smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)c(OCC)c1[N+](=O)[O-] ZINC000004919556 204092406 /nfs/dbraw/zinc/09/24/06/204092406.db2.gz YUWMPIYHHIXQCI-GFCCVEGCSA-N 0 1 381.410 2.055 50 5 GEBAMN O=c1c2cc3c(ccn(-c4nnc[nH]4)c3=O)nc2ccn1CCc1ccccc1 ZINC000036354715 205014008 /nfs/dbraw/zinc/01/40/08/205014008.db2.gz AGBPVZRWRVLNFZ-UHFFFAOYSA-N 0 1 384.399 2.061 50 5 GEBAMN C[C@@H]1CN(CCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000023509147 570325449 /nfs/dbraw/zinc/32/54/49/570325449.db2.gz CEMMNFRSGYCDOH-OKILXGFUSA-N 0 1 376.457 2.398 50 5 GEBAMN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O ZINC000101343288 570820626 /nfs/dbraw/zinc/82/06/26/570820626.db2.gz SFIBTYRWBSODOQ-HOCLYGCPSA-N 0 1 396.315 2.104 50 5 GEBAMN CCONC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000008706638 204284151 /nfs/dbraw/zinc/28/41/51/204284151.db2.gz RPBVGONGNPONMD-UHFFFAOYSA-N 0 1 379.394 2.385 50 5 GEBAMN Cc1ccc(S(=O)(=O)Nc2ccccc2NS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000036833135 205021122 /nfs/dbraw/zinc/02/11/22/205021122.db2.gz LSIXEMGNHOMBNN-UHFFFAOYSA-N 0 1 385.423 2.076 50 5 GEBAMN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2NS(C)(=O)=O)c1C ZINC000036833151 205021652 /nfs/dbraw/zinc/02/16/52/205021652.db2.gz PKNMKVDMBRJYJZ-UHFFFAOYSA-N 0 1 399.450 2.384 50 5 GEBAMN Cc1ccc([C@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)N2CCOCC2)o1 ZINC000045297415 205094429 /nfs/dbraw/zinc/09/44/29/205094429.db2.gz WXWVXOFNKJRORY-INIZCTEOSA-N 0 1 399.407 2.176 50 5 GEBAMN COc1cc2c(c(CN[C@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)c1)O[C@H](C)C2 ZINC000106924102 570968502 /nfs/dbraw/zinc/96/85/02/570968502.db2.gz SDCOPTUTJFXMHW-DPMMWBKBSA-N 0 1 388.420 2.111 50 5 GEBAMN CCN(CC)c1ccc2nc3c(=O)n(Cc4ccccc4)c(=O)nc-3[nH]c2c1 ZINC000009668617 204319835 /nfs/dbraw/zinc/31/98/35/204319835.db2.gz ZKFJHIBYPZSKLX-UHFFFAOYSA-N 0 1 375.432 2.479 50 5 GEBAMN O=c1c2cc3c(ccn(-c4cccc(Cl)c4)c3=O)nc2ccn1-c1nnc[nH]1 ZINC000039403988 205043313 /nfs/dbraw/zinc/04/33/13/205043313.db2.gz PUSIBMVPVKCEDY-UHFFFAOYSA-N 0 1 390.790 2.461 50 5 GEBAMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000023106670 205969847 /nfs/dbraw/zinc/96/98/47/205969847.db2.gz WWWQWQCZWLDKEV-CQSZACIVSA-N 0 1 376.438 2.322 50 5 GEBAMN CCCN1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 ZINC000007976278 534933130 /nfs/dbraw/zinc/93/31/30/534933130.db2.gz ZQFQLILLAKYHJT-UHFFFAOYSA-N 0 1 384.502 2.157 50 5 GEBAMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1cccs1)N(C)C ZINC000023106676 570905282 /nfs/dbraw/zinc/90/52/82/570905282.db2.gz OHKWVWYHCOUSOI-CQSZACIVSA-N 0 1 376.438 2.322 50 5 GEBAMN CCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)n1 ZINC000040399150 205063415 /nfs/dbraw/zinc/06/34/15/205063415.db2.gz XTPNFKALVWRKPH-UHFFFAOYSA-N 0 1 398.426 2.429 50 5 GEBAMN CCc1nc(-n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)n[nH]1 ZINC000040399150 205063419 /nfs/dbraw/zinc/06/34/19/205063419.db2.gz XTPNFKALVWRKPH-UHFFFAOYSA-N 0 1 398.426 2.429 50 5 GEBAMN