smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([C@@H]1Nc2ccccc2[C@H]2C=CC[C@@H]21)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067817286 205394904 /nfs/dbraw/zinc/39/49/04/205394904.db2.gz ZCZSDXGZFROYAV-UWWQBHOKSA-N 1 1 366.465 1.221 50 10 FDCAMO COc1ccc(N2C(=O)C(=CN[C@@H]3CCCC[C@@H]3[NH3+])C(=O)NC2=S)cc1 ZINC000020329244 518846866 /nfs/dbraw/zinc/84/68/66/518846866.db2.gz KTZZGDULFHNKAC-XEZFYOOLSA-N 1 1 374.466 1.186 50 10 FDCAMO O=C(NCCc1nnc2n1CC[N@H+](Cc1ccccc1O)CC2)C1CCC1 ZINC000020451457 526464686 /nfs/dbraw/zinc/46/46/86/526464686.db2.gz NVHAXBJXCQGLQV-UHFFFAOYSA-N 1 1 369.469 1.501 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000002591631 263145554 /nfs/dbraw/zinc/14/55/54/263145554.db2.gz KKZRGVDLBNGHOV-RVDMUPIBSA-N 1 1 362.405 1.219 50 10 FDCAMO [NH3+][C@@H]1CCCC[C@@H]1NC=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000002436297 204038522 /nfs/dbraw/zinc/03/85/22/204038522.db2.gz XZYVLHGUHLQQIL-UXHADMKASA-N 1 1 360.389 1.148 50 10 FDCAMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000229907597 132288797 /nfs/dbraw/zinc/28/87/97/132288797.db2.gz LUVSDVSPYCZFTO-ZZQVFJBOSA-N 1 1 373.497 1.450 50 10 FDCAMO COC(=O)c1cc2ccccc2c(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)c1O ZINC000014169427 518681382 /nfs/dbraw/zinc/68/13/82/518681382.db2.gz XYDHMYLFXPBMAK-ZDUSSCGKSA-N 1 1 363.435 1.951 50 10 FDCAMO COC(=O)c1cc2ccccc2c(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)c1O ZINC000014169427 518681390 /nfs/dbraw/zinc/68/13/90/518681390.db2.gz XYDHMYLFXPBMAK-ZDUSSCGKSA-N 1 1 363.435 1.951 50 10 FDCAMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](CC(C)(C)O)C(C)C)cc2=O ZINC000084800523 571100750 /nfs/dbraw/zinc/10/07/50/571100750.db2.gz GXKVMSPFXHBZRD-UHFFFAOYSA-N 1 1 350.419 1.593 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2cccc(C)c2)C1=O ZINC000002198922 132382675 /nfs/dbraw/zinc/38/26/75/132382675.db2.gz QTHCFUDZYIBCBU-NTCAYCPXSA-N 1 1 360.483 1.558 50 10 FDCAMO Cc1ccccc1N1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)NC1=S ZINC000019359906 518809013 /nfs/dbraw/zinc/80/90/13/518809013.db2.gz XYPZWZAZESALID-FYWRMAATSA-N 1 1 372.494 1.702 50 10 FDCAMO C[NH+](C)CCNC=C1C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000002293032 132383099 /nfs/dbraw/zinc/38/30/99/132383099.db2.gz ZUDLUPLJHQUKLA-KTKRTIGZSA-N 1 1 352.847 1.123 50 10 FDCAMO Cc1ccc(N2C(=O)C(=CN[C@@H]3CCCC[C@@H]3[NH3+])C(=O)NC2=S)cc1 ZINC000020290962 518847817 /nfs/dbraw/zinc/84/78/17/518847817.db2.gz RQFAYGYBOXAZDU-XEZFYOOLSA-N 1 1 358.467 1.486 50 10 FDCAMO [NH3+][C@H]1CCCC[C@H]1NC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000101130847 206227365 /nfs/dbraw/zinc/22/73/65/206227365.db2.gz NDAIJSNXWHOZRD-QNHDLBPPSA-N 1 1 374.416 1.190 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccc(F)cc2)C1=O ZINC000002298381 132383065 /nfs/dbraw/zinc/38/30/65/132383065.db2.gz FTCFVEFAENUMOV-SDNWHVSQSA-N 1 1 364.446 1.389 50 10 FDCAMO CN1C[C@@]2(CC[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)OC1=O ZINC000072422310 136146014 /nfs/dbraw/zinc/14/60/14/136146014.db2.gz HWTSITCWZRZBQL-LJQANCHMSA-N 1 1 359.426 1.911 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000103109882 570843887 /nfs/dbraw/zinc/84/38/87/570843887.db2.gz ZFXWKLZWRHQGTF-QINSGFPZSA-N 1 1 360.483 1.969 50 10 FDCAMO CC[NH+](CC)CCCNC=C1C(=O)NC(=S)N(c2cccc(C)c2)C1=O