smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)C(=Cc2cc(Br)c(N3CCOCC3)o2)C(=O)N(C)C1=O ZINC000001169957 530531443 /nfs/dbraw/zinc/53/14/43/530531443.db2.gz GHGVPFDHGINKPT-UHFFFAOYSA-N 0 0 398.213 1.313 50 10 GDCARN COc1cc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1O ZINC000002283678 530531835 /nfs/dbraw/zinc/53/18/35/530531835.db2.gz DDABDJGDRFAOSE-JLATVTFTSA-N 0 0 385.488 1.789 50 10 GDCARN CC(=O)NCCc1c(C=C2C(=O)NC(=S)N(C3CC3)C2=O)[nH]c2ccccc21 ZINC000005217045 204120255 /nfs/dbraw/zinc/12/02/55/204120255.db2.gz XZUKRLKANRJPJW-GDNBJRDFSA-N 0 0 396.472 1.636 50 10 GDCARN CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O ZINC000005878638 204156003 /nfs/dbraw/zinc/15/60/03/204156003.db2.gz UDUPOVXDKJHSJB-UHFFFAOYSA-N 0 0 397.387 1.816 50 10 GDCARN CCN1C(=O)C(=CNc2sc3c(c2C(=O)OC)CCCC3)C(=O)NC1=S ZINC000005576594 204142108 /nfs/dbraw/zinc/14/21/08/204142108.db2.gz BIPBWVXWQUHBLK-CSKARUKUSA-N 0 0 393.490 1.973 50 10 GDCARN CC[C@H](C)N1C(=O)C(=CNCc2cc(OC)cc(OC)c2)C(=O)NC1=S ZINC000005625492 204142999 /nfs/dbraw/zinc/14/29/99/204142999.db2.gz NCZQRQUFRBPEDM-KBVGCWLLSA-N 0 0 377.466 1.719 50 10 GDCARN COC(=O)C1CCN(C(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)CC1 ZINC000008764674 204289210 /nfs/dbraw/zinc/28/92/10/204289210.db2.gz XHBYVDBBIGEMMR-UHFFFAOYSA-N 0 0 375.377 1.467 50 10 biogenic GDCARN CCN1C(=O)C(=CNCCn2c(C)nc3ccccc32)C(=O)N(CC)C1=S ZINC000025561765 204835126 /nfs/dbraw/zinc/83/51/26/204835126.db2.gz QGLZALSARSLTDD-UHFFFAOYSA-N 0 0 385.493 1.814 50 10 GDCARN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000054401471 205139657 /nfs/dbraw/zinc/13/96/57/205139657.db2.gz PLWMFAAWZSNZDE-ZDUSSCGKSA-N 0 0 376.482 1.960 50 10 GDCARN CCS(=O)(=O)N1CCN(C2=NC(=O)/C(=C/c3ccc(F)cc3)S2)CC1 ZINC000071784882 205296375 /nfs/dbraw/zinc/29/63/75/205296375.db2.gz WUJNPJBEIATMPE-KAMYIIQDSA-N 0 0 383.470 1.763 50 10 GDCARN COC(=O)c1c2c(sc1NC(=O)Cc1sc(N)nc1O)C[C@@H](C)CC2 ZINC000011859419 205919814 /nfs/dbraw/zinc/91/98/14/205919814.db2.gz AMTJCNRDHQNAFD-XVKPBYJWSA-N 0 0 381.479 1.945 50 10 GDCARN O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)N[C@H]1C=CS(=O)(=O)C1 ZINC000033585801 206098407 /nfs/dbraw/zinc/09/84/07/206098407.db2.gz WZXLIXLMWDXTNX-MJWAUXSNSA-N 0 0 398.487 1.298 50 10 GDCARN COc1ccc(N(CCC(N)=O)CC(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000008726001 136195523 /nfs/dbraw/zinc/19/55/23/136195523.db2.gz IJLMQYFGABAAFM-UHFFFAOYSA-N 0 0 396.491 1.726 50 10 GDCARN COc1ccc(N2CCN(C(=O)c3nc4ccccc4n(C)c3=O)CC2)cc1 ZINC000033269507 524421896 /nfs/dbraw/zinc/42/18/96/524421896.db2.gz ZUPWZABMFOUUTL-UHFFFAOYSA-N 0 0 378.432 1.905 50 10 GDCARN COc1ccc(OC)c(NC=C2C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)c1 ZINC000013551174 570851594 /nfs/dbraw/zinc/85/15/94/570851594.db2.gz UWUQHCMERKQKJX-CJAAZZPWSA-N 0 0 379.438 1.405 50 10 GDCARN O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1[C@@H]1CCS(=O)(=O)C1 ZINC000001816444 644196370 /nfs/dbraw/zinc/19/63/70/644196370.db2.gz JYSDCOSCRGIDEC-CEXMDJMXSA-N 0 0 384.460 1.983 50 10 GDCARN CCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2NCCO)SC1=S ZINC000005857814 204154291 /nfs/dbraw/zinc/15/42/91/204154291.db2.gz QQASPGHINZISBD-PKNBQFBNSA-N 0 0 376.463 1.320 50 10 GDCARN COc1ccc(N2CCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 ZINC000008741367 204287712 /nfs/dbraw/zinc/28/77/12/204287712.db2.gz XHUPCTFXPMLJRA-UHFFFAOYSA-N 0 0 394.431 1.047 50 10 GDCARN CCOC(=O)c1ccc(NC=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)cc1 ZINC000009422789 204311170 /nfs/dbraw/zinc/31/11/70/204311170.db2.gz SUZQTBDLRBPPJR-VGVSSDJJSA-N 