CCn1cnnc1CNC(=O)N(C)Cc1nc(C)c(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000095455554 205459430 /nfs/dbraw/zinc/45/94/30/205459430.db2.gz KKSVATQGPKDCQP-UHFFFAOYSA-N 0 1 398.427 2.246 50 5 GEBAMN CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc([N+](=O)[O-])c1O ZINC000036230630 221848691 /nfs/dbraw/zinc/84/86/91/221848691.db2.gz AYZORGOQPFBWJA-OQLLNIDSSA-N 0 1 383.385 2.469 50 5 GEBAMN Cc1ccc([N+](=O)[O-])cc1N1C(=O)C2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000104078052 570894864 /nfs/dbraw/zinc/89/48/64/570894864.db2.gz JZHLYFJDIGARKY-GOEBONIOSA-N 0 1 396.315 2.104 50 5 GEBAMN CC(C)CN1CCO[C@@H](CNC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000105888996 570933655 /nfs/dbraw/zinc/93/36/55/570933655.db2.gz XNYRFGDCTPLLBA-APWZRJJASA-N 0 1 392.500 2.061 50 5 GEBAMN Cc1ccc([C@@H](CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)N2CCOCC2)o1 ZINC000045297414 205094438 /nfs/dbraw/zinc/09/44/38/205094438.db2.gz WXWVXOFNKJRORY-MRXNPFEDSA-N 0 1 399.407 2.176 50 5 GEBAMN Cc1nc([C@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)n[nH]1 ZINC000058370666 205172899 /nfs/dbraw/zinc/17/28/99/205172899.db2.gz KIDQAYYKDUUEJS-MRXNPFEDSA-N 0 1 387.421 2.398 50 5 GEBAMN COc1cc([C@@H]2C(C(=O)OC(C)C)C(C)=Nc3ncnn32)cc([N+](=O)[O-])c1O ZINC000033911475 206100844 /nfs/dbraw/zinc/10/08/44/206100844.db2.gz PQVYCYOLUNYRNV-CQSZACIVSA-N 0 1 389.368 2.141 50 5 GEBAMN COc1cc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc([N+](=O)[O-])c1O ZINC000033911475 206100849 /nfs/dbraw/zinc/10/08/49/206100849.db2.gz PQVYCYOLUNYRNV-CQSZACIVSA-N 0 1 389.368 2.141 50 5 GEBAMN Cc1ccc(S(=O)(=O)n2cc(C(=O)c3ccccc3O)cn2)cc1[N+](=O)[O-] ZINC000014169303 570294358 /nfs/dbraw/zinc/29/43/58/570294358.db2.gz JXVJMRAKDHBABI-UHFFFAOYSA-N 0 1 387.373 2.273 50 5 GEBAMN CC[C@H](C)OC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000035817450 570457030 /nfs/dbraw/zinc/45/70/30/570457030.db2.gz PQKSKKAGSZGNSW-RTHLEPHNSA-N 0 1 379.369 2.279 50 5 GEBAMN CCOC(=O)CN1C(=O)S/C(=C/c2cc(OCC)c(O)c([N+](=O)[O-])c2)C1=O ZINC000013546568 570654367 /nfs/dbraw/zinc/65/43/67/570654367.db2.gz JOWAMYZNAPXGHT-KPKJPENVSA-N 0 1 396.377 2.299 50 5 GEBAMN CN(C)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1[N+](=O)[O-] ZINC000012612966 570890601 /nfs/dbraw/zinc/89/06/01/570890601.db2.gz CGVSWVFNKCEODW-UHFFFAOYSA-N 0 1 384.440 2.060 50 5 GEBAMN Cc1n[nH]c(-n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)n1 ZINC000036365472 205015326 /nfs/dbraw/zinc/01/53/26/205015326.db2.gz QZWIPCOEOKDNTA-UHFFFAOYSA-N 0 1 398.426 2.370 50 5 GEBAMN COc1cc2c(c(CN[C@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)c1)O[C@@H](C)C2 ZINC000229404500 206104602 /nfs/dbraw/zinc/10/46/02/206104602.db2.gz SDCOPTUTJFXMHW-RQUSPXKASA-N 0 1 388.420 2.111 50 5 GEBAMN Cc1ccc(O)c(C(=O)c2cnn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)c1 ZINC000014190640 570295276 /nfs/dbraw/zinc/29/52/76/570295276.db2.gz GMYWRKALWTZENE-UHFFFAOYSA-N 0 1 387.373 2.273 50 5 GEBAMN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc([N+](=O)[O-])c1O ZINC000035608241 570401539 /nfs/dbraw/zinc/40/15/39/570401539.db2.gz