2=NNN=C2C=C1,yes
19,4284,MMOXZBCLCQITDF-UHFFFAOYSA-N,CCN(CC)C(=O)C1=CC=CC(=C1)C,yes
19,2256,MXWJVTOOROXGIU-UHFFFAOYSA-N,CCNC1=NC(=NC(=N1)Cl)NC(C)C,yes
19,23717,PWYIUEFFPNVCMW-UHFFFAOYSA-N,CCCOP(=O)(OCCC)OC1=CC=C(C=C1)SC,no
19,6442842,OMFRMAHOUUJSGP-IRHGGOMRSA-N,CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)[C@@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl,no
19,42586,ZQEIXNIJLIKNTD-UHFFFAOYSA-N,CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC,yes
19,43234,STJLVHWMYQXCPB-UHFFFAOYSA-N,CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl,yes
19,13290,DDUIUBPJPOKOMV-UHFFFAOYSA-N,CC(C)NC1=NC(=NC(=N1)NCCCOC)SC,no
19,15967,PNRAZZZISDRWMV-UHFFFAOYSA-N,CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)NC)C(C)(C)C,yes
19,3000540,OJMMVQQUTAEWLP-KIDUDLJLSA-N,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O,yes
19,3463,HEMJJKBWTPKOJG-UHFFFAOYSA-N,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,yes
19,2554,FFGPTBGBLSHEPO-UHFFFAOYSA-N,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,yes
19,441306,CIDUJQMULVCIBT-MQDUPKMGSA-N,CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)O[C@@H]3[C@@H](CC=C(O3)CN)N)N,no
19,3365,RFHAOTPXVQNOHP-UHFFFAOYSA-N,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,yes
19,250948,UDKABVSQKJNZBH-DWNQPYOZSA-N,CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC(=C)[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C,yes
19,5323,ZZORFUFYDOWNEF-UHFFFAOYSA-N,COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)OC,yes
19,2907,CMSMOCZEIVJLDB-UHFFFAOYSA-N,C1CNP(=O)(OC1)N(CCCl)CCCl,yes
19,3672,HEFNNWSXXWATRW-UHFFFAOYSA-N,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,yes
19,84029,AGOYDEPGAOXOCK-KCBOHYOISA-N,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O,yes
19,68617,VGKDLMBJGBXTGI-SJCJKPOMSA-N,CN[C@H]1CC[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl,yes
19,9904,NPAGDVCDWIYMMC-IZPLOLCNSA-N,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34,yes
19,586,CVSVTCORWBXHQV-UHFFFAOYSA-N,CN(CC(=O)O)C(=N)N,yes
19,5280934,DTOSIQBPPRVQHS-PDBXOOCHSA-N,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,yes
19,1032,XBDQKXXYIPTUBI-UHFFFAOYSA-N,CCC(=O)O,yes
19,6896,UFFBMTHBGFGIHF-UHFFFAOYSA-N,CC1=C(C(=CC=C1)C)N,yes
19,92779,LVRFTAZAXQPQHI-UHFFFAOYSA-N,CC(C)CC(C(=O)O)O,yes
19,7257,SDYWXFYBZPNOFX-UHFFFAOYSA-N,C1=CC(=C(C=C1N)Cl)Cl,yes
19,78933,WPMWEFXCIYCJSA-UHFFFAOYSA-N,CCCCCCCCCCCCOCCOCCOCCOCCO,yes
19,980,BTJIUGUIPKRLHP-UHFFFAOYSA-N,C1=CC(=CC=C1[N+](=O)[O-])O,yes
19,7965,PAFZNILMFXTMIY-UHFFFAOYSA-N,C1CCC(CC1)N,yes
19,2969,GHVNFZFCNZKVNT-UHFFFAOYSA-N,CCCCCCCCCC(=O)O,yes
19,8343,BJQHLKABXJIVAM-UHFFFAOYSA-N,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC,yes
19,3026,DOIRQSBPFJWKBE-UHFFFAOYSA-N,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,yes
19,7955,JDSHMPZPIAZGSV-UHFFFAOYSA-N,C1(=NC(=NC(=N1)N)N)N,yes
19,67815,JGTNAGYHADQMCM-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,yes
19,74483,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,yes
19,9554,SNGREZUHAYWORS-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
19,1004,NBIIXXVUZAFLBC-UHFFFAOYSA-N,OP(=O)(O)O,yes
19,1017,XNGIFLGASWRNHJ-UHFFFAOYSA-N,C1=CC=C(C(=C1)C(=O)O)C(=O)O,yes
19,849,HXEACLLIILLPRG-UHFFFAOYSA-N,C1CCNC(C1)C(=O)O,yes
19,5192,CXMXRPHRNRROMY-UHFFFAOYSA-N,C(CCCCC(=O)O)CCCC(=O)O,yes
19,6808,CIFFBTOJCKSRJY-UHFFFAOYSA-N,C1C=CCC2C1C(=O)NC2=O,no
19,6540,WTLBZVNBAKMVDP-UHFFFAOYSA-N,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,yes
19,6535,DQWPFSLDHJDLRL-UHFFFAOYSA-N,CCOP(=O)(OCC)OCC,yes
19,13097,FIQMHBFVRAXMOP-UHFFFAOYSA-N,C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3,yes
19,65743,OIAGWXKSCXPNNZ-UHFFFAOYSA-N,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C,yes
19,6723,HXACOUQIXZGNBF-UHFFFAOYSA-N,CC1=NC=C(C(=C1O)C(=O)O)CO,yes
19,654,UCQFCFPECQILOL-UHFFFAOYSA-N,CCOP(=O)(O)OCC,yes
19,69131857,PGMHPYRIXBRRQD-UHFFFAOYSA-N,CC1COC(=O)C2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C,yes
19,92272,RZJSUWQGFCHNFS-UHFFFAOYSA-N,CC(C)COC(=O)C1=CC=CC=C1C(=O)O,yes
19,30647,ZCXGMSGCBDSEOY-UHFFFAOYSA-N,C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O,yes
19,7184,QFOHBWFCKVYLES-UHFFFAOYSA-N,CCCCOC(=O)C1=CC=C(C=C1)O,yes
19,37907,OWEGWHBOCFMBLP-UHFFFAOYSA-N,CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl,yes
19,135398733,NFMIMWNQWAWNDW-UHFFFAOYSA-N,CCNC1=NC(=O)NC(=N1)NC(C)C,yes
19,86626,CNFFSKAZCVPTPA-UHFFFAOYSA-N,CC1(C(C2=C(O1)C(=CC=C2)O)O)C,no
19,6624,URYAFVKLYSEINW-UHFFFAOYSA-N,CC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O,no
19,3120,XMTQQYYKAHVGBJ-UHFFFAOYSA-N,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,yes
