smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)N(CCC2=CCCCC2)C(=O)C1=CNc1cccc(F)c1 ZINC000009287926 204360914 /nfs/dbraw/zinc/36/09/14/204360914.db2.gz FBQDZBJPPSSEAR-FOWTUZBSSA-N -1 1 373.453 3.255 50 10 FGCAMM Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1 ZINC000101148268 570817311 /nfs/dbraw/zinc/81/73/11/570817311.db2.gz DISQXXPFWLFDGK-OQLLNIDSSA-N -1 1 371.780 3.462 50 10 FGCAMM Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000000843348 493776447 /nfs/dbraw/zinc/77/64/47/493776447.db2.gz HJFKQBGVHYOVDS-UHFFFAOYSA-N -1 1 353.447 3.466 50 10 FGCAMM Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000000843348 493776449 /nfs/dbraw/zinc/77/64/49/493776449.db2.gz HJFKQBGVHYOVDS-UHFFFAOYSA-N -1 1 353.447 3.466 50 10 FGCAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000000843348 493776452 /nfs/dbraw/zinc/77/64/52/493776452.db2.gz HJFKQBGVHYOVDS-UHFFFAOYSA-N -1 1 353.447 3.466 50 10 FGCAMM COc1cc([N+](=O)[O-])cc(CN2CCN(c3cc(C)ccc3C)CC2)c1[O-] ZINC000004980358 493905672 /nfs/dbraw/zinc/90/56/72/493905672.db2.gz FXXDSHPJEUEFEE-UHFFFAOYSA-N -1 1 371.437 3.248 50 10 FGCAMM Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1 ZINC000100945116 222258291 /nfs/dbraw/zinc/25/82/91/222258291.db2.gz VIFURMJJPQZNQB-YBEGLDIGSA-N -1 1 365.389 3.426 50 10 FGCAMM O=c1c2ccc3c(c2[n-]n1Cc1ccccc1)C(=O)c1ccccc1C3=O ZINC000003894287 204112602 /nfs/dbraw/zinc/11/26/02/204112602.db2.gz ANMNTQXZCKEMQQ-UHFFFAOYSA-N -1 1 354.365 3.153 50 10 FGCAMM CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)[N-]C1=S ZINC000009487128 204371147 /nfs/dbraw/zinc/37/11/47/204371147.db2.gz PRAKNMQWMGRIMB-BOPFTXTBSA-N -1 1 367.474 3.460 50 10 FGCAMM Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=C1SC(=S)[N-]C1=O ZINC000012407192 204460219 /nfs/dbraw/zinc/46/02/19/204460219.db2.gz KLSHDIDBVFYBJI-USPJWIJHSA-N -1 1 358.488 3.486 50 10 FGCAMM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=S)N(CC)C2=O)c(OC)c1 ZINC000001130419 493785983 /nfs/dbraw/zinc/78/59/83/493785983.db2.gz NCFYDEOFZYGJSQ-GXDHUFHOSA-N -1 1 361.467 3.028 50 10 FGCAMM COC(=O)c1ccc(-n2c(C)cc(C=C3SC(=O)[N-]C3=O)c2C)cc1 ZINC000001208520 493789556 /nfs/dbraw/zinc/78/95/56/493789556.db2.gz AFOMADSNZBIQCS-OQLLNIDSSA-N -1 1 356.403 3.205 50 10 FGCAMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(Cl)cc1Cl ZINC000004147608 493866327 /nfs/dbraw/zinc/86/63/27/493866327.db2.gz GDADYGXRMBLHTR-UHFFFAOYSA-N -1 1 362.190 3.198 50 10 FGCAMM COC(=O)c1cccc(-n2c(C)cc(C=C3SC(=O)[N-]C3=O)c2C)c1 ZINC000013424462 494287051 /nfs/dbraw/zinc/28/70/51/494287051.db2.gz VXEYUWANWDGQJE-DHDCSXOGSA-N -1 1 356.403 3.205 