ZINC000002335063 535507187 /nfs/dbraw/zinc/50/71/87/535507187.db2.gz LDPYVNAKLFCWDU-DTQAZKPQSA-N 1 1 374.510 1.948 50 10 FDCAMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000246725732 537012809 /nfs/dbraw/zinc/01/28/09/537012809.db2.gz LUVSDVSPYCZFTO-GNLKBHMISA-N 1 1 373.497 1.450 50 10 FDCAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(O)c(O)c2)N1)OCCCO4 ZINC000012507324 518616332 /nfs/dbraw/zinc/61/63/32/518616332.db2.gz DNGNYQZOXLZLJX-MRXNPFEDSA-N 1 1 367.365 1.705 50 10 FDCAMO CC(C)c1ccc(N2C(=O)C(=CNCCC[NH+](C)C)C(=O)NC2=S)cc1 ZINC000019998111 518841809 /nfs/dbraw/zinc/84/18/09/518841809.db2.gz LYDOPEFXHMLADD-FOWTUZBSSA-N 1 1 374.510 1.983 50 10 FDCAMO O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=CNCC[NH+]1CCCCC1 ZINC000020025049 527048707 /nfs/dbraw/zinc/04/87/07/527048707.db2.gz YMNWTSXHUSOISS-DTQAZKPQSA-N 1 1 356.426 1.224 50 10 FDCAMO CN1CC[N@H+]2C[C@@H](NC(=O)[C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)C[C@H]2C1 ZINC000216331824 537449111 /nfs/dbraw/zinc/44/91/11/537449111.db2.gz UJUYKSWURYAYCF-QPZGHMISSA-N 1 1 352.482 1.645 50 10 FDCAMO C[N@@H+]1CCN2C[C@@H](NC(=O)[C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)C[C@H]2C1 ZINC000216331824 537449120 /nfs/dbraw/zinc/44/91/20/537449120.db2.gz UJUYKSWURYAYCF-QPZGHMISSA-N 1 1 352.482 1.645 50 10 FDCAMO C[N@H+]1CCN2C[C@@H](NC(=O)[C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)C[C@H]2C1 ZINC000216331824 537449130 /nfs/dbraw/zinc/44/91/30/537449130.db2.gz UJUYKSWURYAYCF-QPZGHMISSA-N 1 1 352.482 1.645 50 10 FDCAMO CC[NH+](CC)CCCNC=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000002594522 263145241 /nfs/dbraw/zinc/14/52/41/263145241.db2.gz FJCGZGULCLNSBD-DTQAZKPQSA-N 1 1 374.510 1.948 50 10 FDCAMO [NH3+][C@@H]1CCCC[C@H]1NC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000020393246 518848798 /nfs/dbraw/zinc/84/87/98/518848798.db2.gz NDAIJSNXWHOZRD-IBRCSUQUSA-N 1 1 374.416 1.190 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000002233257 670508656 /nfs/dbraw/zinc/50/86/56/670508656.db2.gz OKQQNCNVRUKIFT-OWBHPGMISA-N 1 1 360.483 1.558 50 10 FDCAMO COc1ccc(O)c(CN2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c1 ZINC000022852361 518917466 /nfs/dbraw/zinc/91/74/66/518917466.db2.gz JPTCQAJFJZHOOK-SFHVURJKSA-N 1 1 363.502 1.364 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000001796828 210371912 /nfs/dbraw/zinc/37/19/12/210371912.db2.gz ULULZCZIJBIFCA-VBKFSLOCSA-N 1 1 374.441 1.089 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccccc2F)C1=O ZINC000001768394 132382443 /nfs/dbraw/zinc/38/24/43/132382443.db2.gz BMARKDLYNPWQPA-VAWYXSNFSA-N 1 1 364.446 1.389 50 10 FDCAMO Cc1ccc(N2C(=O)C(=CN[C@@H]3CCCC[C@H]3[NH3+])C(=O)NC2=S)cc1 ZINC000020290966 518847573 /nfs/dbraw/zinc/84/75/73/518847573.db2.gz RQFAYGYBOXAZDU-RTZSPXFWSA-N 1 1 358.467 1.486 50 10 FDCAMO C[NH+]1CCN(C(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)CC1 ZINC000033286154 519584821 /nfs/dbraw/zinc/58/48/21/519584821.db2.gz JSOCDZNOMLSLQC-SDNWHVSQSA-N 1 1 361.492 1.662 50 10 FDCAMO CC[NH+](CC)CCCNC=C1C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000002265493 535507209 /nfs/dbraw/zinc/50/72/09/535507209.db2.gz FEYKHZHRALJGKW-FYWRMAATSA-N 1 1 374.510 1.948 50 10 FDCAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccc(N(C)C)cc2)NC(=O)N[C@H]1C ZINC000057273783 522053051 /nfs/dbraw/zinc/05/30/51/522053051.db2.gz JLBLGXMYGNPIOX-ZDUSSCGKSA-N 1 1 360.458 1.703 50 10 FDCAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccc(N(C)C)cc2)NC(=O)N[C@H]1C ZINC000057273783 522053057 /nfs/dbraw/zinc/05/30/57/522053057.db2.gz JLBLGXMYGNPIOX-ZDUSSCGKSA-N 1 1 360.458 1.703 50 10 FDCAMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C\c2ccc(N3CCOCC3)cc2)C[C@H]1C ZINC000254572193 1011471425 /nfs/dbraw/zinc/47/14/25/1011471425.db2.gz LUVSDVSPYCZFTO-JJEILDCCSA-N 1 1 373.497 1.450 50 10 FDCAMO CN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](C1CCN(c3ccc4c(c3)OCO4)CC1)C2 ZINC000072480851 136149716 /nfs/dbraw/zinc/14/97/16/136149716.db2.gz AHZLQBTXCPBLMI-WMLDXEAASA-N 1 1 357.454 1.937 50 10 FDCAMO CN(C)c1ccc(/C=C(\C(=O)N2CC[NH+](C)CC2)n2ccccc2=O)cc1 ZINC000057256206 522045863 /nfs/dbraw/zinc/04/58/63/522045863.db2.gz JZBXPIBWHIAKPZ-KNTRCKAVSA-N 1 1 366.465 1.686 50 10 FDCAMO C[NH+](C)CCNC=C1C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000096101662 132219044 /nfs/dbraw/zinc/21/90/44/132219044.db2.gz ZUDLUPLJHQUKLA-MDZDMXLPSA-N 1 1 352.847 1.123 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccccc2C)C1=O ZINC000100987963 132233461 /nfs/dbraw/zinc/23/34/61/132233461.db2.gz OKQQNCNVRUKIFT-WYMLVPIESA-N 1 1 360.483 1.558 50 10 FDCAMO COc1ccccc1N1C(=O)C(=CN[C@H]2CCCC[C@H]2[NH3+])C(=O)NC1=S ZINC000020265801 518846770 /nfs/dbraw/zinc/84/67/70/518846770.db2.gz ZNOIBSHIXKJAAC-NQYVGZPUSA-N 1 1 374.466 1.186 50 10 FDCAMO COCCC(=O)N[C@H](C)c1nnc2n1CC[N@H+](Cc1ccccc1O)CC2 ZINC000012281016 877677061 /nfs/dbraw/zinc/67/70/61/877677061.db2.gz CWFGSLTXHSDEDZ-CQSZACIVSA-N 1 1 373.457 1.256 50 10 FDCAMO CCCCCCN1C(=O)NC(=O)C(=CNCCC[NH+](CC)CC)C1=O ZINC000020330599 211274711 /nfs/dbraw/zinc/27/47/11/211274711.db2.gz FSXIKIAYIPJXAD-PFONDFGASA-N 1 1 352.479 1.851 50 10 FDCAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2cccc(O)c2O)N1)OCCCO4 ZINC000012539408 518619944 /nfs/dbraw/zinc/61/99/44/518619944.db2.gz ZDGMUFSEXJOYNT-MRXNPFEDSA-N 1 1 367.365 1.705 50 10 FDCAMO CC[NH+]1CCN(C[C@H](C)CNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000040149994 519641169 /nfs/dbraw/zinc/64/11/69/519641169.db2.gz ZIUJTHPWCZVMLS-QGZVFWFLSA-N 1 1 361.534 1.825 50 10 FDCAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccc(N(C)C)cc2)NC(=O)N[C@@H]1C ZINC000057273780 522052475 /nfs/dbraw/zinc/05/24/75/522052475.db2.gz JLBLGXMYGNPIOX-CYBMUJFWSA-N 1 1 360.458 1.703 50 10 FDCAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccc(N(C)C)cc2)NC(=O)N[C@@H]1C ZINC000057273780 522052488 /nfs/dbraw/zinc/05/24/88/522052488.db2.gz JLBLGXMYGNPIOX-CYBMUJFWSA-N 1 1 360.458 1.703 50 10 FDCAMO CCCCCCN1C(=O)NC(=O)C(=CNCC[NH+]2CCCCC2)C1=O ZINC000020024854 520077092 /nfs/dbraw/zinc/07/70/92/520077092.db2.gz VAEUSZSNRUXSTP-PFONDFGASA-N 1 1 350.463 1.605 50 10 FDCAMO COc1ccc(N2CCN(C(=O)c3csc(C[NH3+])n3)CC2)cc1F ZINC000237269184 536691794 /nfs/dbraw/zinc/69/17/94/536691794.db2.gz BZNGZQOPZJIVBZ-UHFFFAOYSA-N 1 1 350.419 1.712 50 10 FDCAMO C[NH+]1CCN(C(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 ZINC000019891036 523869090 /nfs/dbraw/zinc/86/90/90/523869090.db2.gz VEEQHKSVLCXITO-ACCUITESSA-N 1 1 365.480 1.645 50 10 FDCAMO O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNCCC[NH+]1CCCCC1 ZINC000020331418 518847712 /nfs/dbraw/zinc/84/77/12/518847712.db2.gz KLPRQOCFWWOOBN-JQIJEIRASA-N 