19,8430,AOMUHOFOVNGZAN-UHFFFAOYSA-N,CCCCCCCCCCCC(=O)N(CCO)CCO,yes
19,76972578,LNOOSYCKMKZOJB-NSHDSACASA-N,CCC1=CC=CC(=C1N([C@@H](C)COC)C(=O)C(=O)O)C,no
19,32490,WZZLDXDUQPOXNW-UHFFFAOYSA-N,CCCOC(=O)NCCCN(C)C,yes
19,86389,WOSNCVAPUOFXEH-UHFFFAOYSA-N,CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F,no
19,190,GFFGJBXGBJISGV-UHFFFAOYSA-N,C1=NC2=NC=NC(=C2N1)N,yes
19,60961,OIRDTQYFTABQOQ-KQYNXXCUSA-N,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,yes
19,2130,DKNWSYNQZKUICI-UHFFFAOYSA-N,C1C2CC3CC1CC(C2)(C3)N,yes
19,689043,QAIPRVGONGVQAS-DUXPYHPUSA-N,C1=CC(=C(C=C1/C=C/C(=O)O)O)O,yes
19,2519,RYYVLZVUVIJVGH-UHFFFAOYSA-N,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,yes
19,120697,KNLHGXVYZRQSJZ-SSDOTTSWSA-N,C[C@@H]1C2=C(C=C3C=CC=C(C3=C2O)OC)C(=O)O1,yes
19,12560,ULGZDMOVFRHVEP-RWJQBGPGSA-N,CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O,yes
19,3446,UGJMXCAKCUNAIE-UHFFFAOYSA-N,C1CCC(CC1)(CC(=O)O)CN,yes
19,3676,NNJVILVZKWQKPM-UHFFFAOYSA-N,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,yes
19,5360515,DQCKKXVULJGBQN-XFWGSAIBSA-N,C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O,yes
19,338,YGSDEFSMJLZEOE-UHFFFAOYSA-N,C1=CC=C(C(=C1)C(=O)O)O,yes
19,60846,ACWBQPMHZXGDFX-QFIPXVFZSA-N,CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O,yes
19,6038,LISFMEBWQUVKPJ-UHFFFAOYSA-N,C1=CC=C2C(=C1)C=CC(=O)N2,yes
19,8420,KVBGVZZKJNLNJU-UHFFFAOYSA-N,C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O,yes
19,637541,KKSDGJDHHZEWEP-SNAWJCMRSA-N,C1=CC(=CC(=C1)O)/C=C/C(=O)O,yes
19,2151,RLFWWDJHLFCNIJ-UHFFFAOYSA-N,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N,yes
19,16064,ATRNZOYKSNPPBF-UHFFFAOYSA-N,CCCCCCCCCCCC(CC(=O)O)O,no
19,29980616,WJUZRUVUDOFJAK-UHFFFAOYSA-N,C1CCC2(CC1)CC(=O)N(C2)CC3(CCCCC3)CC(=O)O,no
19,6101,JOXIMZWYDAKGHI-UHFFFAOYSA-N,CC1=CC=C(C=C1)S(=O)(=O)O,yes
19,641298,KKVZAVRSVHUSPL-GQCTYLIASA-N,COC1=CC=CC=C1/C=C/C=O,no
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22,8289,XZZNDPSIHUTMOC-UHFFFAOYSA-N,C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3,yes
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22,13282,ASMQGLCHMVWBQR-UHFFFAOYSA-N,C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2,yes
22,12793,CMPQUABWPXYYSH-UHFFFAOYSA-N,C1=CC=C(C=C1)OP(=O)(O)O,yes
22,1061,NBIIXXVUZAFLBC-UHFFFAOYSA-K,[O-]P(=O)([O-])[O-],no
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24,1615,SHXWCVYOXRDMCX-UHFFFAOYSA-N,CC(CC1=CC2=C(C=C1)OCO2)NC,yes
24,94244,LCPYQJIKPJDLLB-UHFFFAOYSA-N,CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)N,yes
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24,2160,KRMDCWKBEZIMAB-UHFFFAOYSA-N,CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,yes
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24,3078139,LGHZJDKSVUTELU-UHFFFAOYSA-N,C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F,yes
24,10097314,ASWBNKHCZGQVJV-QHCPKHFHSA-N,CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)O,no
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25,14271878,WYLSEDHKQJBUIA-UHFFFAOYSA-N,CCOC(=O)C1=C(C(=C(N=C1COCC(=O)O)C)C(=O)OC)C2=CC=CC=C2Cl,yes
25,135398752,HXNFUBHNUDHIGC-UHFFFAOYSA-N,C1=NNC2=C1C(=O)NC(=O)N2,yes
25,10958205,FUVKFLJWBHVMHX-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F,yes
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25,26618,MTZBBNMLMNBNJL-UHFFFAOYSA-N,CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=C(C=C2O)Cl)S(=O)(=O)N,yes
25,8266,DJKGDNKYTKCJKD-UHFFFAOYSA-N,C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O,yes
25,23189998,GQULUVDPKGRTAK-UHFFFAOYSA-N,CN(C1=C(C(=C(C(=C1I)C(=O)N)I)C(=O)N)I)C(=O)CO,no
25,139597923,XWTVVQSEVUROHO-UHFFFAOYSA-N,CNC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)NC(=O)COC)I,no
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25,62479,BNCADMBVWNPPIZ-UHFFFAOYSA-N,COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC,yes
25,13097,FIQMHBFVRAXMOP-UHFFFAOYSA-N,C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3,yes
27,1572160,GWXQTTKUYBEZBP-UHFFFAOYSA-N,C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)O,no
27,9859324,BCGLNCAVZDQPGE-UHFFFAOYSA-N,COCCOCCOCCOCC(=O)O,no
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27,6438357,JIGDOBKZMULDHS-UUHBQKJESA-N,C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CCCN=C(N)N)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C,yes
27,6437088,OWHASZQTEFAUJC-GJRPNUFSSA-N,C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC2=CC=C(C=C2)O)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC3=CC=CC=C3)OC)/C,yes
27,6850837,LQAFKEDMOAMGAK-RLCYQCIGSA-N,CC1=CC=C(C=C1)C2OC[C@H]3[C@@H](O2)[C@H](OC(O3)C4=CC=C(C=C4)C)[C@@H](CO)O,no