0 0 391.449 1.564 50 10 GDCARN CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000010302548 204332798 /nfs/dbraw/zinc/33/27/98/204332798.db2.gz ATQXAALFOBXSHY-MRXNPFEDSA-N 0 0 395.525 1.406 50 10 GDCARN COCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N(C)C)SC1=S ZINC000016734061 204599523 /nfs/dbraw/zinc/59/95/23/204599523.db2.gz LPBJXSFHDSZCLR-BENRWUELSA-N 0 0 390.490 1.608 50 10 GDCARN Cc1cc(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)n1-c1ccccn1 ZINC000022924651 204793447 /nfs/dbraw/zinc/79/34/47/204793447.db2.gz KIRDCUITTPZQGG-UHFFFAOYSA-N 0 0 395.507 1.568 50 10 GDCARN CCOC(=O)c1c(C)n(CC(=O)OC)c2ccc(O)c(CN3CCOCC3)c21 ZINC000019932478 570231261 /nfs/dbraw/zinc/23/12/61/570231261.db2.gz RAMMDANPHPEVEZ-UHFFFAOYSA-N 0 0 390.436 1.837 50 10 GDCARN COc1ccc(N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)[N-]C2=S)cc1 ZINC000019996333 570234443 /nfs/dbraw/zinc/23/44/43/570234443.db2.gz ZFTJDAPUFQKLIO-DTQAZKPQSA-N 0 0 388.493 1.402 50 10 GDCARN COc1cccc(-n2c(C)cc(C(=O)N3CCC4(CC3)NC(=O)NC4=O)c2C)c1 ZINC000024464834 570384130 /nfs/dbraw/zinc/38/41/30/570384130.db2.gz IPFAYNYUIWHXAP-UHFFFAOYSA-N 0 0 396.447 1.917 50 10 GDCARN COc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)ccc1O ZINC000096935893 644594267 /nfs/dbraw/zinc/59/42/67/644594267.db2.gz HGLGGYIIKDULCD-RVDMUPIBSA-N 0 0 380.491 1.934 50 10 GDCARN COc1ccc(-n2nnnc2CNC(=O)c2ccc(Br)o2)cc1 ZINC000016955113 530565574 /nfs/dbraw/zinc/56/55/74/530565574.db2.gz YAZHSVUPPLJLSI-UHFFFAOYSA-N 0 0 378.186 1.956 50 10 GDCARN CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000022412526 530572815 /nfs/dbraw/zinc/57/28/15/530572815.db2.gz JGVRZMIAKWAJPS-UHFFFAOYSA-N 0 0 383.495 1.221 50 10 GDCARN CCOC(=O)COc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OCC ZINC000001184085 203894661 /nfs/dbraw/zinc/89/46/61/203894661.db2.gz CDDQEBIMRKJCRX-UHFFFAOYSA-N 0 0 390.392 1.461 50 10 GDCARN COc1ccc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1 ZINC000002204807 203929747 /nfs/dbraw/zinc/92/97/47/203929747.db2.gz NLOMYWLSJLQZBC-UHFFFAOYSA-N 0 0 389.433 1.641 50 10 biogenic GDCARN COc1ccc(N2CCN(C(=O)CN3C(=O)N[C@@H](CC(C)C)C3=O)CC2)cc1 ZINC000003555688 204013313 /nfs/dbraw/zinc/01/33/13/204013313.db2.gz FVRCLTLUVYNBGC-KRWDZBQOSA-N 0 0 388.468 1.310 50 10 GDCARN CN(CCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1)c1cnccn1 ZINC000004108320 204027874 /nfs/dbraw/zinc/02/78/74/204027874.db2.gz SOQJVVGVOQZFKZ-UHFFFAOYSA-N 0 0 395.419 1.426 50 10 GDCARN CCc1ccc(N2NC(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)C2=O)cc1 ZINC000004498078 204048279 /nfs/dbraw/zinc/04/82/79/204048279.db2.gz GPFOIEMXLJPREM-WJDWOHSUSA-N 0 0 376.416 1.901 50 10 GDCARN Cc1ccc2nc(N3CCOCC3)c(/C=C3\SC(=S)NC3=O)c(=O)n2c1 ZINC000005042492 204106151 /nfs/dbraw/zinc/10/61/51/204106151.db2.gz GFPXWERKRBKJSK-WQLSENKSSA-N 0 0 388.474 1.328 50 10 GDCARN CN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCOCC2)SC1=S ZINC000006001654 204161930 /nfs/dbraw/zinc/16/19/30/204161930.db2.gz CNWNFAMMBMPQNW-ZRDIBKRKSA-N 0 0 388.474 1.362 50 10 GDCARN COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)NC(C)(C)C)CC2)cc1 ZINC000036709082 204326003 /nfs/dbraw/zinc/32/60/03/204326003.db2.gz QGJYEQSLHQDNHT-UHFFFAOYSA-N 0 0 398.529 1.245 50 10 GDCARN COC(=O)CN(Cc1c(O)ccc2ccc(OC)cc21)[C@@H]1CCS(=O)(=O)C1 ZINC000040155510 205059233 /nfs/dbraw/zinc/05/92/33/205059233.db2.gz PXWWSBYRGSJPCD-CQSZACIVSA-N 0 0 393.461 1.716 50 10 GDCARN CCOC(=O)c1c2c(sc1NC(=O)C[C@H]([NH2+]CCCO)C(=O)[O-])CCCC2 ZINC000005258930 205764692 /nfs/dbraw/zinc/76/46/92/205764692.db2.gz HHIIDNLWAXEGOV-LBPRGKRZSA-N 