smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC000000717465 132229808 /nfs/dbraw/zinc/22/98/08/132229808.db2.gz IPXUFTHQKWLJBX-DLBZAZTESA-N 1 2 439.520 0.330 40 0 ICABLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)C1 ZINC000000717465 132229805 /nfs/dbraw/zinc/22/98/05/132229805.db2.gz IPXUFTHQKWLJBX-DLBZAZTESA-N 1 2 439.520 0.330 40 0 ICABLO COCC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000004147831 291312622 /nfs/dbraw/zinc/31/26/22/291312622.db2.gz CEQAPCAGMGSMMR-CWLKWCNXSA-N 1 2 427.421 0.121 40 0 biogenic,in-vitro ICABLO CCOC(=O)CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)OCc1ccccc1 ZINC000004879773 556017255 /nfs/dbraw/zinc/01/72/55/556017255.db2.gz LCPBDTUJBHIRIS-INIZCTEOSA-N 1 2 431.449 0.043 40 0 ICABLO CCOC(=O)CNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)OCc1ccccc1 ZINC000004879773 556017252 /nfs/dbraw/zinc/01/72/52/556017252.db2.gz LCPBDTUJBHIRIS-INIZCTEOSA-N 1 2 431.449 0.043 40 0 ICABLO C[N@@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)N2CCOCC2)nn1)Cc1ccccc1 ZINC000005399162 291312030 /nfs/dbraw/zinc/31/20/30/291312030.db2.gz HSMDROHGQPNNQH-UWHLTILDSA-N 1 2 442.520 0.659 40 0 biogenic,in-vitro ICABLO C[N@H+](Cc1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)N2CCOCC2)nn1)Cc1ccccc1 ZINC000005399162 291312028 /nfs/dbraw/zinc/31/20/28/291312028.db2.gz HSMDROHGQPNNQH-UWHLTILDSA-N 1 2 442.520 0.659 40 0 biogenic,in-vitro ICABLO C[N@@H+](Cc1cn(C[C@H]2O[C@@H](CC(=O)N3CCCC3)[C@H](O)[C@@H]2O)nn1)Cc1ccccc1 ZINC000008624460 291311705 /nfs/dbraw/zinc/31/17/05/291311705.db2.gz ITBBKXBGZXGDKY-YUVXSKOASA-N 1 2 429.521 0.412 40 0 biogenic,in-vitro ICABLO C[N@H+](Cc1cn(C[C@H]2O[C@@H](CC(=O)N3CCCC3)[C@H](O)[C@@H]2O)nn1)Cc1ccccc1 ZINC000008624460 291311704 /nfs/dbraw/zinc/31/17/04/291311704.db2.gz ITBBKXBGZXGDKY-YUVXSKOASA-N 1 2 429.521 0.412 40 0 biogenic,in-vitro ICABLO CCOC(=O)CNC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)OCc1ccccc1 ZINC000008637566 556195418 /nfs/dbraw/zinc/19/54/18/556195418.db2.gz LCPBDTUJBHIRIS-MRXNPFEDSA-N 1 2 431.449 0.043 40 0 ICABLO CCOC(=O)CNC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)OCc1ccccc1 ZINC000008637566 556195417 /nfs/dbraw/zinc/19/54/17/556195417.db2.gz LCPBDTUJBHIRIS-MRXNPFEDSA-N 1 2 431.449 0.043 40 0 ICABLO O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC000008854884 132296226 /nfs/dbraw/zinc/29/62/26/132296226.db2.gz IPXUFTHQKWLJBX-SJORKVTESA-N 1 2 439.520 0.330 40 0 ICABLO O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)C1 ZINC000008854884 132296223 /nfs/dbraw/zinc/29/62/23/132296223.db2.gz IPXUFTHQKWLJBX-SJORKVTESA-N 1 2 439.520 0.330 40 0 ICABLO Cc1nn(-c2nc3c(c(=O)n(CC[NH+]4CCOCC4)c(=O)n3C)n2CC(C)C)c(C)c1C ZINC000012518211 527570867 /nfs/dbraw/zinc/57/08/67/527570867.db2.gz CZSGDJILGXVZAI-UHFFFAOYSA-N 1 2 443.552 0.996 40 0 ICABLO O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)NCC[NH+]1CCOCC1 ZINC000013566685 557345471 /nfs/dbraw/zinc/34/54/71/557345471.db2.gz XXNMYOLFKWCUNE-UHFFFAOYSA-N 1 2 447.941 0.188 40 0 ICABLO Cn1nnnc1SCc1cc(=O)[nH]c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000013611325 132351784 /nfs/dbraw/zinc/35/17/84/132351784.db2.gz RMYCQMAWQMXTQL-UHFFFAOYSA-N 1 2 442.505 0.637 40 0 ICABLO O=C(NCC[NH+]1CCOCC1)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 ZINC000013624206 556704057 /nfs/dbraw/zinc/70/40/57/556704057.db2.gz AEIOHSPVNBZTSU-ITBLURSFSA-N 1 2 427.457 0.150 40 0 ICABLO O=C(NCC[NH+]1CCOCC1)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@@H]13)O2 ZINC000013624208 557379102 /nfs/dbraw/zinc/37/91/02/557379102.db2.gz AEIOHSPVNBZTSU-WGQQHEPDSA-N 1 2 427.457 0.150 40 0 ICABLO O=C(NCC[NH+]1CCOCC1)[C@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 ZINC000013624210 556536420 /nfs/dbraw/zinc/53/64/20/556536420.db2.gz AEIOHSPVNBZTSU-PGVBMLAISA-N 1 2 427.457 0.150 40 0 ICABLO O=C(NCC[NH+]1CCOCC1)[C@@H]1[C@H]2C=C[C@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2 ZINC000013624212 556536463 /nfs/dbraw/zinc/53/64/63/556536463.db2.gz AEIOHSPVNBZTSU-NSAZKJPHSA-N 1 2 427.457 0.150 40 0 ICABLO CCNC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000015671967 560230326 /nfs/dbraw/zinc/23/03/26/560230326.db2.gz KODDJMWAGHPBNC-WOJBJXKFSA-N 1 2 434.537 0.682 40 0 biogenic,in-vitro ICABLO CN1CCN(C(=O)C(Sc2nc3ccccc3[nH]c2=O)C(=O)N2CC[NH+](C)CC2)CC1 ZINC000016189044 556588473 /nfs/dbraw/zinc/58/84/73/556588473.db2.gz UMGXGMBYVHLMQP-UHFFFAOYSA-N 1 2 444.561 0.344 40 0 ICABLO CC(=O)N1CCC(C(=O)NCCc2cc(N3CCOCC3)nc(N3CCCC3)[nH+]2)CC1 ZINC000019016776 556692504 /nfs/dbraw/zinc/69/25/04/556692504.db2.gz YAJLRZNGOUOCIQ-UHFFFAOYSA-N 1 2 430.553 0.831 40 0 ICABLO CC(=O)N1Cc2cc(C)ccc2OC2(CCN(C(=O)C[NH2+][C@H]3C=CS(=O)(=O)C3)CC2)C1 ZINC000019219518 556714099 /nfs/dbraw/zinc/71/40/99/556714099.db2.gz WPLVSEZFDHLIDH-IBGZPJMESA-N 