27,7155,SQZCAOHYQSOZCE-UHFFFAOYSA-N,CC1=CC=CC=C1N=C(N)N=C(N)N,no
29,6450826,CSWIKHNSBZVWNQ-UHFFFAOYSA-N,CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1,yes
29,122499,CMGDVUCDZOBDNL-UHFFFAOYSA-N,CC1=CC=CC2=NNN=C12,yes
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29,5486971,AYXYPKUFHZROOJ-ZETCQYMHSA-N,CC(C)C[C@@H](CC(=O)O)CN,yes
29,2206,VEQOALNAAJBPNY-UHFFFAOYSA-N,CC1=CC(=O)N(N1C)C2=CC=CC=C2,yes
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29,4284,MMOXZBCLCQITDF-UHFFFAOYSA-N,CCN(CC)C(=O)C1=CC=CC(=C1)C,yes
29,135398733,NFMIMWNQWAWNDW-UHFFFAOYSA-N,CCNC1=NC(=O)NC(=N1)NC(C)C,yes
29,135495928,OYTCZOJKXCTBHG-UHFFFAOYSA-N,CCNC1=NC(=O)NC(=N1)NC(C)(C)C,yes
29,125098,QLHULAHOXSSASE-UHFFFAOYSA-N,CCC(C)OC(=O)N1CCCCC1CCO,yes
29,72666,WSJBSKRPKADYRQ-UHFFFAOYSA-N,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O,yes
29,16559,ZTMKADLOSYKWCA-UHFFFAOYSA-N,C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O,yes
29,3676,NNJVILVZKWQKPM-UHFFFAOYSA-N,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,yes
29,2554,FFGPTBGBLSHEPO-UHFFFAOYSA-N,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,yes
29,13450,IROINLKCQGIITA-UHFFFAOYSA-N,CCNC1=NC(=NC(=N1)SC)NC(C)(C)C,yes
29,65743,OIAGWXKSCXPNNZ-UHFFFAOYSA-N,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C,yes
29,5329,JLKIGFTWXXRPMT-UHFFFAOYSA-N,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,yes
29,4946,AQHHHDLHHXJYJD-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,yes
29,3501942,MKAFOJAJJMUXLW-UHFFFAOYSA-N,CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,yes
29,60961,OIRDTQYFTABQOQ-KQYNXXCUSA-N,C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N,yes
29,69131857,PGMHPYRIXBRRQD-UHFFFAOYSA-N,CC1COC(=O)C2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C,yes
29,42586,ZQEIXNIJLIKNTD-UHFFFAOYSA-N,CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC,yes
29,449381,NENPYTRHICXVCS-YNEHKIRRSA-N,CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O,yes
29,3033,DCOPUUMXTXDBNB-UHFFFAOYSA-N,C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl,yes
29,71158,AFCGFAGUEYAMAO-UHFFFAOYSA-N,CC(=O)NCCCS(=O)(=O)O,yes
29,7204,WHKUVVPPKQRRBV-UHFFFAOYSA-N,CC1=C(C=CC(=C1)Cl)OCC(=O)O,yes
29,4909,DQMZLTXERSFNPB-UHFFFAOYSA-N,CCC1(C(=O)NCNC1=O)C2=CC=CC=C2,yes
29,19388302,USAWIVMZUYOXCF-UHFFFAOYSA-N,C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C3=NNN=N3,yes
29,4616,ADIMAYPTOBDMTL-UHFFFAOYSA-N,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,yes
29,2732,JIVPVXMEBJLZRO-UHFFFAOYSA-N,C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O,yes
29,71485,BAQAVOSOZGMPRM-QBMZZYIRSA-N,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O,yes
30,9777,YPJUNDFVDDCYIH-UHFFFAOYSA-N,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,yes
30,67542,PXUULQAPEKKVAH-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
30,67818,ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
30,9554,SNGREZUHAYWORS-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
30,67821,UZUFPBIDKMEQEQ-UHFFFAOYSA-N,C(=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,yes
30,62406,ITMCEJHCFYSIIV-UHFFFAOYSA-N,C(F)(F)(F)S(=O)(=O)O,yes
30,67815,JGTNAGYHADQMCM-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,yes
30,75922,ACEKLXZRZOWKRY-UHFFFAOYSA-N,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,yes
30,67734,QZHDEAJFRJCDMF-UHFFFAOYSA-N,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,yes
30,67820,OYGQVDSRYXATEL-UHFFFAOYSA-N,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,yes
30,74483,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,yes
30,22286935,SKGBGOQHXBAKKO-UHFFFAOYSA-N,CN(CC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,no
30,87481295,YGKAWLSSJSOXNM-UHFFFAOYSA-N,CN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,no
30,22286931,QNDHIRFIMVNHBN-UHFFFAOYSA-N,CN(CC(=O)O)S(=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,yes
30,162396499,YMUUIGFOSCRZFV-UHFFFAOYSA-N,CN(CC(=O)O)S(=O)(=O)C(C(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)(F)F)(F)F,no
30,10958205,FUVKFLJWBHVMHX-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F,yes
30,119688,VIONGDJUYAYOPU-UHFFFAOYSA-N,C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,yes
30,163145,AGFWEBMALSMQMX-UHFFFAOYSA-N,C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)S(=O)(=O)O,no
30,139596985,RVODMNZNWMCSJP-UHFFFAOYSA-N,C(C(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,no
30,596595,TWIYDBQRYCWOAU-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)O)(F)F)(C(F)(F)F)(F)F,no
30,22568738,GGOUUEMCWBTDMT-UHFFFAOYSA-N,C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,yes