RJDJOIIHJYOLGG-AWEZNQCLSA-N 0 1 379.369 2.136 50 5 GEBAMN CCOc1cc([N+](=O)[O-])cc(/C=c2/sc3nc4ccccc4n3c2=O)c1O ZINC000013546789 570654273 /nfs/dbraw/zinc/65/42/73/570654273.db2.gz OSKODLUCUAIYIU-OVCLIPMQSA-N 0 1 383.385 2.469 50 5 GEBAMN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1NS(C)(=O)=O ZINC000036833126 570818857 /nfs/dbraw/zinc/81/88/57/570818857.db2.gz GVCNKORRSBDBJE-UHFFFAOYSA-N 0 1 385.423 2.076 50 5 GEBAMN Cc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)n1 ZINC000036125560 205008084 /nfs/dbraw/zinc/00/80/84/205008084.db2.gz ACOOIJGQQBTNSQ-UHFFFAOYSA-N 0 1 384.399 2.175 50 5 GEBAMN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc([N+](=O)[O-])c1O ZINC000036180241 205008694 /nfs/dbraw/zinc/00/86/94/205008694.db2.gz NVAWARAAFFCIHB-OTIXFSKASA-N 0 1 396.377 2.297 50 5 GEBAMN COc1cccc(CN2CCC(Nc3ncc([N+](=O)[O-])cc3C(N)=O)CC2)c1 ZINC000048309810 205118948 /nfs/dbraw/zinc/11/89/48/205118948.db2.gz HQRZIWAASADVMO-UHFFFAOYSA-N 0 1 385.424 2.174 50 5 GEBAMN C[C@@H]1CN(C[C@H]2CCCN2C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000228021327 206102094 /nfs/dbraw/zinc/10/20/94/206102094.db2.gz CBWSLPITPVAURX-BRWVUGGUSA-N 0 1 390.484 2.497 50 5 GEBAMN CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)NCc3ccccc3)[C@@H]2C1 ZINC000035870232 570468481 /nfs/dbraw/zinc/46/84/81/570468481.db2.gz JJAMODQHMAFSTD-ICSRJNTNSA-N 0 1 380.448 2.204 50 5 GEBAMN CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(O)c([N+](=O)[O-])c1 ZINC000034718121 570787592 /nfs/dbraw/zinc/78/75/92/570787592.db2.gz SCZUUIVQFWJNRP-CQSZACIVSA-N 0 1 379.369 2.280 50 5 GEBAMN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCc2n[nH]c(C(=O)N3CCCCC3)c2C1 ZINC000034809873 570801406 /nfs/dbraw/zinc/80/14/06/570801406.db2.gz QUQDNWKTFBRSJK-UHFFFAOYSA-N 0 1 397.435 2.071 50 5 GEBAMN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc([N+](=O)[O-])c1O ZINC000035812705 570457191 /nfs/dbraw/zinc/45/71/91/570457191.db2.gz IPUHVMKVNHLPHM-AWEZNQCLSA-N 0 1 379.369 2.279 50 5 GEBAMN O=c1[nH]c([O-])c(C2=NN[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)n1C1CCCCC1 ZINC000101762226 570832671 /nfs/dbraw/zinc/83/26/71/570832671.db2.gz HGWMLXWRSWUHOC-CQSZACIVSA-N 0 1 399.407 2.094 50 5 GEBAMN O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCCC1)n1cc(Cl)ccc1=O ZINC000000819378 206323789 /nfs/dbraw/zinc/32/37/89/206323789.db2.gz NCYUSKIMODGCQC-INIZCTEOSA-N 0 1 389.795 2.456 50 5 GEBAMN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1NC(C)=O ZINC000009509286 206330088 /nfs/dbraw/zinc/33/00/88/206330088.db2.gz IGHNGLUEBYMDAI-UHFFFAOYSA-N 0 1 381.366 2.068 50 5 GEBAMN C[C@H]1CN(CCCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000023509152 207278363 /nfs/dbraw/zinc/27/83/63/207278363.db2.gz CEMMNFRSGYCDOH-KBPBESRZSA-N 0 1 376.457 2.398 50 5 GEBAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccccc1[N+](=O)[O-] ZINC000031815562 207386056 /nfs/dbraw/zinc/38/60/56/207386056.db2.gz RXSFTCWNEBXNBB-CQSZACIVSA-N 0 1 378.348 2.375 50 5 GEBAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1ccccc1[N+](=O)[O-] ZINC000031815567 