1 2 447.557 0.997 40 0 ICABLO CC(=O)N1Cc2cc(C)ccc2OC2(CCN(C(=O)C[NH2+][C@@H]3C=CS(=O)(=O)C3)CC2)C1 ZINC000019219521 556714022 /nfs/dbraw/zinc/71/40/22/556714022.db2.gz WPLVSEZFDHLIDH-LJQANCHMSA-N 1 2 447.557 0.997 40 0 ICABLO Cn1nc(-c2cccnc2)cc1C[NH+]1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000019289004 556729128 /nfs/dbraw/zinc/72/91/28/556729128.db2.gz PDCOASOVRSZSHP-UHFFFAOYSA-N 1 2 446.577 0.798 40 0 ICABLO O=C(C[C@@H]1CCS(=O)(=O)C1)NCCc1cc(N2CCOCC2)nc(N2CCCC2)[nH+]1 ZINC000019291954 556731708 /nfs/dbraw/zinc/73/17/08/556731708.db2.gz ACLFGZNQPASWDM-INIZCTEOSA-N 1 2 437.566 0.397 40 0 ICABLO O=C(C[C@H]1CCS(=O)(=O)C1)NCCc1cc(N2CCOCC2)nc(N2CCCC2)[nH+]1 ZINC000019291955 556731835 /nfs/dbraw/zinc/73/18/35/556731835.db2.gz ACLFGZNQPASWDM-MRXNPFEDSA-N 1 2 437.566 0.397 40 0 ICABLO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[NH+]3CCC(O)CC3)[C@]12C ZINC000019450038 556760872 /nfs/dbraw/zinc/76/08/72/556760872.db2.gz LOMWNRNUWPSJGQ-YCRNBWNJSA-N 1 2 441.532 0.693 40 0 ICABLO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@H+]3CCC[C@@H](O)C3)[C@]12C ZINC000019450041 556760759 /nfs/dbraw/zinc/76/07/59/556760759.db2.gz DAWQAFWGMVULDM-KBHIOQAXSA-N 1 2 441.532 0.693 40 0 ICABLO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@@H+]3CCC[C@@H](O)C3)[C@]12C ZINC000019450041 556760756 /nfs/dbraw/zinc/76/07/56/556760756.db2.gz DAWQAFWGMVULDM-KBHIOQAXSA-N 1 2 441.532 0.693 40 0 ICABLO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@H+]3CCC[C@H](O)C3)[C@]12C ZINC000019450043 556760704 /nfs/dbraw/zinc/76/07/04/556760704.db2.gz DAWQAFWGMVULDM-GFBHRSBTSA-N 1 2 441.532 0.693 40 0 ICABLO CC(C)NC(=O)[C@@H]1[C@@H]2C(=O)NN=C(c3ccccc3NC(=O)C[N@@H+]3CCC[C@H](O)C3)[C@]12C ZINC000019450043 556760702 /nfs/dbraw/zinc/76/07/02/556760702.db2.gz DAWQAFWGMVULDM-GFBHRSBTSA-N 1 2 441.532 0.693 40 0 ICABLO CNc1nc([C@@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710576 556874097 /nfs/dbraw/zinc/87/40/97/556874097.db2.gz CDKCAWHXOBFDDD-MRXNPFEDSA-N 1 2 430.553 0.851 40 0 ICABLO CNc1nc([C@@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)nc2c1C[N@H+](C)CC2 ZINC000019710576 556874093 /nfs/dbraw/zinc/87/40/93/556874093.db2.gz CDKCAWHXOBFDDD-MRXNPFEDSA-N 1 2 430.553 0.851 40 0 ICABLO CNc1nc([C@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710577 556874078 /nfs/dbraw/zinc/87/40/78/556874078.db2.gz CDKCAWHXOBFDDD-INIZCTEOSA-N 1 2 430.553 0.851 40 0 ICABLO CNc1nc([C@H]2CCCN(C(=O)COCCN3CCCC3=O)C2)nc2c1C[N@H+](C)CC2 ZINC000019710577 556874075 /nfs/dbraw/zinc/87/40/75/556874075.db2.gz CDKCAWHXOBFDDD-INIZCTEOSA-N 1 2 430.553 0.851 40 0 ICABLO O=C(COc1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)N1CCCC1 ZINC000019831340 556926501 /nfs/dbraw/zinc/92/65/01/556926501.db2.gz DHTPTJVLNVFGFL-SFHVURJKSA-N 1 2 444.532 0.489 40 0 ICABLO O=C(COc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCOCC3)CC2=O)cc1)N1CCCC1 ZINC000019831342 556926462 /nfs/dbraw/zinc/92/64/62/556926462.db2.gz DHTPTJVLNVFGFL-GOSISDBHSA-N 1 2 444.532 0.489 40 0 ICABLO O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)NCC[NH+]1CCOCC1 ZINC000019935506 556950695 /nfs/dbraw/zinc/95/06/95/556950695.db2.gz WVIBBSSWZMYBME-UHFFFAOYSA-N 1 2 431.942 0.952 40 0 ICABLO COCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019940476 557510547 /nfs/dbraw/zinc/51/05/47/557510547.db2.gz PVYVBSCLEAFUSE-UHFFFAOYSA-N 1 2 448.545 0.912 40 0 ICABLO COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c1 ZINC000019974083 556956708 /nfs/dbraw/zinc/95/67/08/556956708.db2.gz ZIUPWUURQNEIPJ-GFCCVEGCSA-N 1 2 428.449 0.977 40 0 ICABLO COc1ccc(OC)c(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)c1 ZINC000019974084 556956723 /nfs/dbraw/zinc/95/67/23/556956723.db2.gz ZIUPWUURQNEIPJ-LBPRGKRZSA-N 1 2 428.449 0.977 40 0 ICABLO COC(=O)C1CC[NH+]([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NC(=O)Nc3ccc(OC)cc3)[C@@H]2O)CC1 ZINC000020463611 522922698 /nfs/dbraw/zinc/92/26/98/522922698.db2.gz FNHNNPZRGQGTMD-YFYQMDMQSA-N 1 2 435.477 0.555 40 0 biogenic,in-vitro ICABLO COC(=O)C1CC[NH+]([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NC(=O)Nc3cccc(OC)c3)[C@@H]2O)CC1 ZINC000020463642 522921727 /nfs/dbraw/zinc/92/17/27/522921727.db2.gz OPNIIQUGUXMLQR-YFYQMDMQSA-N 1 2 435.477 0.555 40 0 biogenic,in-vitro ICABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1[NH+]1CCOCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000020464813 526629529 /nfs/dbraw/zinc/62/95/29/526629529.db2.gz DBQLRVAQMZALQL-QKPAOTATSA-N 1 2 435.399 0.528 40 0 biogenic,in-vitro ICABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCOCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000020464815 526629542 /nfs/dbraw/zinc/62/95/42/526629542.db2.gz DBQLRVAQMZALQL-FXUDXRNXSA-N 1 2 435.399 0.528 40 0 biogenic,in-vitro ICABLO