50 10 FGCAMM O=C1[N-]C(=S)N(C2CCCCC2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000013773791 494297077 /nfs/dbraw/zinc/29/70/77/494297077.db2.gz ULUFQQDNJHUPAN-BENRWUELSA-N -1 1 354.435 3.363 50 10 FGCAMM COc1ccc(C(=O)Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000015746260 494368150 /nfs/dbraw/zinc/36/81/50/494368150.db2.gz DPMCIBHDQFVRPL-GDNBJRDFSA-N -1 1 371.439 3.403 50 10 FGCAMM O=C1[N-]C(=S)N(CCC2=CCCCC2)C(=O)C1=CNc1ccccc1F ZINC000005047259 204186903 /nfs/dbraw/zinc/18/69/03/204186903.db2.gz JBSYCLTXLNHYLR-WYMLVPIESA-N -1 1 373.453 3.255 50 10 FGCAMM Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1 ZINC000016284816 494382550 /nfs/dbraw/zinc/38/25/50/494382550.db2.gz VIFURMJJPQZNQB-MHWRWJLKSA-N -1 1 365.389 3.426 50 10 FGCAMM CC(=O)N(c1nc(C=C2SC(=S)[N-]C2=O)cs1)c1ccccc1 ZINC000009575320 207277800 /nfs/dbraw/zinc/27/78/00/207277800.db2.gz RDHIWMJTSONFQG-GHXNOFRVSA-N -1 1 361.473 3.317 50 10 FGCAMM Cc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)C2=C1SC(=S)[N-]C1=O ZINC000012406204 207371295 /nfs/dbraw/zinc/37/12/95/207371295.db2.gz HRVLWOIRZNOVTR-OWBHPGMISA-N -1 1 356.472 3.396 50 10 FGCAMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c2ccccc12 ZINC000000717494 493769522 /nfs/dbraw/zinc/76/95/22/493769522.db2.gz MCMYOPLTMGXIEN-UHFFFAOYSA-N -1 1 357.387 3.378 50 10 FGCAMM O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000005048100 493910679 /nfs/dbraw/zinc/91/06/79/493910679.db2.gz JHEQIHIAKPKIIW-UHFFFAOYSA-N -1 1 363.178 3.408 50 10 FGCAMM Cc1cc(=O)[n-]c(NNC(=S)Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000015481583 494355967 /nfs/dbraw/zinc/35/59/67/494355967.db2.gz MQWMSWHBFSDYKM-UHFFFAOYSA-N -1 1 367.434 3.184 50 10 FGCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1cccc(OCc2ccccc2F)c1 ZINC000017207334 494411024 /nfs/dbraw/zinc/41/10/24/494411024.db2.gz KHJBRZFWHALAEF-UHFFFAOYSA-N -1 1 356.378 3.159 50 10 FGCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000017207334 494411029 /nfs/dbraw/zinc/41/10/29/494411029.db2.gz KHJBRZFWHALAEF-UHFFFAOYSA-N -1 1 356.378 3.159 50 10 FGCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1cccc(OCc2ccccc2F)c1 ZINC000017207334 494411033 /nfs/dbraw/zinc/41/10/33/494411033.db2.gz KHJBRZFWHALAEF-UHFFFAOYSA-N -1 1 356.378 3.159 50 10 FGCAMM CS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)c1ccccc1 ZINC000001115459 219372282 /nfs/dbraw/zinc/37/22/82/219372282.db2.gz PORSIUILTZMUJX-UHFFFAOYSA-N -1 1 354.225 3.052 50 10 FGCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000000816783 493774986 /nfs/dbraw/zinc/77/49/86/493774986.db2.gz