1 1 372.494 1.784 50 10 FDCAMO COc1ccc(N2CCC([N@H+]3C[C@H](O)[C@@H](N4CCOCC4)C3)CC2)cc1 ZINC000584898377 551566919 /nfs/dbraw/zinc/56/69/19/551566919.db2.gz OGFKJMJFBOCXQK-PMACEKPBSA-N 1 1 361.486 1.041 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000100774959 222253200 /nfs/dbraw/zinc/25/32/00/222253200.db2.gz ULULZCZIJBIFCA-FOWTUZBSSA-N 1 1 374.441 1.089 50 10 FDCAMO [NH3+][C@H]1CCCC[C@H]1NC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000020393249 220325350 /nfs/dbraw/zinc/32/53/50/220325350.db2.gz NDAIJSNXWHOZRD-HICXADOFSA-N 1 1 374.416 1.190 50 10 FDCAMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000040149993 519641249 /nfs/dbraw/zinc/64/12/49/519641249.db2.gz ZIUJTHPWCZVMLS-KRWDZBQOSA-N 1 1 361.534 1.825 50 10 FDCAMO O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNCC[NH+]1CCCCC1 ZINC000100786348 525215982 /nfs/dbraw/zinc/21/59/82/525215982.db2.gz DJFYQXLWVNFCCJ-BMRADRMJSA-N 1 1 370.453 1.267 50 10 FDCAMO CC[NH+]1CCN(C(=O)c2c(-c3cncnc3)cc(=O)n3c2CCCC3)CC1 ZINC000169786534 864516969 /nfs/dbraw/zinc/51/69/69/864516969.db2.gz JYVUWCVWONCBMP-UHFFFAOYSA-N 1 1 367.453 1.419 50 10 FDCAMO [NH3+][C@H]1CCCC[C@@H]1NC=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000019362021 220253387 /nfs/dbraw/zinc/25/33/87/220253387.db2.gz XZYVLHGUHLQQIL-FQSSWDBKSA-N 1 1 360.389 1.148 50 10 FDCAMO [NH3+][C@@H]1CCCC[C@@H]1NC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000020393240 220325667 /nfs/dbraw/zinc/32/56/67/220325667.db2.gz NDAIJSNXWHOZRD-PSRIFBLRSA-N 1 1 374.416 1.190 50 10 FDCAMO COc1ccccc1N1C(=O)C(=CN[C@@H]2CCCC[C@H]2[NH3+])C(=O)NC1=S ZINC000019364119 518809808 /nfs/dbraw/zinc/80/98/08/518809808.db2.gz ZNOIBSHIXKJAAC-HRFIDBLHSA-N 1 1 374.466 1.186 50 10 FDCAMO CN1CC[N@H+]2C[C@@H](NC(=O)[C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)C[C@H]2C1 ZINC000244840254 523932066 /nfs/dbraw/zinc/93/20/66/523932066.db2.gz UJUYKSWURYAYCF-AVFIKVKVSA-N 1 1 352.482 1.645 50 10 FDCAMO C[N@@H+]1CCN2C[C@@H](NC(=O)[C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)C[C@H]2C1 ZINC000244840254 523932070 /nfs/dbraw/zinc/93/20/70/523932070.db2.gz UJUYKSWURYAYCF-AVFIKVKVSA-N 1 1 352.482 1.645 50 10 FDCAMO C[N@H+]1CCN2C[C@@H](NC(=O)[C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)C[C@H]2C1 ZINC000244840254 523932073 /nfs/dbraw/zinc/93/20/73/523932073.db2.gz UJUYKSWURYAYCF-AVFIKVKVSA-N 1 1 352.482 1.645 50 10 FDCAMO CN1C(=O)/C(=C\c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)SC1=S ZINC000004745903 518310394 /nfs/dbraw/zinc/31/03/94/518310394.db2.gz MMDUYKUKKYRJKO-SDNWHVSQSA-N 1 1 361.492 1.905 50 10 FDCAMO Cn1cc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)c(=O)n(C)c1=O ZINC000095430343 132211131 /nfs/dbraw/zinc/21/11/31/132211131.db2.gz VIKNHMITPVMPCD-UHFFFAOYSA-N 1 1 356.470 1.706 50 10 FDCAMO C[NH+](C)CCNC=C1C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000002592387 132383725 /nfs/dbraw/zinc/38/37/25/132383725.db2.gz WJTBPJUONQHKFB-FMIVXFBMSA-N 1 1 352.847 1.123 50 10 FDCAMO CCCCCCN1C(=O)NC(=O)C(=CNCCC[NH+](CC)CC)C1=O ZINC000101084831 222261982 /nfs/dbraw/zinc/26/19/82/222261982.db2.gz FSXIKIAYIPJXAD-CCEZHUSRSA-N 1 1 352.479 1.851 50 10 FDCAMO Cc1cccc(N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=S)c1 ZINC000020025318 518842737 /nfs/dbraw/zinc/84/27/37/518842737.db2.gz IHWFFNNBGVYLPU-DTQAZKPQSA-N 1 1 372.494 1.702 50 