O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000020464844 527229560 /nfs/dbraw/zinc/22/95/60/527229560.db2.gz IEBBRWWUQQELMM-CLAROIROSA-N 1 2 447.557 0.276 40 0 biogenic,in-vitro ICABLO COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@H+]2CCc3ccccc3C2)cc1 ZINC000020465225 525065412 /nfs/dbraw/zinc/06/54/12/525065412.db2.gz CYHRNRNMXUXDSC-CLAROIROSA-N 1 2 448.541 0.521 40 0 biogenic,in-vitro ICABLO COc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020465225 525065401 /nfs/dbraw/zinc/06/54/01/525065401.db2.gz CYHRNRNMXUXDSC-CLAROIROSA-N 1 2 448.541 0.521 40 0 biogenic,in-vitro ICABLO O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000020465228 527229664 /nfs/dbraw/zinc/22/96/64/527229664.db2.gz WAXOQDXBHVNOMP-IVAOSVALSA-N 1 2 436.505 0.652 40 0 biogenic,in-vitro ICABLO O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000020465228 527229659 /nfs/dbraw/zinc/22/96/59/527229659.db2.gz WAXOQDXBHVNOMP-IVAOSVALSA-N 1 2 436.505 0.652 40 0 biogenic,in-vitro ICABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccc(F)cc2)CC1)c1cccs1 ZINC000020465354 526629855 /nfs/dbraw/zinc/62/98/55/526629855.db2.gz AMJOKMRRAJOIKL-LCLWPZTBSA-N 1 2 435.521 0.928 40 0 biogenic,in-vitro ICABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccccc1 ZINC000020465357 526629631 /nfs/dbraw/zinc/62/96/31/526629631.db2.gz XYAMOWYNCQZMBN-CLAROIROSA-N 1 2 429.492 0.867 40 0 biogenic,in-vitro ICABLO COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000020465429 522765232 /nfs/dbraw/zinc/76/52/32/522765232.db2.gz KSTABAKRQOAFPH-KCITZHQASA-N 1 2 447.454 0.079 40 0 biogenic,in-vitro ICABLO COc1ccccc1N1CC[NH+]([C@H]2[C@@H](CNC(=O)C3CCCC3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465499 524562804 /nfs/dbraw/zinc/56/28/04/524562804.db2.gz GDIZJDJKOYNDEC-CLAROIROSA-N 1 2 433.549 0.613 40 0 biogenic,in-vitro ICABLO COc1ccccc1N1CC[NH+]([C@H]2[C@@H](CNC(=O)c3ccco3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465505 524561533 /nfs/dbraw/zinc/56/15/33/524561533.db2.gz MEXFQKMIIQUGFA-IVAOSVALSA-N 1 2 431.489 0.329 40 0 biogenic,in-vitro ICABLO COc1ccccc1N1CC[NH+]([C@H]2[C@@H](CNC(=O)c3cccs3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465508 524562416 /nfs/dbraw/zinc/56/24/16/524562416.db2.gz IYUJPEXSBUPJCH-YXYSEUPNSA-N 1 2 447.557 0.798 40 0 biogenic,in-vitro ICABLO COc1ccccc1N1CC[NH+]([C@H]2[C@@H](CNC(=O)c3ccccc3)O[C@@H](CO)[C@H]2O)CC1 ZINC000020465512 524561874 /nfs/dbraw/zinc/56/18/74/524561874.db2.gz XBLWIMHMKOTTQF-WZYRSQIMSA-N 1 2 441.528 0.736 40 0 biogenic,in-vitro ICABLO COc1ccc(C(=O)NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000020465610 523709748 /nfs/dbraw/zinc/70/97/48/523709748.db2.gz YDCIVLGBEYIGBY-XMGTWHOFSA-N 1 2 442.516 0.131 40 0 biogenic,in-vitro ICABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccccn2)CC1)Nc1ccsc1 ZINC000020465636 526629681 /nfs/dbraw/zinc/62/96/81/526629681.db2.gz BEGORJQVYXMXFQ-KCITZHQASA-N 1 2 433.534 0.576 40 0 biogenic,in-vitro ICABLO O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCN(c2ccccn2)CC1)Nc1ccccc1 ZINC000020465639 526629708 /nfs/dbraw/zinc/62/97/08/526629708.db2.gz CRDBZYXKKHVWBS-YXYSEUPNSA-N 1 2 427.505 0.515 40 0 biogenic,in-vitro ICABLO CC(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000020800001 557018469 /nfs/dbraw/zinc/01/84/69/557018469.db2.gz RMQLUABGZTZWLW-CQSZACIVSA-N 1 2 425.449 0.918 40 0 ICABLO CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCOCC4)nc(N)c32)cc1 ZINC000020800006 557018486 /nfs/dbraw/zinc/01/84/86/557018486.db2.gz RMQLUABGZTZWLW-AWEZNQCLSA-N 1 2 425.449 0.918 40 0 ICABLO O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCOCC1)NCC[NH+]1CCOCC1 ZINC000022250413 526955457 /nfs/dbraw/zinc/95/54/57/526955457.db2.gz DVDQNJQPQXQZBE-UHFFFAOYSA-N 1 2 447.941 0.188 40 0 ICABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000022311095 523914249 /nfs/dbraw/zinc/91/42/49/523914249.db2.gz UKAGFTGDQVVBQN-UHFFFAOYSA-N 1 2 444.579 0.233 40 0 ICABLO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+]3CCOCC3)CC2)cc1 ZINC000023981085 569241893 /nfs/dbraw/zinc/24/18/93/569241893.db2.gz VJLNBHCWNLQOFM-UHFFFAOYSA-N 1 2 425.551 0.934 40 0 ICABLO COc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)NCC[NH+]2CCOCC2)cc1C ZINC000028210231 569242917 /nfs/dbraw/zinc/24/29/17/569242917.db2.gz IGYSUJXFGABOIJ-MRXNPFEDSA-N 1 2 425.507 0.132 40 0 ICABLO COc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)NCC[NH+]2CCOCC2)cc1C ZINC000028210234 569242948 /nfs/dbraw/zinc/24/29/48/569242948.db2.gz IGYSUJXFGABOIJ-INIZCTEOSA-N 1 2 425.507 0.132 40 0 ICABLO CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000030865100 556511997 /nfs/dbraw/zinc/51/19/97/556511997.db2.gz KKYQLNRDAFFNLO-QGZVFWFLSA-N 1 2 438.550 0.578 40 0 ICABLO CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000030865108 