207387007 /nfs/dbraw/zinc/38/70/07/207387007.db2.gz RXSFTCWNEBXNBB-AWEZNQCLSA-N 0 1 378.348 2.375 50 5 GEBAMN CC(C)(C)C1=CCN(CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000253423794 209040581 /nfs/dbraw/zinc/04/05/81/209040581.db2.gz DFNGVPNJBDMQSS-UHFFFAOYSA-N 0 1 382.486 2.332 50 5 GEBAMN CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O ZINC000035340460 570342955 /nfs/dbraw/zinc/34/29/55/570342955.db2.gz OOAQYTXVEPRGTN-VQLBTBKJSA-N 0 1 396.377 2.297 50 5 GEBAMN CN1CCN([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(F)cc2)CC1 ZINC000012342583 570351357 /nfs/dbraw/zinc/35/13/57/570351357.db2.gz SNWJQIGICNJMPY-IBGZPJMESA-N 0 1 386.427 2.452 50 5 GEBAMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000004757980 536424401 /nfs/dbraw/zinc/42/44/01/536424401.db2.gz GQIXLUDEZLXZOS-UHFFFAOYSA-N 0 1 399.476 2.473 50 5 GEBAMN CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)n2cnc(C(N)=O)c2N1 ZINC000000726125 570303950 /nfs/dbraw/zinc/30/39/50/570303950.db2.gz UAPVEBFWUNBVBV-HNNXBMFYSA-N 0 1 385.380 2.131 50 5 GEBAMN CC[C@@H](C)OC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000035817440 570457268 /nfs/dbraw/zinc/45/72/68/570457268.db2.gz PQKSKKAGSZGNSW-XLKFXECMSA-N 0 1 379.369 2.279 50 5 GEBAMN COc1cc2c(c(CN[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)c1)O[C@@H](C)C2 ZINC000072312321 570648558 /nfs/dbraw/zinc/64/85/58/570648558.db2.gz SDCOPTUTJFXMHW-GESALYCCSA-N 0 1 388.420 2.111 50 5 GEBAMN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000003338239 642322374 /nfs/dbraw/zinc/32/23/74/642322374.db2.gz BWCPLJOJGHZHNA-UHFFFAOYSA-N 0 1 392.361 2.392 50 5 GEBAMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccc(F)cc1)N(C)C ZINC000010332792 206384594 /nfs/dbraw/zinc/38/45/94/206384594.db2.gz OLKPMPZUJBHHEU-QGZVFWFLSA-N 0 1 388.399 2.400 50 5 GEBAMN Cc1sc(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC000048364140 570245202 /nfs/dbraw/zinc/24/52/02/570245202.db2.gz MWHJWIWQPCMXRL-UHFFFAOYSA-N 0 1 375.454 2.042 50 5 GEBAMN COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc([N+](=O)[O-])c1O ZINC000035608231 570401516 /nfs/dbraw/zinc/40/15/16/570401516.db2.gz QOMAINVCEJVRIL-OAHLLOKOSA-N 0 1 391.380 2.423 50 5 GEBAMN CC[C@H](O)CN1CCN(c2nc(C)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000036340238 570625291 /nfs/dbraw/zinc/62/52/91/570625291.db2.gz SJVCYXLACNCENI-IBGZPJMESA-N 0 1 399.495 2.485 50 5 GEBAMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C ZINC000010332787 206384911 /nfs/dbraw/zinc/38/49/11/206384911.db2.gz OLKPMPZUJBHHEU-KRWDZBQOSA-N 0 1 388.399 2.400 50 5 GEBAMN CN1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1 ZINC000009740407 206369139 /nfs/dbraw/zinc/36/91/39/206369139.db2.gz YYAPKKQFOVCQAA-LJQANCHMSA-N 0 1 386.427 2.452 50 5 GEBAMN O=C(CC1C(=O)Nc2nc(-c3ccccc3)nn21)Nc1cccc([N+](=O)[O-])c1 ZINC000020726107 207211624 /nfs/dbraw/zinc/21/16/24/207211624.db2.gz XNRIRCLVODWMQI-CQSZACIVSA-N 0 1 378.348 2.375 50 5 GEBAMN CN1CCN(c2cc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccn2)CC1 ZINC000047398257 570955169 /nfs/dbraw/zinc/95/51/69/570955169.db2.gz HXCPFRBQKLXUQD-UHFFFAOYSA-N 0 1 389.843 2.325 50 5 GEBAMN CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(O)c(OCC)c1[N+](=O)[O-] ZINC000004919560 570363289 /nfs/dbraw/zinc/36/32/89/570363289.db2.gz YUWMPIYHHIXQCI-LBPRGKRZSA-N 0 1 381.410 2.055 50 5 GEBAMN CN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)NCc3ccccc3)[C@@H]2C1 ZINC000104916098 570907964 /nfs/dbraw/zinc/90/79/64/570907964.db2.gz JJAMODQHMAFSTD-QUCCMNQESA-N 0 1 380.448 2.204 50 5 GEBAMN COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCN(C)CC2)cc1 ZINC000012342566 570351011 /nfs/dbraw/zinc/35/10/11/570351011.db2.gz UFMWBQUSKINMDG-HXUWFJFHSA-N 0 1 398.463 2.322 50 5 GEBAMN COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCC2)cc([N+](=O)[O-])c1O ZINC000035608229 570401460 /nfs/dbraw/zinc/40/14/60/570401460.db2.gz QOMAINVCEJVRIL-HNNXBMFYSA-N 0 1 391.380 2.423 50 5 GEBAMN Cc1cc([N+](=O)[O-])ccc1N1C(=O)C2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O ZINC000103559104 570886796 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388.387 2.022 50 5 GEBAMN CCc1nc(-n2ccc3nc4ccn(Cc5ccco5)c(=O)c4cc3c2=O)n[nH]1 ZINC000040399158 570603042 /nfs/dbraw/zinc/60/30/42/570603042.db2.gz HPFFANVCRBWWSD-UHFFFAOYSA-N 0 1 388.387 2.022 50 5 GEBAMN CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000012544881 570846367 /nfs/dbraw/zinc/84/63/67/570846367.db2.gz OCMUYAVHPDTNPT-UHFFFAOYSA-N 0 1 399.450 2.002 50 5 GEBAMN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCCN1CCCCC1 ZINC000008188435 221030328 /nfs/dbraw/zinc/03/03/28/221030328.db2.gz YTRNVOXLPHJRDL-UHFFFAOYSA-N 0 1 383.470 2.244 50 5 GEBAMN CCCNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O ZINC000009553844 221084997 /nfs/dbraw/zinc/08/49/97/221084997.db2.gz UTQQMWPYCCMGBY-HNNXBMFYSA-N 0 1 377.784 2.360 50 5 GEBAMN CC(C)CN1CCO[C@H](CNC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000016695714 221369822 /nfs/dbraw/zinc/36/98/22/221369822.db2.gz XNYRFGDCTPLLBA-QFBILLFUSA-N 0 1 392.500 2.061 50 5 GEBAMN CC(C)[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000071766817 222195744 /nfs/dbraw/zinc/19/57/44/222195744.db2.gz MFFZQZIWTDHXEY-MSOLQXFVSA-N 0 1 384.436 2.244 50 5 GEBAMN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O ZINC000035340454 570342738 /nfs/dbraw/zinc/34/27/38/570342738.db2.gz OOAQYTXVEPRGTN-LQGZHCLWSA-N 0 1 396.377 2.297 50 5 GEBAMN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000026832973 570439090 /nfs/dbraw/zinc/43/90/90/570439090.db2.gz RNZOJIBMGANJBX-UHFFFAOYSA-N 0 1 375.450 2.322 50 5 GEBAMN CC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1 ZINC000023144650 570916530 /nfs/dbraw/zinc/91/65/30/570916530.db2.gz GQEALLXWQCKDNX-UHFFFAOYSA-N 0 1 379.394 2.002 50 5 GEBAMN CN1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(F)cc2)CC1 ZINC000009740401 212231378 /nfs/dbraw/zinc/23/13/78/212231378.db2.gz YYAPKKQFOVCQAA-IBGZPJMESA-N 0 1 386.427 2.452 50 5 GEBAMN CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc([N+](=O)[O-])c1O 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