10 FDCAMO O=C1NC(=S)N(c2ccccc2)C(=O)C1=CNCC[NH+]1CCCCC1 ZINC000020023289 518843519 /nfs/dbraw/zinc/84/35/19/518843519.db2.gz NETNAUIEOBMZNM-FYWRMAATSA-N 1 1 358.467 1.394 50 10 FDCAMO [NH3+][C@@H]1CCCC[C@@H]1NC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000101130854 206226084 /nfs/dbraw/zinc/22/60/84/206226084.db2.gz NDAIJSNXWHOZRD-MEDRYPNSSA-N 1 1 374.416 1.190 50 10 FDCAMO [NH3+][C@@H]1CCCC[C@H]1NC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000101130851 206227147 /nfs/dbraw/zinc/22/71/47/206227147.db2.gz NDAIJSNXWHOZRD-GSEJNISDSA-N 1 1 374.416 1.190 50 10 FDCAMO CN1CC[N@H+]2C[C@@H](NC(=O)[C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)C[C@H]2C1 ZINC000106724895 206243637 /nfs/dbraw/zinc/24/36/37/206243637.db2.gz UJUYKSWURYAYCF-KFYUBCHVSA-N 1 1 352.482 1.645 50 10 FDCAMO C[N@@H+]1CCN2C[C@@H](NC(=O)[C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)C[C@H]2C1 ZINC000106724895 206243642 /nfs/dbraw/zinc/24/36/42/206243642.db2.gz UJUYKSWURYAYCF-KFYUBCHVSA-N 1 1 352.482 1.645 50 10 FDCAMO C[N@H+]1CCN2C[C@@H](NC(=O)[C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)C[C@H]2C1 ZINC000106724895 206243644 /nfs/dbraw/zinc/24/36/44/206243644.db2.gz UJUYKSWURYAYCF-KFYUBCHVSA-N 1 1 352.482 1.645 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000001875653 132382575 /nfs/dbraw/zinc/38/25/75/132382575.db2.gz PUBOAERTOHAUHL-QINSGFPZSA-N 1 1 374.510 1.866 50 10 FDCAMO Cc1ccc(N2C(=O)C(=CN[C@H]3CCCC[C@@H]3[NH3+])C(=O)NC2=S)cc1 ZINC000020290965 518846616 /nfs/dbraw/zinc/84/66/16/518846616.db2.gz RQFAYGYBOXAZDU-CMOQBRTCSA-N 1 1 358.467 1.486 50 10 FDCAMO C[NH+](C)CCCNC=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000002240744 670508407 /nfs/dbraw/zinc/50/84/07/670508407.db2.gz ADAPBHFVTAOROK-RAXLEYEMSA-N 1 1 366.874 1.513 50 10 FDCAMO COC(=O)c1cc2ccccc2c(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000014169426 518681019 /nfs/dbraw/zinc/68/10/19/518681019.db2.gz XYDHMYLFXPBMAK-CYBMUJFWSA-N 1 1 363.435 1.951 50 10 FDCAMO COC(=O)c1cc2ccccc2c(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000014169426 518681026 /nfs/dbraw/zinc/68/10/26/518681026.db2.gz XYDHMYLFXPBMAK-CYBMUJFWSA-N 1 1 363.435 1.951 50 10 FDCAMO COc1ccccc1N1C(=O)C(=CN[C@H]2CCCC[C@@H]2[NH3+])C(=O)NC1=S ZINC000019372175 518810187 /nfs/dbraw/zinc/81/01/87/518810187.db2.gz ZNOIBSHIXKJAAC-QFEHZMRISA-N 1 1 374.466 1.186 50 10 FDCAMO [NH3+][C@H]1CCCC[C@H]1NC=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000020461189 518851096 /nfs/dbraw/zinc/85/10/96/518851096.db2.gz XZYVLHGUHLQQIL-WMHHWXMBSA-N 1 1 360.389 1.148 50 10 FDCAMO COc1ccc(N2C(=O)C(=CN[C@H]3CCCC[C@H]3[NH3+])C(=O)NC2=S)cc1 ZINC000020329261 518847252 /nfs/dbraw/zinc/84/72/52/518847252.db2.gz KTZZGDULFHNKAC-XGWPRKDGSA-N 1 1 374.466 1.186 50 10 FDCAMO CC[NH+](CC)CCNNC=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000020267167 520687177 /nfs/dbraw/zinc/68/71/77/520687177.db2.gz CAXSETKBNLTABX-WYMLVPIESA-N 1 1 361.471 1.595 50 10 FDCAMO COc1ccccc1N1C(=O)C(=CN[C@@H]2CCCC[C@@H]2[NH3+])C(=O)NC1=S ZINC000020265794 518847391 /nfs/dbraw/zinc/84/73/91/518847391.db2.gz ZNOIBSHIXKJAAC-LZBRBDLSSA-N 1 1 374.466 1.186 50 10 FDCAMO Cc1ccc(N2C(=O)C(=CN[C@H]3CCCC[C@H]3[NH3+])C(=O)NC2=S)cc1 ZINC000020290969 518848057 /nfs/dbraw/zinc/84/80/57/518848057.db2.gz RQFAYGYBOXAZDU-XGWPRKDGSA-N 1 1 358.467 1.486 50 10 FDCAMO