556511988 /nfs/dbraw/zinc/51/19/88/556511988.db2.gz KKYQLNRDAFFNLO-KRWDZBQOSA-N 1 2 438.550 0.578 40 0 ICABLO CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)NCC[NH+]1CCOCC1)O2 ZINC000030944435 556516989 /nfs/dbraw/zinc/51/69/89/556516989.db2.gz OHGDULBJQVGXEM-GOSISDBHSA-N 1 2 425.551 0.960 40 0 ICABLO CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)NCC[NH+]1CCOCC1)O2 ZINC000030944438 556516959 /nfs/dbraw/zinc/51/69/59/556516959.db2.gz OHGDULBJQVGXEM-SFHVURJKSA-N 1 2 425.551 0.960 40 0 ICABLO O=C(NCC[NH+]1CCOCC1)Nc1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000031771931 556526206 /nfs/dbraw/zinc/52/62/06/556526206.db2.gz FOHIMNSCQPDOOQ-UHFFFAOYSA-N 1 2 439.509 0.961 40 0 ICABLO Cc1nc2ccccc2nc1SC(C(=O)N1CCN(C)CC1)C(=O)N1CC[NH+](C)CC1 ZINC000033362659 556563110 /nfs/dbraw/zinc/56/31/10/556563110.db2.gz XALZLMGADYRQQK-UHFFFAOYSA-N 1 2 442.589 0.947 40 0 ICABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000036723890 523914202 /nfs/dbraw/zinc/91/42/02/523914202.db2.gz IDBLYTTXYLCJCN-OAHLLOKOSA-N 1 2 444.579 0.233 40 0 ICABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000036723892 523915425 /nfs/dbraw/zinc/91/54/25/523915425.db2.gz IDBLYTTXYLCJCN-HNNXBMFYSA-N 1 2 444.579 0.233 40 0 ICABLO CCN(CC(=O)NCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000039986025 556632442 /nfs/dbraw/zinc/63/24/42/556632442.db2.gz IJOAZRSEBKORIG-UHFFFAOYSA-N 1 2 434.356 0.908 40 0 ICABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCCO)Cc1nnnn1C[C@@H]1CCCO1)OCO3 ZINC000057642776 556748340 /nfs/dbraw/zinc/74/83/40/556748340.db2.gz NJLOUKKWZXETGL-INIZCTEOSA-N 1 2 442.476 0.807 40 0 ICABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCCO)Cc1nnnn1C[C@@H]1CCCO1)OCO3 ZINC000057642776 556748336 /nfs/dbraw/zinc/74/83/36/556748336.db2.gz NJLOUKKWZXETGL-INIZCTEOSA-N 1 2 442.476 0.807 40 0 ICABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCCO)Cc1nnnn1C[C@H]1CCCO1)OCO3 ZINC000057642780 556748448 /nfs/dbraw/zinc/74/84/48/556748448.db2.gz NJLOUKKWZXETGL-MRXNPFEDSA-N 1 2 442.476 0.807 40 0 ICABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCCO)Cc1nnnn1C[C@H]1CCCO1)OCO3 ZINC000057642780 556748442 /nfs/dbraw/zinc/74/84/42/556748442.db2.gz NJLOUKKWZXETGL-MRXNPFEDSA-N 1 2 442.476 0.807 40 0 ICABLO COc1ccc(C(=O)N[C@@H]2[C@@H](c3ccc(N4CCOCC4)[nH+]c3)C[C@@H](O)[C@H]2O)cc1OC ZINC000072321835 291314163 /nfs/dbraw/zinc/31/41/63/291314163.db2.gz JPTRDOSQBCNJNL-XWOARTFESA-N 1 2 443.500 0.943 40 0 biogenic,in-vitro ICABLO COc1ccc(CC(=O)N[C@@H]2[C@@H](c3ccc(N4CCOCC4)[nH+]c3)C[C@@H](O)[C@H]2O)cc1 ZINC000072321839 291314153 /nfs/dbraw/zinc/31/41/53/291314153.db2.gz YZDLKHYSIFHQQM-DAVBRLECSA-N 1 2 427.501 0.863 40 0 biogenic,in-vitro ICABLO CS(=O)(=O)c1cnc(N2CCOCC2)nc1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000072335929 525281776 /nfs/dbraw/zinc/28/17/76/525281776.db2.gz SQCTVEXYJZOTIJ-UHFFFAOYSA-N 1 2 437.566 0.519 40 0 ICABLO NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)C[NH2+][C@H]2C=CS(=O)(=O)C2)CC1 ZINC000072397038 556970035 /nfs/dbraw/zinc/97/00/35/556970035.db2.gz ONZXYHNROGGRNS-INIZCTEOSA-N 1 2 428.514 0.940 40 0 ICABLO NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)C[NH2+][C@@H]2C=CS(=O)(=O)C2)CC1 ZINC000072397039 556970033 /nfs/dbraw/zinc/97/00/33/556970033.db2.gz ONZXYHNROGGRNS-MRXNPFEDSA-N 1 2 428.514 0.940 40 0 ICABLO O=C(N[C@@H]1[C@@H](c2ccc(N3CCOCC3)[nH+]c2)C[C@@H](O)[C@H]1O)c1ccc2c(c1)OCCO2 ZINC000077261848 291316726 /nfs/dbraw/zinc/31/67/26/291316726.db2.gz INCZUIHOLOJHRU-XWOARTFESA-N 1 2 441.484 0.697 40 0 biogenic,in-vitro ICABLO CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc1O)[nH]c2=O ZINC000077286795 556998455 /nfs/dbraw/zinc/99/84/55/556998455.db2.gz LTNJUPYNXDNXBO-UHFFFAOYSA-N 1 2 446.533 0.918 40 0 in-vitro ICABLO CCN1C(=O)[C@@H]2[C@H]([NH+]=C1N1CCN(CC(=O)Nc3ccc(F)cc3)CC1)C(C)=NN2C ZINC000082086848 557058197 /nfs/dbraw/zinc/05/81/97/557058197.db2.gz AVMRHSGXGOZUMS-MOPGFXCFSA-N 1 2 429.500 0.658 40 0 ICABLO CCN1C(=O)[C@H]2[C@H]([NH+]=C1N1CCN(CC(=O)Nc3ccc(F)cc3)CC1)C(C)=NN2C ZINC000082086850 557058133 /nfs/dbraw/zinc/05/81/33/557058133.db2.gz AVMRHSGXGOZUMS-RTBURBONSA-N 1 2 429.500 0.658 40 0 ICABLO CCN1C(=O)[C@@H]2[C@@H]([NH+]=C1N1CCN(CC(=O)Nc3ccc(F)cc3)CC1)C(C)=NN2C ZINC000082086852 557058187 /nfs/dbraw/zinc/05/81/87/557058187.db2.gz AVMRHSGXGOZUMS-OALUTQOASA-N 1 2 429.500 0.658 40 0 ICABLO CCN1C(=O)[C@H]2[C@@H]([NH+]=C1N1CCN(CC(=O)Nc3ccc(F)cc3)CC1)C(C)=NN2C ZINC000082086855 557058219 /nfs/dbraw/zinc/05/82/19/557058219.db2.gz AVMRHSGXGOZUMS-RBUKOAKNSA-N 1 2 429.500 0.658 40 0 ICABLO COC(=O)CN1CC2(CC[NH+](CC(=O)OC)CC2)COc2ccccc2S1(=O)=O ZINC000096145224 557174352 /nfs/dbraw/zinc/17/43/52/557174352.db2.gz PFBZISLSRBNQRQ-UHFFFAOYSA-N 1 2 426.491 0.498 40 0 ICABLO CN(C)C(=O)N1CCN(c2ccc3ccc(C(=O)NCC[NH+]4CCOCC4)cn32)CC1 