30,14632790,ABFCFCPCGMHSRX-UHFFFAOYSA-N,C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O,yes
30,22457140,QGTOYUMAYUVGTO-UHFFFAOYSA-N,C1=CC(=CC=C1OC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)S(=O)(=O)O,no
30,3018003,UTWCWKUZICRKOA-UHFFFAOYSA-N,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,no
30,71329203,GASXCMFGMORIFO-UHFFFAOYSA-N,CC(=O)C(=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)F,no
30,89771814,CZZCSZXXFSVVLD-UHFFFAOYSA-N,C1=CC=C2C=NC(=CC2=C1)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O,no
30,238389,ZHJANTJICQVKOI-UHFFFAOYSA-N,CC(=O)C(C(F)(F)F)(F)F,no
32,260003,SDAXMMUAZRUWNL-UHFFFAOYSA-N,C1CCC(CC1)(CC(=O)O)C(=O)O,yes
32,6443013,HNICUWMFWZBIFP-IRQZEAMPSA-N,CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)O,no
32,14258971,DDHXERAMOVJOAJ-UHFFFAOYSA-N,CC1=C2CC3C(=C)CCC(C3(CC2(OC1=O)O)C)OC(=O)C,no
32,2779100,ILXJZPXGWURHNZ-UHFFFAOYSA-N,CC(=NO)C1=CC(=C(C=C1)OC)OC,no
32,269722,MRDGZSKYFPGAKP-UHFFFAOYSA-N,COC1=CC=C(C=C1)N2CCNCC2,no
32,260003,SDAXMMUAZRUWNL-UHFFFAOYSA-N,C1CCC(CC1)(CC(=O)O)C(=O)O,yes
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34,3078139,LGHZJDKSVUTELU-UHFFFAOYSA-N,C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F,yes
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34,49384,STEPQTYSZVCJPV-UHFFFAOYSA-N,CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl,yes
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42,3120,XMTQQYYKAHVGBJ-UHFFFAOYSA-N,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,yes
42,92224,RUKJCCIJLIMGEP-UHFFFAOYSA-N,CN(C)C1=CC=C(C=C1)C=CC=O,no
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42,3348,RWTNPBWLLIMQHL-UHFFFAOYSA-N,CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O,yes
42,3356,DJBNUMBKLMJRSA-UHFFFAOYSA-N,C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,yes
42,3365,RFHAOTPXVQNOHP-UHFFFAOYSA-N,C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,yes
42,11158353,KVDJTXBXMWJJEF-UHFFFAOYSA-N,C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F,no
42,16095400,SXSGXWCSHSVPGB-UHFFFAOYSA-N,CN1C=C(C(=N1)C(F)F)C(=O)NC2=CC=CC=C2C3=CC(=C(C(=C3)F)F)F,no
42,3446,UGJMXCAKCUNAIE-UHFFFAOYSA-N,C1CCC(CC1)(CC(=O)O)CN,yes
42,47457,JAWPQJDOQPSNIQ-UHFFFAOYSA-N,C1CCC2(CC1)CC(=O)NC2,yes
42,3463,HEMJJKBWTPKOJG-UHFFFAOYSA-N,CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,yes
42,3672,HEFNNWSXXWATRW-UHFFFAOYSA-N,CC(C)CC1=CC=C(C=C1)C(C)C(=O)O,yes
42,135527764,YWTYJOPNNQFBPC-UHFFFAOYSA-N,C1CN(C(=N[N+](=O)[O-])N1)CC2=CN=C(C=C2)Cl,yes
42,15390532,ADWTYURAFSWNSU-UHFFFAOYSA-N,C1CN(C(=O)N1)CC2=CN=C(C=C2)Cl,yes
42,3749,YOSHYTLCDANDAN-UHFFFAOYSA-N,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,yes
42,3825,DKYWVDODHFEZIM-UHFFFAOYSA-N,CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O,yes
42,4786,DLNKOYKMWOXYQA-UHFFFAOYSA-N,CC(C(C1=CC=CC=C1)O)N,yes
42,21634109,VPPJLAIAVCUEMN-UHFFFAOYSA-N,CC(=O)NC(COC)C(=O)NCC1=CC=CC=C1,yes
42,3878,PYZRQGJRPPTADH-UHFFFAOYSA-N,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,yes
42,13690,JHWNWJKBPDFINM-UHFFFAOYSA-N,C1CCCCCC(=O)NCCCCC1,yes
42,3918,JAQUASYNZVUNQP-UHFFFAOYSA-N,CN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O,no
42,3676,NNJVILVZKWQKPM-UHFFFAOYSA-N,CCN(CC)CC(=O)NC1=C(C=CC=C1C)C,yes
42,3958,DIWRORZWFLOCLC-UHFFFAOYSA-N,C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl,yes
42,13314,FJIKWRGCXUCUIG-UHFFFAOYSA-N,CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3Cl,yes
42,4058,XADCESSVHJOZHK-UHFFFAOYSA-N,CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2,yes
42,91480,UDTWZFJEMMUFLC-UHFFFAOYSA-N,CCC1(C(=O)NC(=O)N1)C2=CC=CC=C2,no
42,4091,XZWYZXLIPXDOLR-UHFFFAOYSA-N,CN(C)C(=N)N=C(N)N,yes
42,1576,LPLLVINFLBSFRP-UHFFFAOYSA-N,CC(C(=O)C1=CC=CC=C1)NC,no
42,4169,WVQBLGZPHOPPFO-UHFFFAOYSA-N,CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C,yes
42,30479,FOXFZRUHNHCZPX-UHFFFAOYSA-N,CC(C)(C)C1=NN=C(N(C1=O)N)SC,yes
42,9414,YNEVBPNZHBAYOA-UHFFFAOYSA-N,CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC,no
42,57486975,NXNPGAAZKYDOPW-UHFFFAOYSA-N,CCC(C(=O)C1=CC=C(C=C1)C)N2CCCC2,no
42,27189,WXZVAROIGSFCFJ-UHFFFAOYSA-N,CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21,yes
42,2997,AKPLHCDWDRPJGD-UHFFFAOYSA-N,C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3,yes
42,259381,PMCBDBWCQQBSRJ-UHFFFAOYSA-N,CCC(=O)N(C1CCNCC1)C2=CC=CC=C2,yes
42,589268,JIEQNXJEEHWIDV-UHFFFAOYSA-N,C1=CC(=CC(=C1)N2C(=O)C(=C(C=N2)N)Cl)C(F)(F)F,no
42,4583,GSDSWSVVBLHKDQ-UHFFFAOYSA-N,CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O,yes
42,4616,ADIMAYPTOBDMTL-UHFFFAOYSA-N,C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O,yes