C[NH+]1CCN(C(=O)c2c(-c3cncnc3)cc(=O)n3c2CCCC3)CC1 ZINC000581799732 927584038 /nfs/dbraw/zinc/58/40/38/927584038.db2.gz PSWSZYJPINIYNH-UHFFFAOYSA-N 1 1 353.426 1.029 50 10 FDCAMO C[NH+](C)CCCNC=C1C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000002208894 132382837 /nfs/dbraw/zinc/38/28/37/132382837.db2.gz VXCGTWXLKBBUSS-ZHACJKMWSA-N 1 1 366.874 1.513 50 10 FDCAMO CN(C)c1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=S)N(C)C2=O)cc1 ZINC000000980518 518223870 /nfs/dbraw/zinc/22/38/70/518223870.db2.gz KTWNKRKKHKOXHA-RVDMUPIBSA-N 1 1 354.435 1.800 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000001816868 518235904 /nfs/dbraw/zinc/23/59/04/518235904.db2.gz PEAJEQFBYONXNZ-PEZBUJJGSA-N 1 1 358.442 1.123 50 10 FDCAMO O=C([C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]21)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067817288 523596266 /nfs/dbraw/zinc/59/62/66/523596266.db2.gz ZCZSDXGZFROYAV-YXJHDRRASA-N 1 1 366.465 1.221 50 10 FDCAMO O=C([C@@H]1Nc2ccccc2[C@H]2C=CC[C@H]21)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067817290 523595734 /nfs/dbraw/zinc/59/57/34/523595734.db2.gz ZCZSDXGZFROYAV-QGPMSJSTSA-N 1 1 366.465 1.221 50 10 FDCAMO O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNCC[NH+]1CCCCC1 ZINC000002892730 783268660 /nfs/dbraw/zinc/26/86/60/783268660.db2.gz YGBIBLSQFAZCRL-ICFOKQHNSA-N 1 1 374.485 1.915 50 10 FDCAMO Cc1ccc(N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=S)cc1 ZINC000019996347 518841045 /nfs/dbraw/zinc/84/10/45/518841045.db2.gz CMMZMHPJZOEOEE-DTQAZKPQSA-N 1 1 372.494 1.702 50 10 FDCAMO COc1cccc(N2C(=O)C(=CN[C@H]3CCCC[C@H]3[NH3+])C(=O)NC2=S)c1 ZINC000020292070 518847502 /nfs/dbraw/zinc/84/75/02/518847502.db2.gz BSCUFYBPWHGEKW-XGWPRKDGSA-N 1 1 374.466 1.186 50 10 FDCAMO C[NH+]1CCN(C(=O)CN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 ZINC000020647335 518856199 /nfs/dbraw/zinc/85/61/99/518856199.db2.gz ZRNABCHXHXDXDF-FMIVXFBMSA-N 1 1 351.453 1.255 50 10 FDCAMO Cc1cc(C)c(N2C(=O)C(=CNCC[NH+](C)C)C(=O)NC2=S)c(C)c1 ZINC000101205182 132233846 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UJUYKSWURYAYCF-ZMHQTACCSA-N 1 1 352.482 1.645 50 10 FDCAMO COc1ccc(O)c(CN2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c1 ZINC000104300737 222354947 /nfs/dbraw/zinc/35/49/47/222354947.db2.gz JPTCQAJFJZHOOK-GOSISDBHSA-N 1 1 363.502 1.364 50 10 FDCAMO CC[NH+](CC)CCCNC=C1C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000002594232 263145236 /nfs/dbraw/zinc/14/52/36/263145236.db2.gz LHIVWGUFTCYCFD-FYWRMAATSA-N 1 1 360.483 1.640 50 10 FDCAMO CN1C(=O)C(=CNC[C@@H](c2ccccc2Cl)[NH+](C)C)C(=O)N(C)C1=O ZINC000023641975 211393268 /nfs/dbraw/zinc/39/32/68/211393268.db2.gz XWKTTYBAGKKLFV-AWEZNQCLSA-N 1 1 364.833 1.467 50 10 FDCAMO CNC(=O)CC[N@H+]1CCC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000072163221 136143314 /nfs/dbraw/zinc/14/33/14/136143314.db2.gz HVVZRLFWDWFNLS-GOSISDBHSA-N 1 1 360.502 1.418 50 10 FDCAMO COc1cccc(N2C(=O)C(=CN[C@@H]3CCCC[C@H]3[NH3+])C(=O)NC2=S)c1 ZINC000020292067 518847195 /nfs/dbraw/zinc/84/71/95/518847195.db2.gz BSCUFYBPWHGEKW-RTZSPXFWSA-N 1 1 374.466 1.186 50 10 FDCAMO CN1C(=O)C(=CNC[C@H](c2ccccc2Cl)[NH+](C)C)C(=O)N(C)C1=O ZINC000023641977 211393324 /nfs/dbraw/zinc/39/33/24/211393324.db2.gz XWKTTYBAGKKLFV-CQSZACIVSA-N 1 1 364.833 1.467 50 10 FDCAMO C[NH+]1CCN(C(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1 