0 0 398.481 1.557 50 10 GDCARN COc1ccc(N2CCN(Cc3nc4nc(C)cc(N(C)C)n4n3)CC2)cc1 ZINC000065311687 136163089 /nfs/dbraw/zinc/16/30/89/136163089.db2.gz PDEBGCNZXMUVLS-UHFFFAOYSA-N 0 0 381.484 1.830 50 10 GDCARN O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNCCC[NH+]1CCOCC1 ZINC000101048249 136196093 /nfs/dbraw/zinc/19/60/93/136196093.db2.gz FNGVUKOZBFMCBY-SEYXRHQNSA-N 0 0 392.843 1.119 50 10 GDCARN COc1ccc(N2CCN(C(=O)Cn3nc(C)c4c(C)onc4c3=O)CC2)cc1 ZINC000064842232 536684200 /nfs/dbraw/zinc/68/42/00/536684200.db2.gz IYTQKBBRBAJDDF-UHFFFAOYSA-N 0 0 397.435 1.359 50 10 GDCARN COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CNCCCn3ccnc3)C2=O)c1 ZINC000019994490 570233975 /nfs/dbraw/zinc/23/39/75/570233975.db2.gz HIBJVKXRHMUSLA-SDNWHVSQSA-N 0 0 399.407 1.047 50 10 GDCARN CC[NH+](CC)CCNNC=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O ZINC000020393205 570254049 /nfs/dbraw/zinc/25/40/49/570254049.db2.gz RWKFCBWZKZCMIP-SDNWHVSQSA-N 0 0 379.461 1.734 50 10 GDCARN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000023436264 570362430 /nfs/dbraw/zinc/36/24/30/570362430.db2.gz XHUDOOCUIJSXIZ-UHFFFAOYSA-N 0 0 397.522 1.611 50 10 GDCARN COc1ccc(N2CCN(CN3C(=O)N[C@@H](Cc4ccccc4)C3=O)CC2)cc1 ZINC000016695046 570931330 /nfs/dbraw/zinc/93/13/30/570931330.db2.gz LCDAAZGGWJLDQZ-FQEVSTJZSA-N 0 0 394.475 1.938 50 10 GDCARN COc1cc(Br)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC ZINC000003211809 530533614 /nfs/dbraw/zinc/53/36/14/530533614.db2.gz BQXJFTCCRXTNDU-UHFFFAOYSA-N 0 0 383.198 1.900 50 10 GDCARN O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)N[C@@H]1CSC[C@@H]1O ZINC000012406531 530555803 /nfs/dbraw/zinc/55/58/03/530555803.db2.gz GGHUQXUPSZNOTA-XNAKUGGASA-N 0 0 398.531 1.854 50 10 GDCARN COc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)ccc1O ZINC000020207609 530568937 /nfs/dbraw/zinc/56/89/37/530568937.db2.gz KYHNKZJZUZYRQL-WDDQBVTESA-N 0 0 380.407 1.022 50 10 GDCARN CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(O)c(O)c3)C(=N)N21 ZINC000020206758 530569374 /nfs/dbraw/zinc/56/93/74/530569374.db2.gz RGONDABISLVORL-MBCYWTQPSA-N 0 0 380.407 1.109 50 10 GDCARN O=C(COC(=O)[C@@H]1CCC(=O)N1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000005415907 204131097 /nfs/dbraw/zinc/13/10/97/204131097.db2.gz CRHJFLISBFMAQG-HNNXBMFYSA-N 0 0 392.367 1.222 50 10 GDCARN COc1ccc(N(CCC(N)=O)CC(=O)NC(=O)NC2CCCCC2)cc1 ZINC000008719439 204285575 /nfs/dbraw/zinc/28/55/75/204285575.db2.gz HHJHASXLWOJRQX-UHFFFAOYSA-N 0 0 376.457 1.536 50 10 GDCARN Nc1nccnc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000054017822 132441383 /nfs/dbraw/zinc/44/13/83/132441383.db2.gz NRXLRGMAGUTMOT-UHFFFAOYSA-N 0 0 381.358 1.844 50 10 GDCARN COc1ccc(N2CCN(C(=O)c3noc(-c4ccc[nH]c4=O)n3)CC2)cc1 ZINC000096125501 536691677 /nfs/dbraw/zinc/69/16/77/536691677.db2.gz UXOOOYDXAOLRMQ-UHFFFAOYSA-N 0 0 381.392 1.396 50 10 GDCARN O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCC[NH+]1CCCCC1 ZINC000020024301 570235628 /nfs/dbraw/zinc/23/56/28/570235628.db2.gz JWBMMCZGTSWQDI-NTCAYCPXSA-N 0 0 376.844 1.882 50 10 GDCARN CN(C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000010113646 570566045 /nfs/dbraw/zinc/56/60/45/570566045.db2.gz MNJJLVQADIJBFZ-UHFFFAOYSA-N 0 0 394.541 1.421 50 10 GDCARN COc1ccc(NC=C2C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)c(OC)c1 ZINC000013654939 570665590 /nfs/dbraw/zinc/66/55/90/570665590.db2.gz AZSVRNUILZNWSV-CJAAZZPWSA-N 0 0 379.438 1.405 50 10 GDCARN CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2NCCO)SC1=S ZINC000001786389 530531752 /nfs/dbraw/zinc/53/17/52/530531752.db2.gz