smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c1 ZINC000408557578 231060151 /nfs/dbraw/zinc/06/01/51/231060151.db2.gz OWCIMTRKUZKBGV-UHFFFAOYSA-N 0 1 388.405 3.219 40 5 GGBBMN COc1cc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000408559236 532983766 /nfs/dbraw/zinc/98/37/66/532983766.db2.gz YOAKAGPFPVFSIC-UHFFFAOYSA-N 0 1 385.405 3.119 40 5 GGBBMN COc1cc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)ccc1[N+](=O)[O-] ZINC000408555358 532984464 /nfs/dbraw/zinc/98/44/64/532984464.db2.gz WTVIQUKCRKFNHC-UHFFFAOYSA-N 0 1 399.432 3.043 40 5 GGBBMN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000409229067 533471159 /nfs/dbraw/zinc/47/11/59/533471159.db2.gz JGVLUEJIBAAEET-WUXMJOGZSA-N 0 1 389.751 3.060 40 5 GGBBMN CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c1O ZINC000409229023 528336649 /nfs/dbraw/zinc/33/66/49/528336649.db2.gz INUANOSUICKQSC-CXUHLZMHSA-N 0 1 397.387 3.100 40 5 GGBBMN CCOc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c1O ZINC000409038785 528337285 /nfs/dbraw/zinc/33/72/85/528337285.db2.gz FQSBRRYNICWCKN-GDNBJRDFSA-N 0 1 399.428 3.304 40 5 GGBBMN CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000225147998 528538818 /nfs/dbraw/zinc/53/88/18/528538818.db2.gz QVOFBMWKYUXTMD-UHFFFAOYSA-N 0 1 393.446 3.353 40 5 GGBBMN COc1cc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000216434852 565895388 /nfs/dbraw/zinc/89/53/88/565895388.db2.gz CWGONJBAVZGHAE-UHFFFAOYSA-N 0 1 386.813 3.207 40 5 GGBBMN COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1O ZINC000222569864 570747117 /nfs/dbraw/zinc/74/71/17/570747117.db2.gz ITPZVXAEJWRNAU-JQAFLVLXSA-N 0 1 386.433 3.293 40 5 GGBBMN COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1O ZINC000222569925 570747355 /nfs/dbraw/zinc/74/73/55/570747355.db2.gz ITPZVXAEJWRNAU-CIISACIHSA-N 0 1 386.433 3.293 40 5 GGBBMN COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000032763303 570800781 /nfs/dbraw/zinc/80/07/81/570800781.db2.gz ALWWLYZBBPGRHR-OAHLLOKOSA-N 0 1 375.450 3.232 40 5 GGBBMN CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC2[N+](=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000046914721 570936520 /nfs/dbraw/zinc/93/65/20/570936520.db2.gz AMVSXUNJUVIMKS-WFXMLNOXSA-N 0 1 392.459 3.147 40 5 GGBBMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000007342088 1398656978 /nfs/dbraw/zinc/65/69/78/1398656978.db2.gz UMZIXGRQZSDEOF-UHFFFAOYSA-N 0 1 397.416 3.313 40 5 GGBBMN O=[N+]([O-])c1ccccc1-c1nnc(CSc2nc(-c3ccccc3O)n[nH]2)o1 ZINC000008435628 1398831866 /nfs/dbraw/zinc/83/18/66/1398831866.db2.gz GETWUINWRHQGJD-UHFFFAOYSA-N 0 1 396.388 3.428 40 5 GGBBMN COc1ccccc1-c1n[nH]c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000010475523 1398895616 /nfs/dbraw/zinc/89/56/16/1398895616.db2.gz PVSQIDITVMIYJP-UHFFFAOYSA-N 0 1 385.405 3.119 40 5 GGBBMN Cc1ccc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)cc1[N+](=O)[O-] ZINC000408580585 231066366 /nfs/dbraw/zinc/06/63/66/231066366.db2.gz CRFAUTQCGWBWFL-UHFFFAOYSA-N 0 1 383.433 3.343 40 5 GGBBMN CCOC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000020461648 207196529 /nfs/dbraw/zinc/19/65/29/207196529.db2.gz JDKXXHZROKNUSB-UHFFFAOYSA-N 0 1 384.797 3.226 40 5 GGBBMN COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1O ZINC000409065726 533132863 /nfs/dbraw/zinc/13/28/63/533132863.db2.gz JFRANORTSBJJQF-AWNIVKPZSA-N 0 1 389.751 3.060 40 5 GGBBMN COc1ccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc1[N+](=O)[O-] ZINC000408603989 