ZINC000096156045 557180948 /nfs/dbraw/zinc/18/09/48/557180948.db2.gz DVXQOAYGRWSOPD-UHFFFAOYSA-N 1 2 428.537 0.805 40 0 ICABLO CC(C)NC(=O)N1CC[C@H](c2nnc3ccc(C(=O)NCC[NH+]4CCOCC4)cn32)C1 ZINC000096156219 557180909 /nfs/dbraw/zinc/18/09/09/557180909.db2.gz NQDYSECRVLIPAQ-INIZCTEOSA-N 1 2 429.525 0.699 40 0 ICABLO CC(C)NC(=O)N1CC[C@@H](c2nnc3ccc(C(=O)NCC[NH+]4CCOCC4)cn32)C1 ZINC000096156220 557181166 /nfs/dbraw/zinc/18/11/66/557181166.db2.gz NQDYSECRVLIPAQ-MRXNPFEDSA-N 1 2 429.525 0.699 40 0 ICABLO O=C(N1CCOCC1)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(S(=O)(=O)C1CC1)CCC2 ZINC000096251495 557188962 /nfs/dbraw/zinc/18/89/62/557188962.db2.gz QVDSYCPMKMKEGE-UTKZUKDTSA-N 1 2 434.562 0.951 40 0 ICABLO C[NH+]1CCN(c2ncc3c(n2)[C@H]2CN(C(=O)c4ccccc4)C[C@H]2S(=O)(=O)C3)CC1 ZINC000096252042 557189242 /nfs/dbraw/zinc/18/92/42/557189242.db2.gz FZNNIRQAYDFFGL-ZWKOTPCHSA-N 1 2 427.530 0.765 40 0 ICABLO CNC(=O)CN1CC2(CC[NH+](CC(=O)OC)CC2)COc2ccccc2S1(=O)=O ZINC000096263577 557191383 /nfs/dbraw/zinc/19/13/83/557191383.db2.gz ZPQVMPGSXRJFTC-UHFFFAOYSA-N 1 2 425.507 0.071 40 0 ICABLO Cn1c2nc3n(c2c(=O)n(C)c1=O)CCN3c1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000096306618 557196018 /nfs/dbraw/zinc/19/60/18/557196018.db2.gz RDTLEOARRFLZEK-UHFFFAOYSA-N 1 2 426.477 0.296 40 0 ICABLO O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000101439209 568836292 /nfs/dbraw/zinc/83/62/92/568836292.db2.gz UYNZRICXTSUPRN-PUZFROQSSA-N 1 2 430.549 0.787 40 0 ICABLO COc1cc(N(CC(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)c(OC)cc1Cl ZINC000220057273 557279474 /nfs/dbraw/zinc/27/94/74/557279474.db2.gz HNXMGFMUTJLRCD-UHFFFAOYSA-N 1 2 435.930 0.572 40 0 ICABLO CS(=O)(=O)N(CCCC(=O)NCC[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000222673116 557371960 /nfs/dbraw/zinc/37/19/60/557371960.db2.gz BZXFWEHTYXUJPP-UHFFFAOYSA-N 1 2 427.523 0.452 40 0 ICABLO CN(C)c1nc(N2CCOCC2)[nH+]cc1NC(=O)COc1ccc(-n2cccn2)nn1 ZINC000224361269 568923522 /nfs/dbraw/zinc/92/35/22/568923522.db2.gz UCVJNFKYULNDTK-UHFFFAOYSA-N 1 2 425.453 0.372 40 0 ICABLO Cn1cc[nH+]c1CNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NCc3ccccc3)[C@@H](O)[C@H]2O1 ZINC000225379865 291315806 /nfs/dbraw/zinc/31/58/06/291315806.db2.gz SPOMIPBKEKOPNU-RMEVAOCFSA-N 1 2 443.504 0.212 40 0 biogenic,in-vitro ICABLO COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000225383354 291312001 /nfs/dbraw/zinc/31/20/01/291312001.db2.gz FYXWABNQOINAPI-CABCVRRESA-N 1 2 441.406 0.237 40 0 biogenic,in-vitro ICABLO O=C1CCCN1CCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3)C2)C1=O ZINC000225393124 291317349 /nfs/dbraw/zinc/31/73/49/291317349.db2.gz VFTQUWKDODTZRL-MOPGFXCFSA-N 1 2 426.517 0.058 40 0 biogenic,in-vitro ICABLO O=C1CCCN1CCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3F)C2)C1=O ZINC000225393724 291317367 /nfs/dbraw/zinc/31/73/67/291317367.db2.gz APIHYZAWZYBGNH-MJGOQNOKSA-N 1 2 444.507 0.197 40 0 biogenic,in-vitro ICABLO O=C1CCCN1CCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccc(F)c3)C2)C1=O ZINC000225393792 291317374 /nfs/dbraw/zinc/31/73/74/291317374.db2.gz NQARSHIOKLVOIO-MOPGFXCFSA-N 1 2 444.507 0.197 40 0 biogenic,in-vitro ICABLO O=C1CCCN1CCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccc(F)cc3)C2)C1=O ZINC000225393862 291317382 /nfs/dbraw/zinc/31/73/82/291317382.db2.gz YAFCMZZXLSTJKH-MOPGFXCFSA-N 1 2 444.507 0.197 40 0 biogenic,in-vitro ICABLO O=C1CCCN1CCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccs3)C2)C1=O ZINC000225394613 291317358 /nfs/dbraw/zinc/31/73/58/291317358.db2.gz YXIONQDYAKWLDG-WBVHZDCISA-N 1 2 432.546 0.119 40 0 biogenic,in-vitro ICABLO C[NH+](C)Cc1cn(C[C@H]2C[C@@H](NC(=O)Nc3ccc4c(c3)OCCO4)[C@H](O)[C@@H]2O)nn1 ZINC000225510519 291311731 /nfs/dbraw/zinc/31/17/31/291311731.db2.gz RYVULWBHIBMEQI-SNTIZLKRSA-N 1 2 432.481 0.043 40 0 biogenic,in-vitro ICABLO Cn1cc[nH+]c1CNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)Nc3ccc(F)cc3)[C@@H](O)[C@H]2O1 ZINC000225520787 291315808 /nfs/dbraw/zinc/31/58/08/291315808.db2.gz NOBMXNWKYWTMTL-AFJOWOCMSA-N 1 2 447.467 0.673 40 0 biogenic,in-vitro ICABLO Cn1cc[nH+]c1CNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NC3CCCCC3)[C@@H](O)[C@H]2O1 ZINC000225520880 291315810 /nfs/dbraw/zinc/31/58/10/291315810.db2.gz FRSPTPBCLDNCAM-AFJOWOCMSA-N 1 2 435.525 0.344 40 0 biogenic,in-vitro ICABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(N2CCCCC2)cc(N2CCOCC2)n1 ZINC000225903380 557789591 /nfs/dbraw/zinc/78/95/91/557789591.db2.gz WZVWUCZCVWZDSN-UHFFFAOYSA-N 1 2 435.598 0.922 40 0 ICABLO Cc1nn(C)c(C)c1S(=O)(=O)N1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000248068382 568633905 /nfs/dbraw/zinc/63/39/05/568633905.db2.gz WQVIPKLWFZBWAU-IEBWSBKVSA-N 1 2 428.555 0.308 40 0 ICABLO O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[NH2+]CC3=O)CC1 