QQASPGHINZISBD-LUAWRHEFSA-N 0 0 376.463 1.320 50 10 GDCARN CCOC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)NC(=O)N(C)[C@]1(O)C(F)(F)F ZINC000001016343 203873126 /nfs/dbraw/zinc/87/31/26/203873126.db2.gz PJERPWVXISOKSO-WOSRLPQWSA-N 0 0 389.374 1.879 50 10 GDCARN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)cc1 ZINC000004748633 204073662 /nfs/dbraw/zinc/07/36/62/204073662.db2.gz NOYFZZWOBMYMPA-OAHLLOKOSA-N 0 0 381.498 1.015 50 10 GDCARN CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000013426596 204489424 /nfs/dbraw/zinc/48/94/24/204489424.db2.gz GPGGCEPDWIVOKL-NVNXTCNLSA-N 0 0 385.401 1.869 50 10 GDCARN COC(=O)CN(Cc1c(O)ccc2ccc(OC)cc21)[C@H]1CCS(=O)(=O)C1 ZINC000040155511 205059611 /nfs/dbraw/zinc/05/96/11/205059611.db2.gz PXWWSBYRGSJPCD-AWEZNQCLSA-N 0 0 393.461 1.716 50 10 GDCARN Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCc2ccc3c(c2)CCN3C)o1 ZINC000055089419 205142312 /nfs/dbraw/zinc/14/23/12/205142312.db2.gz RASYVXUMSGSTIY-HXUWFJFHSA-N 0 0 396.491 1.587 50 10 GDCARN CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000072305137 136168057 /nfs/dbraw/zinc/16/80/57/136168057.db2.gz QLQZUNRCYNFLMF-UHFFFAOYSA-N 0 0 398.375 1.994 50 10 GDCARN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1c(O)ccc2nc3n(c(=O)c21)CCC3 ZINC000008765309 570682008 /nfs/dbraw/zinc/68/20/08/570682008.db2.gz JKZZURNHMKBUEG-INIZCTEOSA-N 0 0 379.416 1.834 50 10 biogenic GDCARN O=C(NCc1ccc(N2CCNC(=O)C2)c(F)c1)C1=NO[C@@H](c2ccccc2)C1 ZINC000170626348 570883404 /nfs/dbraw/zinc/88/34/04/570883404.db2.gz QBZYEEOBMZYHCZ-LJQANCHMSA-N 0 0 396.422 1.896 50 10 GDCARN COc1ccc(-n2nnnc2CN2CCN(C(=O)Cc3cccs3)CC2)cc1 ZINC000023134895 570915651 /nfs/dbraw/zinc/91/56/51/570915651.db2.gz HQYQEENGOMYTAM-UHFFFAOYSA-N 0 0 398.492 1.619 50 10 GDCARN Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C)C3=O)c(NCCO)nc12 ZINC000013427242 530558693 /nfs/dbraw/zinc/55/86/93/530558693.db2.gz GMTNVTQYPYMAFG-FLIBITNWSA-N 0 0 376.463 1.238 50 10 GDCARN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCN(CC(F)F)CC2)c1 ZINC000095452862 530817506 /nfs/dbraw/zinc/81/75/06/530817506.db2.gz RSBRUACCPZYBJA-UHFFFAOYSA-N 0 0 377.413 1.177 50 10 GDCARN COC(=O)C=C1NN(c2ccc(F)cc2)C([O-])=C1C(C)=[NH+]CCc1c[nH]cn1 ZINC000004736905 204070874 /nfs/dbraw/zinc/07/08/74/204070874.db2.gz VYQDBPQMRYSYSV-PDGQHHTCSA-N 0 0 385.399 1.921 50 10 GDCARN COc1ccc(N2CN=c3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3C2)cc1 ZINC000004508412 204048473 /nfs/dbraw/zinc/04/84/73/204048473.db2.gz YTTXYGZTTNTBQI-LICLKQGHSA-N 0 0 396.428 1.710 50 10 GDCARN CN1CCN(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)CC1 ZINC000005175304 204116633 /nfs/dbraw/zinc/11/66/33/204116633.db2.gz FJHJPTMXNXMNAG-FYWRMAATSA-N 0 0 390.534 1.557 50 10 GDCARN CCCCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000009570044 221085403 /nfs/dbraw/zinc/08/54/03/221085403.db2.gz GBJZXJWROIPJMF-UHFFFAOYSA-N 0 0 383.514 1.453 50 10 GDCARN COc1ccc(N2CCN(C(=O)Cn3nc4c(cc3=O)CCCC4)CC2)cc1 ZINC000061720578 536683890 /nfs/dbraw/zinc/68/38/90/536683890.db2.gz IMARHXHCOWORIC-UHFFFAOYSA-N 0 0 382.464 1.480 50 10 GDCARN CN1CCN(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 ZINC000001203253 570257728 /nfs/dbraw/zinc/25/77/28/570257728.db2.gz FJHJPTMXNXMNAG-SQFISAMPSA-N 0 0 390.534 1.557 50 10 GDCARN O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@@H](O)CN1CCOCC1 ZINC000604418587 570362420 /nfs/dbraw/zinc/36/24/20/570362420.db2.gz AYEZRCCGERWBGO-HNNXBMFYSA-N 0 0 390.439 1.906 50 10 GDCARN COc1ccc(N2CCN(CC(=O)Nc3ncc4c(n3)CCCC4=O)CC2)cc1 ZINC000035771238 570557602 /nfs/dbraw/zinc/55/76/02/570557602.db2.gz JJTBHAHHAIIYLI-UHFFFAOYSA-N 0 0 395.463 1.765 50 10 GDCARN 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CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)NCc1ccccc1 ZINC000027156087 207322415 /nfs/dbraw/zinc/32/24/15/207322415.db2.gz TUROUUTWGCYMIM-UHFFFAOYSA-N 0 0 396.491 1.981 50 10 GDCARN CCN1C(=O)[C@@H]2[C@H](c3ccccc3O)[NH2+][C@@](CCSC)(C(=O)[O-])[C@H]2C1=O ZINC000102993014 208712103 /nfs/dbraw/zinc/71/21/03/208712103.db2.gz GPLDLWKDASQXAC-MOROJQBDSA-N 0 0 378.450 1.234 50 10 GDCARN CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013550284 208785289 /nfs/dbraw/zinc/78/52/89/208785289.db2.gz KPZSZYKMDZOCRT-ZWIPKHHJSA-N 0 0 398.828 1.949 50 10 GDCARN C[C@@H]1CN(c2ccc(CNC(=O)C3=NN(C)C(=O)CC3)cc2F)C[C@@H](C)O1 ZINC000055530707 132446132 /nfs/dbraw/zinc/44/61/32/132446132.db2.gz BIYDNTQMZNIYPV-CHWSQXEVSA-N 0 0 376.432 1.664 50 10 GDCARN CCOC(=O)c1cnn2c1[nH]c(CN1CCN(c3ccccc3)CC1)cc2=O ZINC000103246337 136191024 /nfs/dbraw/zinc/19/10/24/136191024.db2.gz CWOWINZJAFQQJB-UHFFFAOYSA-N 0 0 381.436 1.934 50 10 GDCARN COc1ccc(N2CCN([C@@H](CNS(C)(=O)=O)c3ccco3)CC2)cc1 ZINC000004273098 136193887 /nfs/dbraw/zinc/19/38/87/136193887.db2.gz JKPNHUXYPIPABO-KRWDZBQOSA-N 0 0 379.482 1.701 50 10 GDCARN COc1ccc(N2CCN(C(=O)CCSc3ccc4nncn4n3)CC2)cc1 ZINC000072402310 536678735 /nfs/dbraw/zinc/67/87/35/536678735.db2.gz FSSVWCILDJARQB-UHFFFAOYSA-N 0 0 398.492 1.964 50 10 GDCARN CCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2NCCCO)SC1=S ZINC000006076120 570235061 /nfs/dbraw/zinc/23/50/61/570235061.db2.gz JWXBXNRLFJXDPJ-ZRDIBKRKSA-N 0 0 390.490 1.710 50 10 GDCARN CN1CCN(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 ZINC000005376086 570569129 /nfs/dbraw/zinc/56/91/29/570569129.db2.gz QCQRTXROCAGNAA-WYMLVPIESA-N 0 0 394.522 1.540 50 10 GDCARN O=C(COC(=O)[C@H]1CCC(=O)N1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000005415910 570588602 /nfs/dbraw/zinc/58/86/02/570588602.db2.gz CRHJFLISBFMAQG-OAHLLOKOSA-N 0 0 392.367 1.222 50 10 GDCARN CC[C@@H](C)N1C(=O)C(=CNCc2cc(OC)cc(OC)c2)C(=O)NC1=S ZINC000005625472 570674352 /nfs/dbraw/zinc/67/43/52/570674352.db2.gz NCZQRQUFRBPEDM-HGLKBHAMSA-N 0 0 377.466 1.719 50 10 GDCARN 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/nfs/dbraw/zinc/32/97/06/206329706.db2.gz LTDPFFVXCQDGPH-UHFFFAOYSA-N 0 0 382.397 1.829 50 10 GDCARN COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)oc1C ZINC000001026112 206341988 /nfs/dbraw/zinc/34/19/88/206341988.db2.gz FTEPIESIAHVUGB-UHFFFAOYSA-N 0 0 394.449 1.894 50 10 GDCARN COc1ccc(N2CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000010327746 206382696 /nfs/dbraw/zinc/38/26/96/206382696.db2.gz XDKMDNSVRICWQK-UHFFFAOYSA-N 0 0 384.392 1.891 50 10 GDCARN CCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2NCCO)SC1=S ZINC000001774185 206391365 /nfs/dbraw/zinc/39/13/65/206391365.db2.gz GVKCGJWHAHEHAY-BENRWUELSA-N 0 0 390.490 1.710 50 10 GDCARN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NCCc2ccc(O)c(O)c2)C1=O ZINC000006543356 206654426 /nfs/dbraw/zinc/65/44/26/206654426.db2.gz QATVEZRQKJUECX-FQEVSTJZSA-N 0 0 383.404 1.224 50 10 GDCARN COc1ccc(N2CCN(C(=O)CN3c4cc(C)nn4CCC3=O)CC2)cc1 ZINC000015728803 207056769 /nfs/dbraw/zinc/05/67/69/207056769.db2.gz UMKFUARAMMPIBK-UHFFFAOYSA-N 0 0 383.452 1.286 50 10 GDCARN C[NH+]1CCN(NC=C2C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)CC1 ZINC000020357499 207189781 /nfs/dbraw/zinc/18/97/81/207189781.db2.gz NYQMXNNGHMHWRD-DTQAZKPQSA-N 0 0 379.420 1.899 50 10 GDCARN CSCC[C@]1(C(=O)[O-])[NH2+][C@H](c2ccccc2O)[C@H]2C(=O)N(C(C)C)C(=O)[C@@H]21 ZINC000013140130 570748954 /nfs/dbraw/zinc/74/89/54/570748954.db2.gz IJYFMNFZBZDEML-HRLGVUPISA-N 0 0 392.477 1.623 50 10 GDCARN CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C(=O)O1 ZINC000000904582 206331415 /nfs/dbraw/zinc/33/14/15/206331415.db2.gz WAJBQQZCOOAKIG-UHFFFAOYSA-N 0 0 377.374 1.814 50 10 GDCARN O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)N[C@H]1CSC[C@H]1O ZINC000036585362 206798783 /nfs/dbraw/zinc/79/87/83/206798783.db2.gz GGHUQXUPSZNOTA-MLWHTIFUSA-N 0 0 398.531 1.854 50 10 GDCARN O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNCCC[NH+]1CCOCC1 ZINC000018066174 207092500 /nfs/dbraw/zinc/09/25/00/207092500.db2.gz IOWNFZHKCQPWLR-QINSGFPZSA-N 0 0 392.843 1.119 50 10 GDCARN CCOC(=O)C1CCN(c2c(=O)c(=O)c2NCc2ccc(N(C)C)cc2)CC1 ZINC000020331093 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ZINC000004586763 570921996 /nfs/dbraw/zinc/92/19/96/570921996.db2.gz VHHPWKKPMJRRGT-QRWLVFNGSA-N 0 0 398.419 1.126 50 10 GDCARN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 ZINC000002374368 530531803 /nfs/dbraw/zinc/53/18/03/530531803.db2.gz REYFVYMVQUUYGP-LAPSENCUSA-N 0 0 384.460 1.983 50 10 GDCARN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 ZINC000002068995 530532242 /nfs/dbraw/zinc/53/22/42/530532242.db2.gz KGBLVXGOGLWEGZ-LAPSENCUSA-N 0 0 384.460 1.983 50 10 GDCARN COCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(C)C1=O ZINC000033436441 530612399 /nfs/dbraw/zinc/61/23/99/530612399.db2.gz IRUQYWLYAFDSPP-PKNBQFBNSA-N 0 0 376.463 1.584 50 10 GDCARN Cn1ccnc1Sc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1[N+](=O)[O-] ZINC000001661661 212252330 /nfs/dbraw/zinc/25/23/30/212252330.db2.gz FYFSHFLVINWXKW-UHFFFAOYSA-N 0 0 389.418 1.394 50 10 GDCARN CN(C)c1ccc(CN(C)C(=O)Cn2cc(Br)c(=O)[nH]c2=O)cc1 ZINC000008779758 221058154 /nfs/dbraw/zinc/05/81/54/221058154.db2.gz DWHVPOCPLMKMPQ-UHFFFAOYSA-N 0 0 395.257 1.024 50 10 GDCARN COc1ccc(/C=C2\SC(N3CCN(CCO)CC3)=NC2=O)cc1OC ZINC000012437339 221193515 /nfs/dbraw/zinc/19/35/15/221193515.db2.gz JBDDNLSOIATSFA-VBKFSLOCSA-N 0 0 377.466 1.284 50 10 GDCARN COc1ccc(N2CCN([C@H](CNS(C)(=O)=O)c3ccco3)CC2)cc1 ZINC000004273099 136193850 /nfs/dbraw/zinc/19/38/50/136193850.db2.gz JKPNHUXYPIPABO-QGZVFWFLSA-N 0 0 379.482 1.701 50 10 GDCARN C[C@H](NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000072117401 222206641 /nfs/dbraw/zinc/20/66/41/222206641.db2.gz WIIMQPHZOMVKLF-HNNXBMFYSA-N 0 0 395.525 1.372 50 10 GDCARN COc1cccc([C@@H]2[NH2+][C@](CC(C)C)(C(=O)[O-])[C@H]3C(=O)N(C)C(=O)[C@H]23)c1O ZINC000019858348 570226022 /nfs/dbraw/zinc/22/60/22/570226022.db2.gz VCAGUDYPSNEJRA-LJPSSGMGSA-N 0 0 376.409 1.146 50 10 GDCARN COCCN1C(=O)C(=CNc2cc(C(F)(F)F)ccc2O)C(=O)NC1=S ZINC000006550779 570277058 /nfs/dbraw/zinc/27/70/58/570277058.db2.gz KZAMBAFLFQPOTO-CLFYSBASSA-N 0 0 389.355 1.597 50 10 GDCARN COc1ccc(-n2nnnc2CN2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000023134901 570390783 /nfs/dbraw/zinc/39/07/83/570390783.db2.gz LXKWWOBZPUWVPR-UHFFFAOYSA-N 0 0 384.465 1.690 50 10 GDCARN COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1O ZINC000001186574 212226515 /nfs/dbraw/zinc/22/65/15/212226515.db2.gz JHZROPCJVYJCMC-UHFFFAOYSA-N 0 0 385.239 1.762 50 10 GDCARN COc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000009571120 212198675 /nfs/dbraw/zinc/19/86/75/212198675.db2.gz DZNAMELAESNGLD-UHFFFAOYSA-N 0 0 389.437 1.466 50 10 GDCARN COc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1O ZINC000096935902 212155222 /nfs/dbraw/zinc/15/52/22/212155222.db2.gz AVIJPFVFLLMGHW-RVDMUPIBSA-N 0 0 380.491 1.934 50 10 GDCARN COc1ccc(-n2nnnc2CNC(=O)Cc2ccc(OC)c(OC)c2)cc1 ZINC000016955102 