533299510 /nfs/dbraw/zinc/29/95/10/533299510.db2.gz CLXJEKLHKYWTLQ-IBGZPJMESA-N 0 1 395.459 3.266 40 5 GGBBMN O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3CCCc3ccccc3)n2)c1 ZINC000015674847 560095857 /nfs/dbraw/zinc/09/58/57/560095857.db2.gz OLJXBKLONXAGDA-MOPGFXCFSA-N 0 1 394.431 3.385 40 5 biogenic,in-vitro GGBBMN COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000012946945 564272525 /nfs/dbraw/zinc/27/25/25/564272525.db2.gz JURYDYKVADLLRV-UHFFFAOYSA-N 0 1 384.797 3.144 40 5 GGBBMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000007323340 570829403 /nfs/dbraw/zinc/82/94/03/570829403.db2.gz UDSKVFKNQROQBO-UHFFFAOYSA-N 0 1 378.406 3.189 40 5 GGBBMN COC(=O)c1cc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2s1 ZINC000223251776 570986185 /nfs/dbraw/zinc/98/61/85/570986185.db2.gz OXJRFDMUJFJZTB-UHFFFAOYSA-N 0 1 392.414 3.397 40 5 GGBBMN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000007472636 1398685112 /nfs/dbraw/zinc/68/51/12/1398685112.db2.gz FFQXTFIKZIENQH-UHFFFAOYSA-N 0 1 385.405 3.119 40 5 GGBBMN CCOC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000010112381 1398875845 /nfs/dbraw/zinc/87/58/45/1398875845.db2.gz GCABOCSIHCECTP-UHFFFAOYSA-N 0 1 378.406 3.189 40 5 GGBBMN COc1ccc([C@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)cc1OC ZINC000100848885 1410439560 /nfs/dbraw/zinc/43/95/60/1410439560.db2.gz IDUCOQQKMKDLIN-INIZCTEOSA-N 0 1 383.404 3.312 40 5 GGBBMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000216310754 1433363385 /nfs/dbraw/zinc/36/33/85/1433363385.db2.gz CHVGFWMXLDAHLM-UHFFFAOYSA-N 0 1 398.400 3.043 40 5 GGBBMN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2cccc(C)c2)n[nH]1 ZINC000020051087 210313978 /nfs/dbraw/zinc/31/39/78/210313978.db2.gz JNVFXWDWLRFPIG-UHFFFAOYSA-N 0 1 399.432 3.428 40 5 GGBBMN COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc([N+](=O)[O-])c1O ZINC000409091131 533470169 /nfs/dbraw/zinc/47/01/69/533470169.db2.gz PMRQBMJYJSELFS-ZROIWOOFSA-N 0 1 391.449 3.042 40 5 GGBBMN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000192680915 534339941 /nfs/dbraw/zinc/33/99/41/534339941.db2.gz PAROADMVVWVPLA-UHFFFAOYSA-N 0 1 383.433 3.343 40 5 GGBBMN CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000225147946 528538958 /nfs/dbraw/zinc/53/89/58/528538958.db2.gz LZWCWEYBWWPYPM-UHFFFAOYSA-N 0 1 393.446 3.353 40 5 GGBBMN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3cccnc3)n[nH]2)cc1[N+](=O)[O-] ZINC000005027620 570398427 /nfs/dbraw/zinc/39/84/27/570398427.db2.gz FIRYZBXRGRTQJC-NSHDSACASA-N 0 1 384.421 3.203 40 5 GGBBMN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3cccnc3)n[nH]2)cc1[N+](=O)[O-] ZINC000005027619 570398537 /nfs/dbraw/zinc/39/85/37/570398537.db2.gz FIRYZBXRGRTQJC-LLVKDONJSA-N 0 1 384.421 3.203 40 5 GGBBMN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000044901133 570981383 /nfs/dbraw/zinc/98/13/83/570981383.db2.gz FRCHBKCGHRGELG-UHFFFAOYSA-N 0 1 398.400 3.043 40 5 GGBBMN O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000028812217 1400199381 /nfs/dbraw/zinc/19/93/81/1400199381.db2.gz PUJZTZCDRUMYRF-OAHLLOKOSA-N 0 1 379.420 3.253 40 5 GGBBMN O=C(Nc1ccccc1)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000028812218 1400199562 /nfs/dbraw/zinc/19/95/62/1400199562.db2.gz PUJZTZCDRUMYRF-HNNXBMFYSA-N 0 1 379.420 3.253 40 5 GGBBMN COc1ccc([C@H](C[N+](=O)[O-])c2c(C)[nH]n(-c3ccccc3)c2=O)c(OC)c1 ZINC000100848890 1410439621 /nfs/dbraw/zinc/43/96/21/1410439621.db2.gz PAVXUKNZTCTCNJ-KRWDZBQOSA-N 