42,4631,CEMAWMOMDPGJMB-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=CC=C1OCC=C)O,yes
42,125098,QLHULAHOXSSASE-UHFFFAOYSA-N,CCC(C)OC(=O)N1CCCCC1CCO,yes
42,4890,MWQCHHACWWAQLJ-UHFFFAOYSA-N,C1CC1CN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4,no
42,4928,ISEUFVQQFVOBCY-UHFFFAOYSA-N,CC(C)NC1=NC(=NC(=N1)OC)NC(C)C,yes
42,4929,AAEVYOVXGOFMJO-UHFFFAOYSA-N,CC(C)NC1=NC(=NC(=N1)SC)NC(C)C,yes
42,4946,AQHHHDLHHXJYJD-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O,yes
42,43234,STJLVHWMYQXCPB-UHFFFAOYSA-N,CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl,yes
42,8424,CYHOMWAPJJPNMW-UHFFFAOYSA-N,CN1C2CCC1CC(C2)O,no
42,4991,RVOLLAQWKVFTGE-UHFFFAOYSA-N,C[N+]1=CC=CC(=C1)OC(=O)N(C)C,no
42,91665,XRJLAOUDSILTFT-UHFFFAOYSA-N,C1CC(=O)N2CCC3=CC=CC1=C32,no
42,267891,BCJMNZRQJAVDLD-UHFFFAOYSA-N,CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O)C,no
42,4979943,BPRHUIZQVSMCRT-UHFFFAOYSA-N,CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C,no
42,5018112,VMYDDULRGBGGBN-UHFFFAOYSA-N,CCC(C)NC1=NC(=NC(=N1)N)Cl,no
42,5202,QZAYGJVTTNCVMB-UHFFFAOYSA-N,C1=CC2=C(C=C1O)C(=CN2)CCN,yes
42,5216,ODCWYMIRDDJXKW-UHFFFAOYSA-N,CCNC1=NC(=NC(=N1)Cl)NCC,yes
42,5253,ZBMZVLHSJCTVON-UHFFFAOYSA-N,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O,yes
42,5355,BGRJTUBHPOOWDU-UHFFFAOYSA-N,CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC,yes
42,22206,FZXISNSWEXTPMF-UHFFFAOYSA-N,CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C,yes
42,5467,JTVPZMFULRWINT-UHFFFAOYSA-N,CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC,yes
42,5523,TVYLLZQTGLZFBW-UHFFFAOYSA-N,CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O,yes
42,22016064,HBXKSXMNNGHBEA-UHFFFAOYSA-N,C[N+](C)(CC1CCCCC1(C2=CC(=CC=C2)OC)O)[O-],yes
42,31357,STCOOQWBFONSKY-UHFFFAOYSA-N,CCCCOP(=O)(OCCCC)OCCCC,yes
42,5564,XEFQLINVKFYRCS-UHFFFAOYSA-N,C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl,yes
42,6535,DQWPFSLDHJDLRL-UHFFFAOYSA-N,CCOP(=O)(OCC)OCC,yes
42,24730,SLINHMUFWFWBMU-UHFFFAOYSA-N,CC(CN(CC(C)O)CC(C)O)O,no
42,5578,IEDVJHCEMCRBQM-UHFFFAOYSA-N,COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N,yes
42,6540,WTLBZVNBAKMVDP-UHFFFAOYSA-N,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,yes
42,5610,DZGWFCGJZKJUFP-UHFFFAOYSA-N,C1=CC(=CC=C1CCN)O,yes
42,71113,OMOMUFTZPTXCHP-UHFFFAOYSA-N,CCCC(CCC)C(=O)N,no
42,5656,PNVNVHUZROJLTJ-UHFFFAOYSA-N,CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,yes
42,3501942,MKAFOJAJJMUXLW-UHFFFAOYSA-N,CNCC(C1=CC=C(C=C1)OC)C2(CCCCC2)O,yes
42,76559643,LASJEFFANGIOGZ-UHFFFAOYSA-N,C[N+](C)(CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O)[O-],yes
42,125017,KYYIDSXMWOZKMP-UHFFFAOYSA-N,CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O,yes
42,76559642,CZFVXEWRFNKSSC-UHFFFAOYSA-N,C[N+](C)(CC(C1=CC=C(C=C1)O)C2(CCCCC2)O)[O-],no
42,86400,WFDXOXNFNRHQEC-UHFFFAOYSA-N,COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC,no
42,5329,JLKIGFTWXXRPMT-UHFFFAOYSA-N,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N,yes
42,32154,PHNUZKMIPFFYSO-UHFFFAOYSA-N,CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl,yes
43,7594,OWRCNXZUPFZXOS-UHFFFAOYSA-N,C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N,yes
43,4277,ADFXKUOMJKEIND-UHFFFAOYSA-N,C1CCC(CC1)NC(=O)NC2CCCCC2,yes
43,24730,SLINHMUFWFWBMU-UHFFFAOYSA-N,CC(CN(CC(C)O)CC(C)O)O,no
43,6637,OHPZPBNDOVQJMH-UHFFFAOYSA-N,CCNS(=O)(=O)C1=CC=C(C=C1)C,yes
43,8102,BMVXCPBXGZKUPN-UHFFFAOYSA-N,CCCCCCN,yes
43,559367,UYZWCDKHEOBGLW-UHFFFAOYSA-N,CCCCCCNCCCC,no
43,7582,XBPCUCUWBYBCDP-UHFFFAOYSA-N,C1CCC(CC1)NC2CCCCC2,yes
43,58827805,PSYQNNNTXMNEPN-UHFFFAOYSA-N,CCCCCCCCCCCCCC[N+](C)(C)CCC[CH2-],no
43,13524271,OTGSYVWOVAEZIW-UHFFFAOYSA-N,CCN(CC)C(=O)C1CCCC=C1,no
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43,15433,SYELZBGXAIXKHU-UHFFFAOYSA-N,CCCCCCCCCCCC[N+](C)(C)[O-],yes
43,18739,ONHFWHCMZAJCFB-UHFFFAOYSA-N,CCCCCCCCCCCCCC[N+](C)(C)[O-],yes
43,51392,TWMFGCHRALXDAR-UHFFFAOYSA-N,CCCCCCCCCCCC(=O)NCCCN(C)C,yes
43,4284,MMOXZBCLCQITDF-UHFFFAOYSA-N,CCN(CC)C(=O)C1=CC=CC(=C1)C,yes
43,2519,RYYVLZVUVIJVGH-UHFFFAOYSA-N,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,yes
43,81278,PZYDAVFRVJXFHS-UHFFFAOYSA-N,C1CCC(CC1)N2CCCC2=O,yes
43,87778378,YPIVWAKZQDCHBB-UHFFFAOYSA-N,C(CCC(C(CCCCCS)O)S)CCN,no
43,590836,HBGGXOJOCNVPFY-UHFFFAOYSA-N,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,yes
43,44147487,YZHDZDITQRCTQB-UHFFFAOYSA-N,CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,no
43,44151130,PPBXJBDOPMSPTL-UHFFFAOYSA-N,CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C,no
43,19603021,AIZAKONEHDKRJI-UHFFFAOYSA-N,CN(C)N1C=C2C(=NC=N2)N=C1,no
43,11984,LDZYRENCLPUXAX-UHFFFAOYSA-N,CC1=NC2=CC=CC=C2N1,no