MWERUFOPKZUFNX-UHFFFAOYSA-N -1 1 367.213 3.168 50 10 FGCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000002269599 493804591 /nfs/dbraw/zinc/80/45/91/493804591.db2.gz IRCSUJVJORYAHZ-UHFFFAOYSA-N -1 1 356.378 3.159 50 10 FGCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000002269599 493804592 /nfs/dbraw/zinc/80/45/92/493804592.db2.gz IRCSUJVJORYAHZ-UHFFFAOYSA-N -1 1 356.378 3.159 50 10 FGCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000002269599 493804595 /nfs/dbraw/zinc/80/45/95/493804595.db2.gz IRCSUJVJORYAHZ-UHFFFAOYSA-N -1 1 356.378 3.159 50 10 FGCAMM O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000007905011 494051545 /nfs/dbraw/zinc/05/15/45/494051545.db2.gz BRSFICHPYPIZNC-GDNBJRDFSA-N -1 1 364.455 3.423 50 10 FGCAMM CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)c(O)c1 ZINC000016672066 494398667 /nfs/dbraw/zinc/39/86/67/494398667.db2.gz KLSUCZXXBANPNK-PDGQHHTCSA-N -1 1 365.433 3.008 50 10 FGCAMM Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])c(O)c1 ZINC000018209605 494428619 /nfs/dbraw/zinc/42/86/19/494428619.db2.gz ZZDQYKQJOSBZLE-MHWRWJLKSA-N -1 1 351.362 3.117 50 10 FGCAMM CC[C@@H](C)N1C(=O)C(=CNc2cccc(C(F)(F)F)c2)C(=O)[N-]C1=S ZINC000009349851 207268273 /nfs/dbraw/zinc/26/82/73/207268273.db2.gz WZJUDUYVANMNHB-YXYQAXARSA-N -1 1 371.384 3.043 50 10 FGCAMM CCn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1cccs1 ZINC000089302515 523231925 /nfs/dbraw/zinc/23/19/25/523231925.db2.gz BIWGRUGSGYAQHM-UHFFFAOYSA-N -1 1 361.448 3.413 50 10 FGCAMM CCOc1c(Br)cc(C=C2SC(=S)[N-]C2=O)cc1OC ZINC000012357594 207366382 /nfs/dbraw/zinc/36/63/82/207366382.db2.gz DWGIHJSRNLEFOQ-UXBLZVDNSA-N -1 1 374.281 3.345 50 10 FGCAMM O=C1[N-]C(=S)S/C1=C1/c2ccccc2N(Cc2ccccc2)C1=O ZINC000002823035 493821219 /nfs/dbraw/zinc/82/12/19/493821219.db2.gz XDDMDAWZEQLMDK-PFONDFGASA-N -1 1 352.440 3.092 50 10 FGCAMM Cc1oc2c(ccc([O-])c2CN(C)C)c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000020111162 494467537 /nfs/dbraw/zinc/46/75/37/494467537.db2.gz AKEBJLCBLVMHQM-UHFFFAOYSA-N -1 1 367.401 3.307 50 10 FGCAMM [O-]c1c([C@H](c2ccncc2)N2CCOCC2)cc(Cl)c2cccnc12 ZINC000021486922 494497000 /nfs/dbraw/zinc/49/70/00/494497000.db2.gz JDPDCZOGRJHMBV-SFHVURJKSA-N -1 1 355.825 3.410 50 10 FGCAMM O=C1[N-]C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N1 ZINC000001062677 219361993 /nfs/dbraw/zinc/36/19/93/219361993.db2.gz BWEFKEJJNLSXSQ-UHFFFAOYSA-N -1 1 351.145 3.003 50 10 FGCAMM O=C1[N-]C(=O)/C(=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)C(=O)N1 ZINC000001062677 219361997 /nfs/dbraw/zinc/36/19/97/219361997.db2.gz BWEFKEJJNLSXSQ-UHFFFAOYSA-N -1 1 