0 1 383.404 3.312 40 5 GGBBMN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl ZINC000226821084 1433369088 /nfs/dbraw/zinc/36/90/88/1433369088.db2.gz LZJLVBZWMTYVDK-UHFFFAOYSA-N 0 1 378.797 3.301 40 5 GGBBMN CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C2/Sc3ccccc3NC2=O)CC1 ZINC000409094683 529777475 /nfs/dbraw/zinc/77/74/75/529777475.db2.gz GBMLPHDJCJSVKR-CPNJWEJPSA-N 0 1 396.472 3.432 40 5 GGBBMN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001005521 212204043 /nfs/dbraw/zinc/20/40/43/212204043.db2.gz PIVHAUKCNIKHCM-INIZCTEOSA-N 0 1 387.417 3.211 40 5 GGBBMN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(Cc2ccccc2)n[nH]1 ZINC000408581603 533223933 /nfs/dbraw/zinc/22/39/33/533223933.db2.gz JLTOAXFRATUTBF-UHFFFAOYSA-N 0 1 399.432 3.043 40 5 GGBBMN COc1cc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc([N+](=O)[O-])c1O ZINC000408796635 533475973 /nfs/dbraw/zinc/47/59/73/533475973.db2.gz BEHZCYNIMZPNHD-UHFFFAOYSA-N 0 1 390.372 3.211 40 5 GGBBMN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C3CCCCCCC3)CC2)cc1 ZINC000054991922 222014747 /nfs/dbraw/zinc/01/47/47/222014747.db2.gz ATWIVTVXVWQFSJ-UHFFFAOYSA-N 0 1 381.498 3.014 40 5 GGBBMN O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000006322558 564222436 /nfs/dbraw/zinc/22/24/36/564222436.db2.gz TUENRYHBOJCNDY-UHFFFAOYSA-N 0 1 379.398 3.311 40 5 GGBBMN CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000020456853 564307099 /nfs/dbraw/zinc/30/70/99/564307099.db2.gz MDLWXIKRJSGGLL-UHFFFAOYSA-N 0 1 384.797 3.226 40 5 GGBBMN O=C(NCCc1ccccc1F)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000047937014 570216555 /nfs/dbraw/zinc/21/65/55/570216555.db2.gz CDNPDONQJWJMGK-UHFFFAOYSA-N 0 1 385.439 3.305 40 5 GGBBMN O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCCC1 ZINC000006176957 570281825 /nfs/dbraw/zinc/28/18/25/570281825.db2.gz CSHWGZREXSVZND-UHFFFAOYSA-N 0 1 389.433 3.022 40 5 GGBBMN O=C(c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)N1CCCCC1 ZINC000014225834 570297184 /nfs/dbraw/zinc/29/71/84/570297184.db2.gz DJBSEARLBVSQKS-UHFFFAOYSA-N 0 1 389.433 3.022 40 5 GGBBMN O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004902541 570359468 /nfs/dbraw/zinc/35/94/68/570359468.db2.gz QZHZFYSWPDMKKO-UHFFFAOYSA-N 0 1 390.812 3.159 40 5 GGBBMN COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1O ZINC000222569796 570747272 /nfs/dbraw/zinc/74/72/72/570747272.db2.gz ITPZVXAEJWRNAU-AMKSKSKJSA-N 0 1 386.433 3.293 40 5 GGBBMN Cc1nc(-c2ccccc2)[nH]c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000032933267 570946169 /nfs/dbraw/zinc/94/61/69/570946169.db2.gz GIPYEZFOEDMVAG-UHFFFAOYSA-N 0 1 380.360 3.089 40 5 GGBBMN COc1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)n[nH]2)c([N+](=O)[O-])c1 ZINC000019927503 1399339285 /nfs/dbraw/zinc/33/92/85/1399339285.db2.gz YHUFFBNZPUKMLG-UHFFFAOYSA-N 0 1 399.432 3.428 40 5 GGBBMN O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000027741309 1400085182 /nfs/dbraw/zinc/08/51/82/1400085182.db2.gz ZNWCBHDAMBKPKX-KRWDZBQOSA-N 0 1 389.477 3.379 40 5 GGBBMN O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000059498688 1407923321 /nfs/dbraw/zinc/92/33/21/1407923321.db2.gz YWTHBOHFMCGJNB-UHFFFAOYSA-N 0 1 399.388 3.392 40 5 GGBBMN N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000225237349 1433366821 /nfs/dbraw/zinc/36/68/21/1433366821.db2.gz VTTOCWHAXMRTSM-UHFFFAOYSA-N 0 1 395.250 3.465 40 5 GGBBMN COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)[nH]c2c1 