43,221792,BPCNEKWROYSOLT-UHFFFAOYSA-N,C=CC(=O)NC1=CC=CC=C1,no
43,656926,ILLKMACMBHTSHP-UHFFFAOYSA-N,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,no
43,78933,WPMWEFXCIYCJSA-UHFFFAOYSA-N,CCCCCCCCCCCCOCCOCCOCCOCCO,yes
43,145870,KOMQWDINDMFMPD-UHFFFAOYSA-N,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,no
43,87137080,QKVUKSNFNRICHD-UHFFFAOYSA-N,CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O,no
43,8925,ZUHZGEOKBKGPSW-UHFFFAOYSA-N,COCCOCCOCCOCCOC,yes
43,90263,ZNYRFEPBTVGZDN-UHFFFAOYSA-N,COCCOCCOCCOCCO,no
43,87492135,COLJSLDBDWQMGD-UHFFFAOYSA-N,CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O,no
43,32611,LCZVSXRMYJUNFX-UHFFFAOYSA-N,CC(CO)OCC(C)OCC(C)O,yes
43,81260,PSVXZQVXSXSQRO-UHFFFAOYSA-N,C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O,no
43,14433924,VWDQSWKLHABGKL-UHFFFAOYSA-N,COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO,no
43,74483,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,yes
43,67734,QZHDEAJFRJCDMF-UHFFFAOYSA-N,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,yes
43,67815,JGTNAGYHADQMCM-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,yes
43,9554,SNGREZUHAYWORS-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
43,67818,ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
43,67542,PXUULQAPEKKVAH-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
43,75921,CXZGQIAOTKWCDB-UHFFFAOYSA-N,C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O,yes
43,71485,BAQAVOSOZGMPRM-QBMZZYIRSA-N,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CCl)O)O)CCl)O)O)Cl)O,yes
43,6626,VPWNQTHUCYMVMZ-UHFFFAOYSA-N,C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O,yes
43,980,BTJIUGUIPKRLHP-UHFFFAOYSA-N,C1=CC(=CC=C1[N+](=O)[O-])O,yes
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49,13282,ASMQGLCHMVWBQR-UHFFFAOYSA-N,C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2,yes
49,2519,RYYVLZVUVIJVGH-UHFFFAOYSA-N,CN1C=NC2=C1C(=O)N(C(=O)N2C)C,yes
49,31355,HRKAMJBPFPHCSD-UHFFFAOYSA-N,CC(C)COP(=O)(OCC(C)C)OCC(C)C,yes
49,13940,AAPVQEMYVNZIOO-UHFFFAOYSA-N,C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl,yes
49,5281404,PSFDQSOCUJVVGF-UHFFFAOYSA-N,CC1=NC=CC2=C1NC3=CC=CC=C23,yes
49,18087,ZDPIZLCVJAAHHR-UHFFFAOYSA-N,CC1=C(C(=O)C(=C(N1)C)Cl)Cl,yes
49,4171,IUBSYMUCCVWXPE-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,yes
49,86102,PXMNMQRDXWABCY-UHFFFAOYSA-N,CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O,yes
49,65743,OIAGWXKSCXPNNZ-UHFFFAOYSA-N,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C,yes
49,4929,AAEVYOVXGOFMJO-UHFFFAOYSA-N,CC(C)NC1=NC(=NC(=N1)SC)NC(C)C,yes
49,7622,IMFACGCPASFAPR-UHFFFAOYSA-N,CCCCN(CCCC)CCCC,yes
49,10256,OLNJUISKUQQNIM-UHFFFAOYSA-N,C1=CC=C2C(=C1)C(=CN2)C=O,yes
49,3749,YOSHYTLCDANDAN-UHFFFAOYSA-N,CCCCC1=NC2(CCCC2)C(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5,yes
49,3255,ULGZDMOVFRHVEP-UHFFFAOYSA-N,CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O,no
49,2554,FFGPTBGBLSHEPO-UHFFFAOYSA-N,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,yes
49,7064,GZVHEAJQGPRDLQ-UHFFFAOYSA-N,C1=CC=C(C=C1)C2=NC(=NC(=N2)N)N,yes
49,5282593,ZTVIKZXZYLEVOL-DGKWVBSXSA-N,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O,no
49,104150,VZRKEAFHFMSHCD-UHFFFAOYSA-N,CCCCN(CCC(=O)OCC)C(=O)C,yes
49,50367,PRLVTUNWOQKEAI-UHFFFAOYSA-N,CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2,yes
49,6038,LISFMEBWQUVKPJ-UHFFFAOYSA-N,C1=CC=C2C(=C1)C=CC(=O)N2,yes
49,100332,XEVQXKKKAVVSMW-WRWORJQWSA-N,C[C@@]12C[C@H](CC(C1=CC(=O)O2)(C)C)O,no
49,88069,ZOXBWJMCXHTKNU-UHFFFAOYSA-N,CC1=CC2=C(C=C1)C(=O)OC2=O,yes
49,1,RDHQFKQIGNGIED-UHFFFAOYSA-N,CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,no
49,7965,PAFZNILMFXTMIY-UHFFFAOYSA-N,C1CCC(CC1)N,yes
49,386331,CHXSDKWBSFDZEU-UHFFFAOYSA-N,COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC,no
49,3845,HCZHHEIFKROPDY-UHFFFAOYSA-N,C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O,yes
49,91773,QYPNKSZPJQQLRK-UHFFFAOYSA-N,CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C,yes
49,2328,ZOMSMJKLGFBRBS-UHFFFAOYSA-N,CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O,yes
49,7594,OWRCNXZUPFZXOS-UHFFFAOYSA-N,C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N,yes
49,3120,XMTQQYYKAHVGBJ-UHFFFAOYSA-N,CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl,yes
49,105010,QCAWEPFNJXQPAN-UHFFFAOYSA-N,CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C,yes
49,3034285,WFDXOXNFNRHQEC-GHRIWEEISA-N,CO/C=C(\C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)/C(=O)OC,yes
49,13878,IVENSCMCQBJAKW-UHFFFAOYSA-N,CCNC1=NC(=NC(=N1)N)Cl,yes
49,135398733,NFMIMWNQWAWNDW-UHFFFAOYSA-N,CCNC1=NC(=O)NC(=N1)NC(C)C,yes