351.145 3.003 50 10 FGCAMM CC(C)c1nc2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc2[nH]1 ZINC000094993029 209019029 /nfs/dbraw/zinc/01/90/29/209019029.db2.gz HOGSXEKTTJJDBC-UHFFFAOYSA-N -1 1 357.395 3.023 50 10 FGCAMM Cc1ccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)n2C)cc1 ZINC000001274349 493791315 /nfs/dbraw/zinc/79/13/15/493791315.db2.gz KBRGWBYVRINALN-UHFFFAOYSA-N -1 1 355.419 3.177 50 10 FGCAMM CCCCN(CCCC)c1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000002834082 493822007 /nfs/dbraw/zinc/82/20/07/493822007.db2.gz LNYRUORBLCQWDB-UHFFFAOYSA-N -1 1 359.495 3.008 50 10 FGCAMM Cc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000013815485 494297160 /nfs/dbraw/zinc/29/71/60/494297160.db2.gz NCPVUYUPILLWDP-MOSHPQCFSA-N -1 1 373.412 3.261 50 10 FGCAMM O=[N+]([O-])c1ccc([O-])c(CN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000019632975 494453002 /nfs/dbraw/zinc/45/30/02/494453002.db2.gz OMTZPYLPOIPAFK-QPJJXVBHSA-N -1 1 353.422 3.131 50 10 FGCAMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1Cn1nc(C)cc1C ZINC000008336589 207230374 /nfs/dbraw/zinc/23/03/74/207230374.db2.gz PDBJMZFTLPTQRN-OVCLIPMQSA-N -1 1 359.476 3.457 50 10 FGCAMM CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1O ZINC000012536036 207387909 /nfs/dbraw/zinc/38/79/09/207387909.db2.gz UWXQEKUIZFUUMT-UHFFFAOYSA-N -1 1 374.340 3.170 50 10 FGCAMM CN(C)c1ccc(CN(C)C(=O)c2cc(Br)ccc2[O-])cc1 ZINC000032741084 208037748 /nfs/dbraw/zinc/03/77/48/208037748.db2.gz JWGDPONRMSVMIE-UHFFFAOYSA-N -1 1 363.255 3.493 50 10 FGCAMM [O-]c1c([C@@H](c2ccccn2)N2CCOCC2)cc(Cl)c2cccnc12 ZINC000019879782 494462654 /nfs/dbraw/zinc/46/26/54/494462654.db2.gz IVBVBQKSDVSGEA-SFHVURJKSA-N -1 1 355.825 3.410 50 10 FGCAMM Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000008997328 207255059 /nfs/dbraw/zinc/25/50/59/207255059.db2.gz JSJIBWYBOKPLIG-UHFFFAOYSA-N -1 1 353.447 3.466 50 10 FGCAMM Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000008997328 207255062 /nfs/dbraw/zinc/25/50/62/207255062.db2.gz JSJIBWYBOKPLIG-UHFFFAOYSA-N -1 1 353.447 3.466 50 10 FGCAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000008997328 207255065 /nfs/dbraw/zinc/25/50/65/207255065.db2.gz JSJIBWYBOKPLIG-UHFFFAOYSA-N -1 1 353.447 3.466 50 10 FGCAMM [O-]c1c([C@@H](c2ccncc2)N2CCOCC2)cc(Cl)c2cccnc12 ZINC000021486923 494497521 /nfs/dbraw/zinc/49/75/21/494497521.db2.gz JDPDCZOGRJHMBV-GOSISDBHSA-N -1 1 355.825 3.410 50 10 FGCAMM O=C(CSc1nnc(NCc2ccco2)s1)c1ccc([O-])c(O)c1 ZINC000014134790 494304597 /nfs/dbraw/zinc/30/45/97/494304597.db2.gz QGJMHDXVTKZGEB-UHFFFAOYSA-N -1 1 363.420 3.129 50 10 FGCAMM