ZINC000004274645 204035726 /nfs/dbraw/zinc/03/57/26/204035726.db2.gz HLIGTHFXBJNCAN-UHFFFAOYSA-N 0 1 388.405 3.219 40 5 GGBBMN CCc1nc(N)nc(N)c1-c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000005479500 204135141 /nfs/dbraw/zinc/13/51/41/204135141.db2.gz QYERPKPGUXIFHG-UHFFFAOYSA-N 0 1 378.436 3.433 40 5 GGBBMN O=[N+]([O-])c1ccc(/C=C/c2cc(N(CCO)CCO)c3ccccc3n2)cc1 ZINC000006576305 204185110 /nfs/dbraw/zinc/18/51/10/204185110.db2.gz ZTVPIPDNMUSRSU-VMPITWQZSA-N 0 1 379.416 3.104 40 5 GGBBMN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 ZINC000006906626 204223108 /nfs/dbraw/zinc/22/31/08/204223108.db2.gz WJHMOLRRFVCPMG-UHFFFAOYSA-N 0 1 385.405 3.119 40 5 GGBBMN CCOC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000044849450 205087338 /nfs/dbraw/zinc/08/73/38/205087338.db2.gz IIHXCDRAEZUKHQ-UHFFFAOYSA-N 0 1 384.797 3.226 40 5 GGBBMN CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC2[N+](=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000046914717 205665364 /nfs/dbraw/zinc/66/53/64/205665364.db2.gz AMVSXUNJUVIMKS-UEXGIBASSA-N 0 1 392.459 3.147 40 5 GGBBMN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Cl ZINC000223830400 206007902 /nfs/dbraw/zinc/00/79/02/206007902.db2.gz JOJMSWRDUOGWLX-UHFFFAOYSA-N 0 1 384.797 3.144 40 5 GGBBMN COc1ccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1[N+](=O)[O-] ZINC000408603991 533295550 /nfs/dbraw/zinc/29/55/50/533295550.db2.gz CLXJEKLHKYWTLQ-LJQANCHMSA-N 0 1 395.459 3.266 40 5 GGBBMN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000409251799 528194572 /nfs/dbraw/zinc/19/45/72/528194572.db2.gz QHOHQAIJOQNBLZ-OVCLIPMQSA-N 0 1 397.387 3.100 40 5 GGBBMN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(-c2cccnc2)n[nH]1 ZINC000004954335 570380454 /nfs/dbraw/zinc/38/04/54/570380454.db2.gz VIHBMYQGVGBPNE-NSHDSACASA-N 0 1 384.421 3.203 40 5 GGBBMN CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCC ZINC000007927682 570432445 /nfs/dbraw/zinc/43/24/45/570432445.db2.gz HTVPQTFOVACKHX-UHFFFAOYSA-N 0 1 396.421 3.202 40 5 GGBBMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2O)n[nH]1 ZINC000004129450 570616496 /nfs/dbraw/zinc/61/64/96/570616496.db2.gz OCVCBJVRGUZLJP-UHFFFAOYSA-N 0 1 385.405 3.125 40 5 GGBBMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2)cc1 ZINC000060383603 570743884 /nfs/dbraw/zinc/74/38/84/570743884.db2.gz XJKHZMLZIMBUIQ-UHFFFAOYSA-N 0 1 399.432 3.428 40 5 GGBBMN CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001005522 570744473 /nfs/dbraw/zinc/74/44/73/570744473.db2.gz PIVHAUKCNIKHCM-MRXNPFEDSA-N 0 1 387.417 3.211 40 5 GGBBMN COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] ZINC000032763304 570800757 /nfs/dbraw/zinc/80/07/57/570800757.db2.gz ALWWLYZBBPGRHR-HNNXBMFYSA-N 0 1 375.450 3.232 40 5 GGBBMN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007553138 570879326 /nfs/dbraw/zinc/87/93/26/570879326.db2.gz RILHCIACTVQLLZ-INIZCTEOSA-N 0 1 387.417 3.211 40 5 GGBBMN CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007553134 570879497 /nfs/dbraw/zinc/87/94/97/570879497.db2.gz RILHCIACTVQLLZ-MRXNPFEDSA-N 0 1 387.417 3.211 40 5 GGBBMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)cc1 ZINC000006141472 1398535328 /nfs/dbraw/zinc/53/53/28/1398535328.db2.gz UIGPZRNURICVFF-UHFFFAOYSA-N 0 1 399.432 3.428 40 5 GGBBMN Cc1ccc(NC(=O)CSc2nc(Cc3ccccc3)n[nH]2)c([N+](=O)[O-])c1 ZINC000010475600 1398895469 /nfs/dbraw/zinc/89/54/69/1398895469.db2.gz 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