49,4169,WVQBLGZPHOPPFO-UHFFFAOYSA-N,CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C,yes
49,135541675,YWTYJOPNNQFBPC-UHFFFAOYSA-N,C1CN(/C(=N\[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl,yes
49,69131857,PGMHPYRIXBRRQD-UHFFFAOYSA-N,CC1COC(=O)C2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C,yes
49,4284,MMOXZBCLCQITDF-UHFFFAOYSA-N,CCN(CC)C(=O)C1=CC=CC(=C1)C,yes
49,3078139,LGHZJDKSVUTELU-UHFFFAOYSA-N,C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F,yes
50,14569991,UUGYQSGVIHEBQD-UHFFFAOYSA-N,CC(C)(C)C1=CC(=C(C=C1)OP2(=O)OCC3(CO2)COP(=O)(OC3)OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)C(C)(C)C,no
50,8291,VOWPVJACXJNHBC-UHFFFAOYSA-N,COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2,no
50,8289,XZZNDPSIHUTMOC-UHFFFAOYSA-N,C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3,yes
51,8652,WXPWZZHELZEVPO-UHFFFAOYSA-N,CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2,yes
51,62907,VUNOFAIHSALQQH-UHFFFAOYSA-N,CCNC(=O)C1CC(CCC1C(C)C)C,yes
51,5281708,ZQSIJRDFPHDXIC-UHFFFAOYSA-N,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O,yes
51,5360697,JAQUASYNZVUNQP-PVAVHDDUSA-N,CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)O,no
51,2681,RLGQACBPNDBWTB-UHFFFAOYSA-N,CCCCCCCCCCCCCCCC[N+](C)(C)C,yes
51,101560,IZYUWBATGXUSIK-UHFFFAOYSA-N,CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2,yes
51,6507,ZFOZVQLOBQUTQQ-UHFFFAOYSA-N,CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)O,yes
51,19284,JQCXWCOOWVGKMT-UHFFFAOYSA-N,CCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC,no
51,6540,WTLBZVNBAKMVDP-UHFFFAOYSA-N,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,yes
51,72344,MRIAQLRQZPPODS-UHFFFAOYSA-N,COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC,no
52,9777,YPJUNDFVDDCYIH-UHFFFAOYSA-N,C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O,yes
52,75921,CXZGQIAOTKWCDB-UHFFFAOYSA-N,C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O,yes
52,67542,PXUULQAPEKKVAH-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
52,67818,ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
52,9554,SNGREZUHAYWORS-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
52,67821,UZUFPBIDKMEQEQ-UHFFFAOYSA-N,C(=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,yes
52,9555,PCIUEQPBYFRTEM-UHFFFAOYSA-N,C(=O)(C(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)(F)F)O,yes
52,77222,SIDINRCMMRKXGQ-UHFFFAOYSA-N,C(=O)(C(C(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)(F)F)(F)F)O,yes
52,67545,CXGONMQFMIYUJR-UHFFFAOYSA-N,C(=O)(C(C(C(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)(F)F)(F)F)(F)F)O,yes
52,67815,JGTNAGYHADQMCM-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,yes
52,75922,ACEKLXZRZOWKRY-UHFFFAOYSA-N,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,yes
52,67734,QZHDEAJFRJCDMF-UHFFFAOYSA-N,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,yes
52,67820,OYGQVDSRYXATEL-UHFFFAOYSA-N,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,yes
52,74483,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,yes
52,122392555,FQCZAOVFXUUAHV-UHFFFAOYSA-N,C(C(C(F)(F)Cl)(F)F)(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,no
52,22568738,GGOUUEMCWBTDMT-UHFFFAOYSA-N,C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,yes
52,13033409,FBHVKOTUBJVWJB-UHFFFAOYSA-N,C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,no
52,163324631,MFFRLIXIJYISTE-UHFFFAOYSA-N,C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,no
52,42624728,CRHRBSUTDCXFIQ-UHFFFAOYSA-N,C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F,no
52,139596985,RVODMNZNWMCSJP-UHFFFAOYSA-N,C(C(C(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,no
52,119688,VIONGDJUYAYOPU-UHFFFAOYSA-N,C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,yes
52,3016044,ALVYVCQIFHTIRD-UHFFFAOYSA-N,C(CS(=O)(=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,yes
52,10958205,FUVKFLJWBHVMHX-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F,yes
52,22286935,SKGBGOQHXBAKKO-UHFFFAOYSA-N,CN(CC(=O)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F,no
52,118691,OKOCIUJVPQKDLL-UHFFFAOYSA-N,C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-],no
52,22457140,QGTOYUMAYUVGTO-UHFFFAOYSA-N,C1=CC(=CC=C1OC(=C(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F)S(=O)(=O)O,no
53,17697,XGQJZNCFDLXSIJ-UHFFFAOYSA-N,CCCCCCCCCCCCCCC=O,yes
53,656816,ZKLREJQHRKUJHD-JKSUJKDBSA-N,CCCCCCCCCCCCC[C@H]([C@H](CO)N)O,no
53,14756407,WMUMHAZHWIUBPN-UONOGXRCSA-N,CCCCCCCCCCC[C@H]([C@H](C)N)O,no
53,3247037,KFQUQCFJDMSIJF-DLBZAZTESA-N,CCCCCCCCCCCCCC[C@H]([C@H](CO)N)O,no
53,5283987,RFZOTNNDUHYGNN-RQBLKUNCSA-N,C[C@H](/C=C/C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C,no