ZINC000019618086 211240544 /nfs/dbraw/zinc/24/05/44/211240544.db2.gz JSOCDZNOMLSLQC-KAMYIIQDSA-N 1 1 361.492 1.662 50 10 FDCAMO COCCC(=O)N[C@@H](C)c1nnc2n1CC[N@H+](Cc1ccccc1O)CC2 ZINC000012281015 877676948 /nfs/dbraw/zinc/67/69/48/877676948.db2.gz CWFGSLTXHSDEDZ-AWEZNQCLSA-N 1 1 373.457 1.256 50 10 FDCAMO C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[C@@H]1C ZINC000107502321 999023695 /nfs/dbraw/zinc/02/36/95/999023695.db2.gz LUVSDVSPYCZFTO-ZGCXVMDJSA-N 1 1 373.497 1.450 50 10 FDCAMO [NH3+][C@@H]1CCCC[C@H]1NC=C1C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000020461187 211281165 /nfs/dbraw/zinc/28/11/65/211281165.db2.gz XZYVLHGUHLQQIL-IVBVFNMWSA-N 1 1 360.389 1.148 50 10 FDCAMO C[NH+](C)CCCNC=C1C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000002261956 132382945 /nfs/dbraw/zinc/38/29/45/132382945.db2.gz CEKOMAMESWPJBW-JLHYYAGUSA-N 1 1 366.874 1.513 50 10 FDCAMO CN1C[C@]2(CC[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)OC1=O ZINC000072422311 136146151 /nfs/dbraw/zinc/14/61/51/136146151.db2.gz HWTSITCWZRZBQL-IBGZPJMESA-N 1 1 359.426 1.911 50 10 FDCAMO COc1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](C(=O)NCc4cnc(C)cn4)[C@H]3C2)c1 ZINC000101753528 222283898 /nfs/dbraw/zinc/28/38/98/222283898.db2.gz TYOUMGZUOJLQJZ-DZFIZOCASA-N 1 1 368.437 1.493 50 10 FDCAMO CN(C)c1ccc(C[N@@H+]2CCc3nc(N4CCOCC4)ncc3C2)cc1 ZINC000015779278 571351689 /nfs/dbraw/zinc/35/16/89/571351689.db2.gz QWKWMEIEEAXIPM-UHFFFAOYSA-N 1 1 353.470 1.938 50 10 FDCAMO CN(C)c1ccc(C[N@H+]2CCc3nc(N4CCOCC4)ncc3C2)cc1 ZINC000015779278 571351690 /nfs/dbraw/zinc/35/16/90/571351690.db2.gz QWKWMEIEEAXIPM-UHFFFAOYSA-N 1 1 353.470 1.938 50 10 FDCAMO CCN(CC)S(=O)(=O)N1CC[NH+](Cc2cc(C)c(C)cc2O)CC1 ZINC000014229518 211086968 /nfs/dbraw/zinc/08/69/68/211086968.db2.gz LUINEMNNMARRRK-UHFFFAOYSA-N 1 1 355.504 1.713 50 10 FDCAMO COc1ccc(N2C(=O)C(=CN[C@@H]3CCCC[C@H]3[NH3+])C(=O)NC2=S)cc1 ZINC000020329256 518847993 /nfs/dbraw/zinc/84/79/93/518847993.db2.gz KTZZGDULFHNKAC-RTZSPXFWSA-N 1 1 374.466 1.186 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O ZINC000019989882 132894097 /nfs/dbraw/zinc/89/40/97/132894097.db2.gz ZFXWKLZWRHQGTF-NTCAYCPXSA-N 1 1 360.483 1.558 50 10 FDCAMO CNC(=O)CC[N@H+]1CCC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000072163220 136143248 /nfs/dbraw/zinc/14/32/48/136143248.db2.gz HVVZRLFWDWFNLS-SFHVURJKSA-N 1 1 360.502 1.418 50 10 FDCAMO CC(C)c1ccc(N2C(=O)C(=CNCC[NH+](C)C)C(=O)NC2=S)cc1 ZINC000019949523 518840654 /nfs/dbraw/zinc/84/06/54/518840654.db2.gz BHDVNNODYPWUAQ-RVDMUPIBSA-N 1 1 360.483 1.593 50 10 FDCAMO COc1ccc(N2C(=O)C(=CN[C@H]3CCCC[C@@H]3[NH3+])C(=O)NC2=S)cc1 ZINC000020329250 518846673 /nfs/dbraw/zinc/84/66/73/518846673.db2.gz KTZZGDULFHNKAC-CMOQBRTCSA-N 1 1 374.466 1.186 50 10 FDCAMO [NH3+][C@H]1CCCC[C@@H]1NC=C1C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O ZINC000020393243 211276554 /nfs/dbraw/zinc/27/65/54/211276554.db2.gz NDAIJSNXWHOZRD-WPTSLCKYSA-N 1 1 374.416 1.190 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=O)N(C2CCCCCC2)C1=O ZINC000001872706 210373532 /nfs/dbraw/zinc/37/35/32/210373532.db2.gz GNPWPLDRQINEAK-FYWRMAATSA-N 1 1 350.463 1.603 50 10 FDCAMO O=C([C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21)N1CCC2(CC1)[NH2+]CCNC2=O ZINC000067817285 221289474 /nfs/dbraw/zinc/28/94/74/221289474.db2.gz ZCZSDXGZFROYAV-QILLFSRXSA-N 