221373534 /nfs/dbraw/zinc/37/35/34/221373534.db2.gz XVIRYEDMUJOMJM-UHFFFAOYSA-N 0 0 383.408 1.547 50 10 biogenic GDCARN CCNc1nc2nnc(SCC(=O)N3C[C@@H](C)O[C@@H](C)C3)n2c(NCC)n1 ZINC000018085166 221387150 /nfs/dbraw/zinc/38/71/50/221387150.db2.gz 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COc1cc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc(OC)c1OC ZINC000019841909 570225116 /nfs/dbraw/zinc/22/51/16/570225116.db2.gz IPVPSADWTZTGLP-PTNGSMBKSA-N 0 0 377.466 1.930 50 10 GDCARN O=C(COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)NC1CC1 ZINC000006083497 570239301 /nfs/dbraw/zinc/23/93/01/570239301.db2.gz SWQQSZCMNZAGMS-UHFFFAOYSA-N 0 0 394.339 1.806 50 10 GDCARN CC[NH+](CC)CCNC=C1C(=O)[N-]C(=S)N(c2ccc(OC)cc2)C1=O ZINC000002594127 570291868 /nfs/dbraw/zinc/29/18/68/570291868.db2.gz KNPAVDXQZCHIJD-NTCAYCPXSA-N 0 0 376.482 1.258 50 10 GDCARN COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc(Br)c1OC ZINC000001160202 530531334 /nfs/dbraw/zinc/53/13/34/530531334.db2.gz NNQDIPWAXHSPDY-UHFFFAOYSA-N 0 0 383.198 1.900 50 10 GDCARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 ZINC000004322385 530535959 /nfs/dbraw/zinc/53/59/59/530535959.db2.gz KGBLVXGOGLWEGZ-ZWIPKHHJSA-N 0 0 384.460 1.983 50 10 GDCARN CCN(/C=C1\SC(=S)N(Cc2ccco2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000009049719 530550568 /nfs/dbraw/zinc/55/05/68/530550568.db2.gz LXZNXSYWJZXJGE-KWJWQAOWSA-N 0 0 386.520 1.990 50 10 GDCARN COc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)ccc1O ZINC000020205768 530569321 /nfs/dbraw/zinc/56/93/21/530569321.db2.gz GUDIFXWRPMNZAL-MBCYWTQPSA-N 0 0 380.407 1.022 50 10 GDCARN CCN(/C=C1\SC(=S)N(CCCOC)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000030819371 530600890 /nfs/dbraw/zinc/60/08/90/530600890.db2.gz QRJSDOVTCFVYIE-AWPPVZKDSA-N 0 0 378.541 1.234 50 10 GDCARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(OCC(N)=O)cc1 ZINC000010907753 221107996 /nfs/dbraw/zinc/10/79/96/221107996.db2.gz NXMJMSBLJYXNAK-UHFFFAOYSA-N 0 0 383.448 1.660 50 10 GDCARN COc1cc([C@H]2NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)cc(O)c1O ZINC000012507328 221199944 /nfs/dbraw/zinc/19/99/44/221199944.db2.gz CISXYJMLZZDTLA-KRWDZBQOSA-N 0 0 397.391 1.714 50 10 GDCARN COc1ccc(OC)c(NC=C2C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)c1 ZINC000013551172 221273536 /nfs/dbraw/zinc/27/35/36/221273536.db2.gz UWUQHCMERKQKJX-OJLMPMFISA-N 0 0 379.438 1.405 50 10 GDCARN COc1ccc(N2CCN(C(=O)c3c(C)oc4ncn(C)c(=O)c43)CC2)cc1 ZINC000061432537 136155943 /nfs/dbraw/zinc/15/59/43/136155943.db2.gz JTDWRDQMZIADQV-UHFFFAOYSA-N 0 0 382.420 1.806 50 10 GDCARN CN(C)c1ccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000024378566 221613756 /nfs/dbraw/zinc/61/37/56/221613756.db2.gz LSZKJZLIZOLBCD-UHFFFAOYSA-N 0 0 386.477 1.450 50 10 GDCARN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000096011702 222371623 /nfs/dbraw/zinc/37/16/23/222371623.db2.gz JPXYCIGMCQZMBE-CXAGYDPISA-N 0 0 381.436 1.924 50 10 GDCARN COC[C@H]1CCCN(C(=O)NCc2ccc(N3CCNC(=O)C3)c(F)c2)C1 ZINC000095959356 536515612 /nfs/dbraw/zinc/51/56/12/536515612.db2.gz KQTBIJNTKVHUPK-HNNXBMFYSA-N 0 0 378.448 1.330 50 10 GDCARN CC[C@@H](C)N1C(=O)C(=CNCc2nc(-c3ccccc3)no2)C(=O)NC1=S ZINC000020591709 570269329 /nfs/dbraw/zinc/26/93/29/570269329.db2.gz MICFLYZIBKKVAO-VSXLWIIGSA-N 0 0 385.449 1.752 50 10 GDCARN CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000004973739 570420671 /nfs/dbraw/zinc/42/06/71/570420671.db2.gz JZSMAGGKOMUWPV-UHFFFAOYSA-N 0 0 395.525 1.406 50 10 GDCARN O=C1NC(=S)N(C2CCCCC2)C(=O)C1=CNCc1ccc2c(c1)OCO2 ZINC000005626286 