ZINC000253398093 569264700 /nfs/dbraw/zinc/26/47/00/569264700.db2.gz GMVFBXORYHRSRC-CMRHPGMDSA-N 1 2 440.544 0.880 40 0 ICABLO CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@H+](C)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253400247 569264881 /nfs/dbraw/zinc/26/48/81/569264881.db2.gz KXEJQWGQIKPBFW-GZMOKQHVSA-N 1 2 444.532 0.394 40 0 ICABLO CC(=O)N[C@@H]1CC[C@H]2CCOc3ccccc3C(=O)N3CC[N@@H+](C)C[C@H]3C(=O)NC[C@H]1O2 ZINC000253400247 569264879 /nfs/dbraw/zinc/26/48/79/569264879.db2.gz KXEJQWGQIKPBFW-GZMOKQHVSA-N 1 2 444.532 0.394 40 0 ICABLO Cc1cccc2c(C)cc(=O)n(CC(=O)N3CC[C@@H](O)[C@@H](O)[C@H]([NH+]4CCOCC4)C3)c12 ZINC000257199954 568665172 /nfs/dbraw/zinc/66/51/72/568665172.db2.gz ABKNGTMAOUGTGT-PWHSHALESA-N 1 2 429.517 0.273 40 0 ICABLO O=C(c1ccc2[nH]c(C(F)(F)F)nc2c1)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257206205 568667961 /nfs/dbraw/zinc/66/79/61/568667961.db2.gz BCIMIMFAOYKKOB-OAGGEKHMSA-N 1 2 428.411 0.850 40 0 ICABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@]12CCCO2 ZINC000257215583 568672332 /nfs/dbraw/zinc/67/23/32/568672332.db2.gz CQSSMWKYTNNJTQ-UYAOXDASSA-N 1 2 439.534 0.526 40 0 ICABLO CO[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C[C@]12CCCO2 ZINC000257215583 568672330 /nfs/dbraw/zinc/67/23/30/568672330.db2.gz CQSSMWKYTNNJTQ-UYAOXDASSA-N 1 2 439.534 0.526 40 0 ICABLO Cc1c(C(=O)N2CC[C@@H](O)[C@@H](O)[C@H]([NH+]3CCOCC3)C2)nnn1-c1ccc(Cl)cc1 ZINC000257227822 568677927 /nfs/dbraw/zinc/67/79/27/568677927.db2.gz FRBYCOIMPTUZBT-LMMKCTJWSA-N 1 2 435.912 0.498 40 0 ICABLO Cc1[nH+]c2cc(NC(=O)CN3CC[C@@]4(CCCN4S(C)(=O)=O)[C@@H](O)C3)ccc2n1C ZINC000257229694 568678734 /nfs/dbraw/zinc/67/87/34/568678734.db2.gz FZEHVJMYDFIRPH-ICSRJNTNSA-N 1 2 435.550 0.681 40 0 ICABLO CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](O)[C@@H](n2cnc3c2nc(N)nc3N)C1 ZINC000257232382 568680069 /nfs/dbraw/zinc/68/00/69/568680069.db2.gz GKRCVJSBCHFEFC-HOTGVXAUSA-N 1 2 449.519 0.983 40 0 ICABLO COc1ccc(-c2cc(C(=O)N3CC[C@@H](O)[C@@H](O)[C@H]([NH+]4CCOCC4)C3)nn2C)cc1 ZINC000257232394 568680146 /nfs/dbraw/zinc/68/01/46/568680146.db2.gz GKSCFCRNQGIMKP-NJYVYQBISA-N 1 2 430.505 0.364 40 0 ICABLO CN1CCN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H](O)[C@@H](n4cc[nH+]c4)CC3)cc2)CC1 ZINC000257234875 568681342 /nfs/dbraw/zinc/68/13/42/568681342.db2.gz GVKUXIUBASDDAK-PMACEKPBSA-N 1 2 447.561 0.657 40 0 ICABLO CN(C(=O)COCc1nc2ccccc2n1C)[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257239174 568683545 /nfs/dbraw/zinc/68/35/45/568683545.db2.gz HOFIESWPAMLXPC-JBYIUTFZSA-N 1 2 429.521 0.262 40 0 ICABLO CN(C(=O)COCc1nc2ccccc2n1C)[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257239174 568683543 /nfs/dbraw/zinc/68/35/43/568683543.db2.gz HOFIESWPAMLXPC-JBYIUTFZSA-N 1 2 429.521 0.262 40 0 ICABLO COCCn1cnc2cc(C(=O)N(C)[C@@H]3CCC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257244352 568685834 /nfs/dbraw/zinc/68/58/34/568685834.db2.gz IKYDYTPWRSRROX-SFHLNBCPSA-N 1 2 429.521 0.469 40 0 ICABLO COCCn1cnc2cc(C(=O)N(C)[C@@H]3CCC[C@@H]([N@@H+]4CCNC(=O)C4)[C@@H]3O)ccc21 ZINC000257244352 568685832 /nfs/dbraw/zinc/68/58/32/568685832.db2.gz IKYDYTPWRSRROX-SFHLNBCPSA-N 1 2 429.521 0.469 40 0 ICABLO O=C(C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000257248307 568687651 /nfs/dbraw/zinc/68/76/51/568687651.db2.gz JDBAGQXAEWTCID-ICSRJNTNSA-N 1 2 439.534 0.262 40 0 ICABLO O=C(C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000257248307 568687650 /nfs/dbraw/zinc/68/76/50/568687650.db2.gz JDBAGQXAEWTCID-ICSRJNTNSA-N 1 2 439.534 0.262 40 0 ICABLO CCOc1ccc(-c2cc(C(=O)N3CC[C@@H](O)[C@@H](O)[C@H]([NH+]4CCOCC4)C3)[nH]n2)cc1 ZINC000257256870 556712321 /nfs/dbraw/zinc/71/23/21/556712321.db2.gz KNGBRWMBPLFHIO-NJYVYQBISA-N 1 2 430.505 0.744 40 0 ICABLO Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](O)C[C@](C)(O)[C@@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000257262405 568694415 /nfs/dbraw/zinc/69/44/15/568694415.db2.gz LLGNVCQSGYFIBU-QRFQSNJMSA-N 1 2 441.488 0.501 40 0 ICABLO O=C(Cn1c2ccccc2nc1C(F)(F)F)N1CC[C@@H](O)[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257263790 568694958 /nfs/dbraw/zinc/69/49/58/568694958.db2.gz LRMMFMGGRUYTRA-NUJGCVRESA-N 1 2 442.438 0.710 40 0 ICABLO CCCc1[nH+]c2ccccc2n1CC(=O)N1C[C@H](O)[C@@H](n2cnc3c2nc(N)nc3N)C1 ZINC000257275701 568700392 /nfs/dbraw/zinc/70/03/92/568700392.db2.gz NQNBPKVVNSOWEM-GJZGRUSLSA-N 1 2 435.492 0.737 40 0 ICABLO CN(C(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257285542 568704693 /nfs/dbraw/zinc/70/46/93/568704693.db2.gz PHQYVBGTPAFZCH-IIAWOOMASA-N 1 2 425.411 0.977 40 0 ICABLO CN(C(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257285542 568704689 /nfs/dbraw/zinc/70/46/89/568704689.db2.gz PHQYVBGTPAFZCH-IIAWOOMASA-N 1 2 425.411 0.977 40 0 ICABLO