COc1ccc(NC(=O)c2[nH]c[nH+]c2[N-]N=C2C=CC([O-])=CC2=O)cc1 ZINC000006694025 210090534 /nfs/dbraw/zinc/09/05/34/210090534.db2.gz YVTJCAZCOOUUGA-QURGRASLSA-N -1 1 353.338 3.497 50 10 FGCAMM COc1ccc(NC(=O)c2[nH]cnc2NN=C2C=CC([O-])=CC2=O)cc1 ZINC000006694025 210090537 /nfs/dbraw/zinc/09/05/37/210090537.db2.gz YVTJCAZCOOUUGA-QURGRASLSA-N -1 1 353.338 3.497 50 10 FGCAMM Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NC1CCCCCCC1 ZINC000005345425 210615619 /nfs/dbraw/zinc/61/56/19/210615619.db2.gz RKEAOCCFPFAHAB-UHFFFAOYSA-N -1 1 359.422 3.284 50 10 FGCAMM CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC000001173550 210328767 /nfs/dbraw/zinc/32/87/67/210328767.db2.gz AJNJIAQYKBMFCM-UHFFFAOYSA-N -1 1 371.824 3.364 50 10 FGCAMM O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)c1 ZINC000032124550 493976017 /nfs/dbraw/zinc/97/60/17/493976017.db2.gz OQHJSOSZNUBMCF-ATVHPVEESA-N -1 1 374.352 3.106 50 10 FGCAMM COc1cccc(-n2ccnc2SCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000026044910 494798276 /nfs/dbraw/zinc/79/82/76/494798276.db2.gz VQDGXSLNUQJBTI-UHFFFAOYSA-N -1 1 356.403 3.267 50 10 FGCAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000000660033 210259991 /nfs/dbraw/zinc/25/99/91/210259991.db2.gz NGQCFMJKNFZDFY-UHFFFAOYSA-N -1 1 367.474 3.132 50 10 FGCAMM COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1 ZINC000002772617 493818488 /nfs/dbraw/zinc/81/84/88/493818488.db2.gz BIGONBPUJRNZQC-QPEQYQDCSA-N -1 1 362.388 3.352 50 10 FGCAMM O=C(CSc1nnc2sc3ccccc3n12)c1ccc([O-])c(O)c1 ZINC000008710425 494100636 /nfs/dbraw/zinc/10/06/36/494100636.db2.gz FRGLARXFAMXHIP-UHFFFAOYSA-N -1 1 357.416 3.330 50 10 FGCAMM Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)N1CCCc2ccccc21 ZINC000012894359 494268036 /nfs/dbraw/zinc/26/80/36/494268036.db2.gz XHMBSDZWORIHHN-UHFFFAOYSA-N -1 1 365.385 3.035 50 10 FGCAMM COC(=O)c1cccc(-n2c(C)cc(C=C3SC(=O)[N-]C3=O)c2C)c1 ZINC000004140822 493866367 /nfs/dbraw/zinc/86/63/67/493866367.db2.gz VXEYUWANWDGQJE-OQLLNIDSSA-N -1 1 356.403 3.205 50 10 FGCAMM Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000034235030 494065962 /nfs/dbraw/zinc/06/59/62/494065962.db2.gz WBSPIDVAXUVDQY-XNTDXEJSSA-N -1 1 352.350 3.327 50 10 FGCAMM CN(C)Cc1c([O-])ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc21 ZINC000019883097 211260405 /nfs/dbraw/zinc/26/04/05/211260405.db2.gz SJJUEMGTRSYBOE-UHFFFAOYSA-N -1 1 361.401 3.413 50 10 FGCAMM CCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=S)NC3=O)c2C)cc1 ZINC000001210689 210335587 /nfs/dbraw/zinc/33/55/87/210335587.db2.gz RVYVQIMMNHCJJO-UHFFFAOYSA-N -1 1 353.447 3.411 50 10 