570675703 /nfs/dbraw/zinc/67/57/03/570675703.db2.gz VOMHIAPWZUCGPO-UVTDQMKNSA-N 0 0 387.461 1.965 50 10 GDCARN O=C1CSC(=S)N1N1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O ZINC000002111050 570950337 /nfs/dbraw/zinc/95/03/37/570950337.db2.gz CEULOEJFMGXPHM-ZDUSSCGKSA-N 0 0 386.458 1.039 50 10 biogenic GDCARN Cc1c(NC=C2C(=O)NC(=S)N(C3CC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000101085563 231009863 /nfs/dbraw/zinc/00/98/63/231009863.db2.gz JEHBRLYSKBFJHS-GXDHUFHOSA-N 0 0 397.460 1.186 50 10 GDCARN CCn1c(-c2ccccc2)cnc1SCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000007126204 530544427 /nfs/dbraw/zinc/54/44/27/530544427.db2.gz SVWGFKRVYHQWMI-AWEZNQCLSA-N 0 0 379.507 1.965 50 10 GDCARN COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CC[C@@H](C)C2 ZINC000040476925 530620311 /nfs/dbraw/zinc/62/03/11/530620311.db2.gz OKPLNPFHHUGDCQ-SSDOTTSWSA-N 0 0 379.463 1.486 50 10 GDCARN Cc1[n-]n(-c2ccc(I)cc2)c(=O)c1C=Nc1nn[nH]n1 ZINC000102435896 530828094 /nfs/dbraw/zinc/82/80/94/530828094.db2.gz XWPJAZKRXVESTN-POHAHGRESA-N 0 0 395.164 1.523 50 10 GDCARN CCCCN1C(=O)[C@@H]2[C@H](c3ccc(OC)cc3O)[NH2+][C@@](C)(C(=O)[O-])[C@H]2C1=O ZINC000245236743 212134821 /nfs/dbraw/zinc/13/48/21/212134821.db2.gz VOPZVBOAQABJMO-QCUYGVNKSA-N 0 0 376.409 1.290 50 10 GDCARN O=C(COC(=O)c1csc2c1CCCC2)NCCN1C(=O)CSC1=S ZINC000006552242 220941288 /nfs/dbraw/zinc/94/12/88/220941288.db2.gz BKSOHPWQXWPGEG-UHFFFAOYSA-N 0 0 398.531 1.760 50 10 GDCARN COc1ccc(N(CCC(N)=O)CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)cc1 ZINC000009157229 221072800 /nfs/dbraw/zinc/07/28/00/221072800.db2.gz JBLQKRQGWAAIFJ-CQSZACIVSA-N 0 0 399.447 1.983 50 10 GDCARN COc1cc(NC=C2C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)cc(OC)c1 ZINC000013656473 221279620 /nfs/dbraw/zinc/27/96/20/221279620.db2.gz CSSGXRDVGWQQHP-LWLPBDFMSA-N 0 0 379.438 1.405 50 10 GDCARN CCCCn1c(N)c(N(C)C(=O)C=Cc2ccccc2[N+](=O)[O-])c(=O)[nH]c1=O ZINC000014656534 221314733 /nfs/dbraw/zinc/31/47/33/221314733.db2.gz UDNTXUUSPTXXCU-MDZDMXLPSA-N 0 0 387.396 1.503 50 10 GDCARN CCS(=O)(=O)N1CCC(C(=O)NCCN(C)c2ccc(OC)cc2)CC1 ZINC000072140573 222211416 /nfs/dbraw/zinc/21/14/16/222211416.db2.gz NBYOQSAHHZIGNG-UHFFFAOYSA-N 0 0 383.514 1.309 50 10 GDCARN COCCNC(=O)c1csc(N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000065211513 536891639 /nfs/dbraw/zinc/89/16/39/536891639.db2.gz NZLHKQVCUXTDOE-UHFFFAOYSA-N 0 0 376.482 1.855 50 10 GDCARN COc1cccc(N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)[N-]C2=S)c1 ZINC000019997448 570234523 /nfs/dbraw/zinc/23/45/23/570234523.db2.gz MRRCNOVUNVLIOP-DTQAZKPQSA-N 0 0 388.493 1.402 50 10 GDCARN COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCCO ZINC000004999630 570423076 /nfs/dbraw/zinc/42/30/76/570423076.db2.gz NHUUXYIJEQHCQM-WJDWOHSUSA-N 0 0 388.449 1.808 50 10 GDCARN COc1ccc(N2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)cc1 ZINC000005228957 570431968 /nfs/dbraw/zinc/43/19/68/570431968.db2.gz NGZOFXRZOLDAHU-UHFFFAOYSA-N 0 0 378.432 1.754 50 10 GDCARN O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)N[C@H]1CCS(=O)(=O)C1 ZINC000029923014 570482933 /nfs/dbraw/zinc/48/29/33/570482933.db2.gz GXKYWKVZUBXSSY-LBPRGKRZSA-N 0 0 392.399 1.641 50 10 GDCARN Cc1cc(C)c(NC(=O)CN(/N=N/c2nonc2N)c2nonc2N)c(C)c1 ZINC000008443593 570532096 /nfs/dbraw/zinc/53/20/96/570532096.db2.gz AMWMIXMAMWNIOL-LYBHJNIJSA-N 0 0 386.376 1.686 50 10 GDCARN COc1ccc(OC)c(NC=C2C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)c1 ZINC000101484534 570824554 /nfs/dbraw/zinc/82/45/54/570824554.db2.gz UWUQHCMERKQKJX-IGVUGNCQSA-N 0 0 379.438 1.405 50 10 GDCARN