1 1 366.465 1.221 50 10 FDCAMO COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])Cc3c[nH]cn3)CC2(C)C)cc1 ZINC000091846300 132204357 /nfs/dbraw/zinc/20/43/57/132204357.db2.gz CCEVUPCFTMCLPD-KRWDZBQOSA-N 1 1 357.458 1.416 50 10 FDCAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2cccc(O)c2O)N1)OCCCO4 ZINC000012539407 518620562 /nfs/dbraw/zinc/62/05/62/518620562.db2.gz ZDGMUFSEXJOYNT-INIZCTEOSA-N 1 1 367.365 1.705 50 10 FDCAMO O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNCC[NH+]1CCCCC1 ZINC000020023255 527047999 /nfs/dbraw/zinc/04/79/99/527047999.db2.gz DJFYQXLWVNFCCJ-ICFOKQHNSA-N 1 1 370.453 1.267 50 10 FDCAMO O=C1NC[C@@]2(CCC[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)O1 ZINC000072475821 136149207 /nfs/dbraw/zinc/14/92/07/136149207.db2.gz GNVYOBUWCUGASV-LJQANCHMSA-N 1 1 359.426 1.959 50 10 FDCAMO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(O)c(O)c2)N1)OCCCO4 ZINC000012507322 263370659 /nfs/dbraw/zinc/37/06/59/263370659.db2.gz DNGNYQZOXLZLJX-INIZCTEOSA-N 1 1 367.365 1.705 50 10 FDCAMO C[NH+](C)CCNC=C1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000002269015 670508747 /nfs/dbraw/zinc/50/87/47/670508747.db2.gz GCGXVBPQOJWMBI-XFXZXTDPSA-N 1 1 352.847 1.123 50 10 FDCAMO O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNCC[NH+]1CCCCC1 ZINC000101034105 222260743 /nfs/dbraw/zinc/26/07/43/222260743.db2.gz YGBIBLSQFAZCRL-BMRADRMJSA-N 1 1 374.485 1.915 50 10 FDCAMO COc1cccc(N2C(=O)C(=CN[C@@H]3CCCC[C@@H]3[NH3+])C(=O)NC2=S)c1 ZINC000020292063 518846853 /nfs/dbraw/zinc/84/68/53/518846853.db2.gz BSCUFYBPWHGEKW-XEZFYOOLSA-N 1 1 374.466 1.186 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000100959553 222258389 /nfs/dbraw/zinc/25/83/89/222258389.db2.gz PEAJEQFBYONXNZ-JQIJEIRASA-N 1 1 358.442 1.123 50 10 FDCAMO COc1cccc(N2C(=O)C(=CN[C@H]3CCCC[C@@H]3[NH3+])C(=O)NC2=S)c1 ZINC000019366153 518809792 /nfs/dbraw/zinc/80/97/92/518809792.db2.gz BSCUFYBPWHGEKW-CMOQBRTCSA-N 1 1 374.466 1.186 50 10 FDCAMO O=C1NC[C@]2(CCC[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)O1 ZINC000072475820 136149230 /nfs/dbraw/zinc/14/92/30/136149230.db2.gz GNVYOBUWCUGASV-IBGZPJMESA-N 1 1 359.426 1.959 50 10 FDCAMO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3cccc4nonc43)cc2)CC1 ZINC000004297048 518293389 /nfs/dbraw/zinc/29/33/89/518293389.db2.gz GMHXFRWTHBKUTI-UHFFFAOYSA-N 1 1 373.438 1.775 50 10 FDCAMO O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=CNCC[NH+]1CCCCC1 ZINC000020267389 527048585 /nfs/dbraw/zinc/04/85/85/527048585.db2.gz JYCSPTUHQKISAZ-FOWTUZBSSA-N 1 1 374.416 1.364 50 10 FDCAMO CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2[N@H+](C)C1 ZINC000053151228 221042837 /nfs/dbraw/zinc/04/28/37/221042837.db2.gz KPJZHOPZRAFDTN-ZRGWGRIASA-N 1 1 353.466 1.935 50 10 aggregator,world FDCAMO COc1ccc2ccc(O)c(C[NH+]3CCN(S(C)(=O)=O)CC3)c2c1 ZINC000024528800 518997327 /nfs/dbraw/zinc/99/73/27/518997327.db2.gz IAFHJJOGKJLLBU-UHFFFAOYSA-N 1 1 350.440 1.631 50 10 FDCAMO CC[NH+](CC)CCNC=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O ZINC000002590317 263145616 /nfs/dbraw/zinc/14/56/16/263145616.db2.gz HNZHMQRUVNHKHA-JQIJEIRASA-N 1 1 362.474 1.771 50 10 FDCAMO CCCCCCN1C(=O)NC(=O)C(=CNCC[NH+]2CCCCC2)C1=O ZINC000100793448 525216419 /nfs/dbraw/zinc/21/64/19/525216419.db2.gz VAEUSZSNRUXSTP-CCEZHUSRSA-N 1 1 350.463 1.605 50 10 FDCAMO