Cc1cc2[nH]c(CCC(=O)N3C[C@H](O)[C@@H](n4cnc5c4nc(N)nc5N)C3)[nH+]c2cc1C ZINC000257289097 568706267 /nfs/dbraw/zinc/70/62/67/568706267.db2.gz PWZABAZWHYKDSD-GJZGRUSLSA-N 1 2 435.492 0.861 40 0 ICABLO CN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257291520 568707435 /nfs/dbraw/zinc/70/74/35/568707435.db2.gz QHIWXRUGSOCKLO-CBGDNZLLSA-N 1 2 433.940 0.941 40 0 ICABLO CN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257291520 568707434 /nfs/dbraw/zinc/70/74/34/568707434.db2.gz QHIWXRUGSOCKLO-CBGDNZLLSA-N 1 2 433.940 0.941 40 0 ICABLO CC(=O)N1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2ccnn2C)CC1 ZINC000257292459 568707796 /nfs/dbraw/zinc/70/77/96/568707796.db2.gz QLNYPOXZBKAHPX-PBASOCQRSA-N 1 2 427.505 0.263 40 0 ICABLO Cc1cc2[nH+]c(CCC(=O)N3C[C@H](O)[C@@H](n4cnc5c4nc(N)nc5N)C3)[nH]c2c(C)c1 ZINC000257298305 568710580 /nfs/dbraw/zinc/71/05/80/568710580.db2.gz RLDFBVCTMTYLOD-KBPBESRZSA-N 1 2 435.492 0.861 40 0 ICABLO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1C[C@H](O)[C@@H](n2cnc3c2nc(N)nc3N)C1 ZINC000257298397 568710520 /nfs/dbraw/zinc/71/05/20/568710520.db2.gz RLLKTLIBHOKXTN-GJZGRUSLSA-N 1 2 435.492 0.908 40 0 ICABLO CN(C(=O)c1cc(COc2ccccc2F)on1)[C@@H]1CC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257299041 568710903 /nfs/dbraw/zinc/71/09/03/568710903.db2.gz ROLNRINUOMOAPU-MBOZVWFJSA-N 1 2 432.452 0.788 40 0 ICABLO CN(C(=O)c1cc(COc2ccccc2F)on1)[C@@H]1CC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O ZINC000257299041 568710900 /nfs/dbraw/zinc/71/09/00/568710900.db2.gz ROLNRINUOMOAPU-MBOZVWFJSA-N 1 2 432.452 0.788 40 0 ICABLO Cn1c(CCC(=O)N[C@@H]2CCC[C@@H]([N@H+]3CCNC(=O)C3)[C@@H]2O)nc2cc(Cl)ccc21 ZINC000257301800 568712230 /nfs/dbraw/zinc/71/22/30/568712230.db2.gz RZYCXUUQXHEHPI-SOIKWTOOSA-N 1 2 433.940 0.989 40 0 ICABLO Cn1c(CCC(=O)N[C@@H]2CCC[C@@H]([N@@H+]3CCNC(=O)C3)[C@@H]2O)nc2cc(Cl)ccc21 ZINC000257301800 568712229 /nfs/dbraw/zinc/71/22/29/568712229.db2.gz RZYCXUUQXHEHPI-SOIKWTOOSA-N 1 2 433.940 0.989 40 0 ICABLO CC(=O)N1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2cnn(C)c2)CC1 ZINC000257311972 568716238 /nfs/dbraw/zinc/71/62/38/568716238.db2.gz ULVULBQXEQHFOH-CGXNFDGLSA-N 1 2 427.505 0.263 40 0 ICABLO Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCCN(C(=O)CCNC(=O)c2cncc(O)c2)CC1 ZINC000257312485 568716508 /nfs/dbraw/zinc/71/65/08/568716508.db2.gz UODSCDQSYJDPAE-FQEVSTJZSA-N 1 2 427.465 0.248 40 0 ICABLO Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCCN(C(=O)CCNC(=O)c2cncc(O)c2)CC1 ZINC000257312486 568716561 /nfs/dbraw/zinc/71/65/61/568716561.db2.gz UODSCDQSYJDPAE-HXUWFJFHSA-N 1 2 427.465 0.248 40 0 ICABLO Nc1nc2c(c(N)[nH+]1)C[C@]1(COCCN(C(=O)CCNc3ncnc4ccccc43)C1)O2 ZINC000257312715 568716839 /nfs/dbraw/zinc/71/68/39/568716839.db2.gz UPGAVZRTZSLRAR-NRFANRHFSA-N 1 2 436.476 0.619 40 0 ICABLO Nc1nc(N)c2c([nH+]1)O[C@]1(C2)COCCN(C(=O)CCNc2ncnc3ccccc32)C1 ZINC000257312715 568716837 /nfs/dbraw/zinc/71/68/37/568716837.db2.gz UPGAVZRTZSLRAR-NRFANRHFSA-N 1 2 436.476 0.619 40 0 ICABLO Nc1nc2c(c(N)[nH+]1)C[C@@]1(COCCN(C(=O)CCNc3ncnc4ccccc43)C1)O2 ZINC000257312716 568716907 /nfs/dbraw/zinc/71/69/07/568716907.db2.gz UPGAVZRTZSLRAR-OAQYLSRUSA-N 1 2 436.476 0.619 40 0 ICABLO Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)COCCN(C(=O)CCNc2ncnc3ccccc32)C1 ZINC000257312716 568716906 /nfs/dbraw/zinc/71/69/06/568716906.db2.gz UPGAVZRTZSLRAR-OAQYLSRUSA-N 1 2 436.476 0.619 40 0 ICABLO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000257320815 568720305 /nfs/dbraw/zinc/72/03/05/568720305.db2.gz VYTSPTUKXBMABJ-ICSRJNTNSA-N 1 2 439.534 0.262 40 0 ICABLO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000257320815 568720304 /nfs/dbraw/zinc/72/03/04/568720304.db2.gz VYTSPTUKXBMABJ-ICSRJNTNSA-N 1 2 439.534 0.262 40 0 ICABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)N1CCSc3ccccc31)C[C@@H]2O ZINC000257323561 568721547 /nfs/dbraw/zinc/72/15/47/568721547.db2.gz WKWOZCMTOISENR-HKUYNNGSSA-N 1 2 425.576 0.986 40 0 ICABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)N1CCSc3ccccc31)C[C@@H]2O ZINC000257323561 568721544 /nfs/dbraw/zinc/72/15/44/568721544.db2.gz WKWOZCMTOISENR-HKUYNNGSSA-N 1 2 425.576 0.986 40 0 ICABLO CCc1[nH+]c2ccccc2n1CCC(=O)N1C[C@H](O)[C@@H](n2cnc3c2nc(N)nc3N)C1 ZINC000257324634 568722233 /nfs/dbraw/zinc/72/22/33/568722233.db2.gz WPOJMMGLADIVBU-GJZGRUSLSA-N 1 2 435.492 0.737 40 0 ICABLO CCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC[C@@H]([N@H+]4CCNC(=O)C4)[C@@H]3O)[nH]n2)cc1 ZINC000257326642 568723068 /nfs/dbraw/zinc/72/30/68/568723068.db2.gz WYAKUTLCBPCAGS-SFHLNBCPSA-N 1 2 427.505 0.871 40 0 ICABLO CCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC[C@@H]([N@@H+]4CCNC(=O)C4)[C@@H]3O)[nH]n2)cc1 ZINC000257326642 568723065 /nfs/dbraw/zinc/72/30/65/568723065.db2.gz WYAKUTLCBPCAGS-SFHLNBCPSA-N 1 