53,6540,WTLBZVNBAKMVDP-UHFFFAOYSA-N,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,yes
53,14757418,CQKNELOTFUSOTP-HMTIOLNVSA-N,CCCCCCCCC/C=C/CCC[C@H]([C@H]([C@H](CO)N)O)O,no
53,9548808,YDZIJQXINJLRLL-NSHDSACASA-N,CCCCCCCCCC[C@@H](C(=O)O)O,no
53,5281794,OQWKEEOHDMUXEO-BQYQJAHWSA-N,CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC,yes
53,47346,AMLDBWWQKYLAHJ-UHFFFAOYSA-N,CC(C)CCCCCCCCCCCCNC(=O)C,no
53,1930,FATBGEAMYMYZAF-UHFFFAOYSA-N,CCCCCCCCC=CCCCCCCCC(=O)N,yes
53,20393,DJDSLBVSSOQSLW-UHFFFAOYSA-N,CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O,yes
53,3014032,SBUKOHLFHYSZNG-UHFFFAOYSA-N,CCCCCCCCCCCCN1CC(OC(C1)C)C,no
53,2554,FFGPTBGBLSHEPO-UHFFFAOYSA-N,C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,yes
53,5312508,JIWBIWFOSCKQMA-LTKCOYKYSA-N,CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,yes
53,33741,TVYLLZQTGLZFBW-ZBFHGGJFSA-N,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O,yes
53,4463,NQDJXKOVJZTUJA-UHFFFAOYSA-N,CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4,no
53,6993120,GJNDXQBALKCYSZ-RYUDHWBXSA-N,CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N,no
53,3878,PYZRQGJRPPTADH-UHFFFAOYSA-N,C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N,yes
53,9838803,UWJUQVWARXYRCG-HIFRSBDPSA-N,CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O,yes
54,62356,LRMSQVBRUNSOJL-UHFFFAOYSA-N,C(=O)(C(C(F)(F)F)(F)F)O,no
54,67542,PXUULQAPEKKVAH-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
54,67818,ZWBAMYVPMDSJGQ-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
54,9554,SNGREZUHAYWORS-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
54,67821,UZUFPBIDKMEQEQ-UHFFFAOYSA-N,C(=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,yes
54,9555,PCIUEQPBYFRTEM-UHFFFAOYSA-N,C(=O)(C(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)(F)F)O,yes
54,77222,SIDINRCMMRKXGQ-UHFFFAOYSA-N,C(=O)(C(C(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)(F)F)(F)F)O,yes
54,67545,CXGONMQFMIYUJR-UHFFFAOYSA-N,C(=O)(C(C(C(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)(F)F)(F)F)(F)F)O,yes
54,3018355,LVDGGZAZAYHXEY-UHFFFAOYSA-N,C(=O)(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)O,yes
54,67822,RUDINRUXCKIXAJ-UHFFFAOYSA-N,C(=O)(C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F)O,yes
54,62406,ITMCEJHCFYSIIV-UHFFFAOYSA-N,C(F)(F)(F)S(=O)(=O)O,yes
54,67815,JGTNAGYHADQMCM-UHFFFAOYSA-N,C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F,yes
54,75922,ACEKLXZRZOWKRY-UHFFFAOYSA-N,C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F,yes
54,67734,QZHDEAJFRJCDMF-UHFFFAOYSA-N,C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F,yes
54,67820,OYGQVDSRYXATEL-UHFFFAOYSA-N,C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F,yes
54,74483,YFSUTJLHUFNCNZ-UHFFFAOYSA-N,C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,yes
54,119688,VIONGDJUYAYOPU-UHFFFAOYSA-N,C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,yes
54,22568738,GGOUUEMCWBTDMT-UHFFFAOYSA-N,C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,yes
54,15099039,SZVGIJOITCPDPM-UHFFFAOYSA-N,C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F,no
54,69785,RRRXPPIDPYTNJG-UHFFFAOYSA-N,C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F,yes
54,57358058,FVHYBZSZYQKTPP-UHFFFAOYSA-N,C(=O)(C(OC(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O,no
54,3078139,LGHZJDKSVUTELU-UHFFFAOYSA-N,C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F,yes
55,65280,GXPIUNZCALHVBA-UHFFFAOYSA-N,CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C,yes
55,162367329,HBFNXGQYHPXHCK-OGIHXABMSA-N,C[C@H]1C[C@H]2C3=C([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)[C@]4(C=CC(=O)C=C4CC3)C,no
55,564238,BZDWENUBDLILHM-UHFFFAOYSA-N,C1C2CC3CC1CC(=C3)C2,no
55,16616,NRPTXWYBRKRZES-UHFFFAOYSA-N,CC1=C(C(=CC=C1)C)NC(=O)C,no
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56,67545,CXGONMQFMIYUJR-UHFFFAOYSA-N,C(=O)(C(C(C(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)(F)F)(F)F)(F)F)O,yes
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56,119688,VIONGDJUYAYOPU-UHFFFAOYSA-N,C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F,yes
56,22568738,GGOUUEMCWBTDMT-UHFFFAOYSA-N,C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F,yes
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57,5281807,HKEAFJYKMMKDOR-VPRICQMDSA-N,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O,yes
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57,2249,METKIMKYRPQLGS-UHFFFAOYSA-N,CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O,yes
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