FGCAMM CCc1ccc(-n2c(C)cc(/C=C3/C(=O)[N-]C(=S)NC3=O)c2C)cc1 ZINC000001210689 210335589 /nfs/dbraw/zinc/33/55/89/210335589.db2.gz RVYVQIMMNHCJJO-UHFFFAOYSA-N -1 1 353.447 3.411 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CCOc1cc(Br)cc(C=C2SC(=S)[N-]C2=O)c1O ZINC000002916338 204068106 /nfs/dbraw/zinc/06/81/06/204068106.db2.gz RORVDBWQFHWTSV-RUDMXATFSA-N -1 1 360.254 3.042 50 10 FGCAMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000111995482 206086815 /nfs/dbraw/zinc/08/68/15/206086815.db2.gz RAZZBTWKRNIBDG-UHFFFAOYSA-N -1 1 373.478 3.436 50 10 FGCAMM COc1cccc(-n2c(C)cc(C(=O)CSc3nccc(=O)[n-]3)c2C)c1 ZINC000017903951 494419376 /nfs/dbraw/zinc/41/93/76/494419376.db2.gz CSJXZDOYCDOVAJ-UHFFFAOYSA-N -1 1 369.446 3.161 50 10 FGCAMM Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000004982645 204182469 /nfs/dbraw/zinc/18/24/69/204182469.db2.gz WBSPIDVAXUVDQY-GDNBJRDFSA-N -1 1 352.350 3.327 50 10 FGCAMM O=C1[N-]C(=O)/C(=C/c2ccccc2Oc2ccc(Cl)c(F)c2)C(=O)N1 ZINC000005771150 204224389 /nfs/dbraw/zinc/22/43/89/204224389.db2.gz CDZBAWXTXWHICL-UHFFFAOYSA-N -1 1 360.728 3.021 50 10 FGCAMM O=C1[N-]C(=O)/C(=C\c2ccccc2Oc2ccc(Cl)c(F)c2)C(=O)N1 ZINC000005771150 204224392 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-1 1 372.471 3.370 50 10 FGCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OC ZINC000015010476 220141824 /nfs/dbraw/zinc/14/18/24/220141824.db2.gz DJKXWNHRSJDIDW-POHAHGRESA-N -1 1 374.281 3.345 50 10 FGCAMM CCCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccc1O ZINC000002069767 493801607 /nfs/dbraw/zinc/80/16/07/493801607.db2.gz QVLVUVVWGGDWPT-UHFFFAOYSA-N -1 1 369.826 3.413 50 10 FGCAMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)cc1[N+](=O)[O-] ZINC000004980356 493905792 /nfs/dbraw/zinc/90/57/92/493905792.db2.gz MKZYMSGLZYZTTC-UHFFFAOYSA-N -1 1 374.374 3.263 50 10 FGCAMM O=C1[N-]C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1 ZINC000003141917 493830771 /nfs/dbraw/zinc/83/07/71/493830771.db2.gz BCZLPMSPYWJEHB-UHFFFAOYSA-N -1 1 351.145 3.003 50 10 FGCAMM O=C1[N-]C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1 ZINC000003141917 493830774 /nfs/dbraw/zinc/83/07/74/493830774.db2.gz BCZLPMSPYWJEHB-UHFFFAOYSA-N -1 1 351.145 3.003 50 10 FGCAMM Cc1c(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)ccc(N2CCCC2)c1C ZINC000004749128 493891272 /nfs/dbraw/zinc/89/12/72/493891272.db2.gz GPYRJVUIRZYDJW-RGEXLXHISA-N -1 1 361.445 3.365 50 10 FGCAMM Cc1c2ccc([O-])c(O)c2oc(=O)c1CC(=O)NCc1ccccc1Cl ZINC000005345413 493926207 /nfs/dbraw/zinc/92/62/07/493926207.db2.gz LHFSUPXBAYECCM-UHFFFAOYSA-N -1 1 373.792 3.025 50 10 FGCAMM