2 427.505 0.871 40 0 ICABLO CCOc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)COC)C2)ccc1OCCN1CCOCC1 ZINC000257328351 556705624 /nfs/dbraw/zinc/70/56/24/556705624.db2.gz XFGCFERFSBALDZ-RTBURBONSA-N 1 2 437.537 0.104 40 0 ICABLO CCOc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)COC)C2)ccc1OCCN1CCOCC1 ZINC000257328351 556705622 /nfs/dbraw/zinc/70/56/22/556705622.db2.gz XFGCFERFSBALDZ-RTBURBONSA-N 1 2 437.537 0.104 40 0 ICABLO CS(=O)(=O)N1CCC[C@@]12CC[N@@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)C[C@@H]2O ZINC000257330202 568724497 /nfs/dbraw/zinc/72/44/97/568724497.db2.gz XNISQJDNDFVXGL-ICSRJNTNSA-N 1 2 439.534 0.647 40 0 ICABLO CS(=O)(=O)N1CCC[C@@]12CC[N@H+](CC(=O)Nc1ccc3c(c1)OCCCO3)C[C@@H]2O ZINC000257330202 568724495 /nfs/dbraw/zinc/72/44/95/568724495.db2.gz XNISQJDNDFVXGL-ICSRJNTNSA-N 1 2 439.534 0.647 40 0 ICABLO Cn1c(CCC(=O)N2CC[C@@H](O)[C@@H](O)[C@H]([NH+]3CCOCC3)C2)nc2cc(Cl)ccc21 ZINC000257332258 568725576 /nfs/dbraw/zinc/72/55/76/568725576.db2.gz XWLWLHTWTDZYHQ-OPYAIIAOSA-N 1 2 436.940 0.814 40 0 ICABLO Cc1[nH+]c2cc(C)c(C)cc2n1CC(=O)N1C[C@H](O)[C@@H](n2cnc3c2nc(N)nc3N)C1 ZINC000257337890 568727854 /nfs/dbraw/zinc/72/78/54/568727854.db2.gz YUXUFSGONKQIJT-HOTGVXAUSA-N 1 2 435.492 0.710 40 0 ICABLO Cc1c(C(=O)N(C)[C@@H]2CC[C@@H]([N@H+]3CCNC(=O)C3)[C@@H]2O)nnn1-c1ccc(Cl)cc1 ZINC000257339567 568728399 /nfs/dbraw/zinc/72/83/99/568728399.db2.gz ZCHYHYQFFPHLNB-GPMSIDNRSA-N 1 2 432.912 0.625 40 0 ICABLO Cc1c(C(=O)N(C)[C@@H]2CC[C@@H]([N@@H+]3CCNC(=O)C3)[C@@H]2O)nnn1-c1ccc(Cl)cc1 ZINC000257339567 568728398 /nfs/dbraw/zinc/72/83/98/568728398.db2.gz ZCHYHYQFFPHLNB-GPMSIDNRSA-N 1 2 432.912 0.625 40 0 ICABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1C[C@H](O)[C@@H](n2cnc3c2nc(N)nc3N)C1 ZINC000257340966 568728917 /nfs/dbraw/zinc/72/89/17/568728917.db2.gz ZIHGSQBFKVJFPH-HOTGVXAUSA-N 1 2 435.492 0.873 40 0 ICABLO CC(=O)N1CC[NH+]([C@@H]2[C@@H](O)[C@H](Oc3cccnc3)C[C@H]2NC(=O)c2cccnc2)CC1 ZINC000257342529 568729656 /nfs/dbraw/zinc/72/96/56/568729656.db2.gz ZPAXUVWWHCEXLY-CGXNFDGLSA-N 1 2 425.489 0.320 40 0 ICABLO CCOc1cc(C(=S)NCC[NH+]2CCOCC2)ccc1OCC(=O)N1CCOCC1 ZINC000408571676 555915392 /nfs/dbraw/zinc/91/53/92/555915392.db2.gz CIAYIVJIGLLUHM-UHFFFAOYSA-N 1 2 437.562 0.920 40 0 ICABLO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCOCC3)C2)cc1OC ZINC000408587559 555937902 /nfs/dbraw/zinc/93/79/02/555937902.db2.gz BNHBUAQQSIEZSS-INIZCTEOSA-N 1 2 441.550 0.553 40 0 ICABLO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCOCC3)C2)cc1OC ZINC000408587561 555937884 /nfs/dbraw/zinc/93/78/84/555937884.db2.gz BNHBUAQQSIEZSS-MRXNPFEDSA-N 1 2 441.550 0.553 40 0 ICABLO O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)NCC[NH+]1CCOCC1 ZINC000408587564 555937973 /nfs/dbraw/zinc/93/79/73/555937973.db2.gz BNZHLHZYTIJGMR-UHFFFAOYSA-N 1 2 433.530 0.992 40 0 ICABLO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC[NH+]3CCOCC3)C2)cc1 ZINC000408587696 555938227 /nfs/dbraw/zinc/93/82/27/555938227.db2.gz BXBBCHFXVIOZEJ-KRWDZBQOSA-N 1 2 425.551 0.934 40 0 ICABLO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH+]3CCOCC3)C2)cc1 ZINC000408587706 555938232 /nfs/dbraw/zinc/93/82/32/555938232.db2.gz BXBBCHFXVIOZEJ-QGZVFWFLSA-N 1 2 425.551 0.934 40 0 ICABLO Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)NCC[NH+]1CCOCC1 ZINC000408592841 555954213 /nfs/dbraw/zinc/95/42/13/555954213.db2.gz MCGMKPOOYYDSBH-UHFFFAOYSA-N 1 2 425.551 0.997 40 0 ICABLO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000408592894 555954476 /nfs/dbraw/zinc/95/44/76/555954476.db2.gz MFLTVSSVSPNCPD-KRWDZBQOSA-N 1 2 425.551 0.853 40 0 ICABLO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCOCC2)C1 ZINC000408592898 555954575 /nfs/dbraw/zinc/95/45/75/555954575.db2.gz MFLTVSSVSPNCPD-QGZVFWFLSA-N 1 2 425.551 0.853 40 0 ICABLO COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000408593871 555959838 /nfs/dbraw/zinc/95/98/38/555959838.db2.gz OSJCFPVYJIKDEE-UHFFFAOYSA-N 1 2 425.551 0.853 40 0 ICABLO O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NCC[NH+]1CCOCC1 ZINC000408594390 555960814 /nfs/dbraw/zinc/96/08/14/555960814.db2.gz QFTNFDXSYPGMAW-UHFFFAOYSA-N 1 2 431.942 0.952 40 0 ICABLO C[C@H](Oc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1)C(=O)N1CCOCC1 ZINC000408600602 555957983 /nfs/dbraw/zinc/95/79/83/555957983.db2.gz BDMFMQRGLQAGMX-KRWDZBQOSA-N 1 2 441.550 0.313 40 0 ICABLO C[C@@H](Oc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1)C(=O)N1CCOCC1 ZINC000408600603 555958098 /nfs/dbraw/zinc/95/80/98/555958098.db2.gz BDMFMQRGLQAGMX-QGZVFWFLSA-N 1 2 441.550 0.313 40 0 ICABLO CS(=O)(=O)N(CC(=O)NCC[NH+]1CCOCC1)Cc1ccc(Br)cc1 ZINC000408624417 555993646 /nfs/dbraw/zinc/99/36/46/555993646.db2.gz UKAXKURFUZJFEC-UHFFFAOYSA-N 1 2 434.356 0.659 40 0 ICABLO COCCNS(=O)(=O)c1ccc(OCC(=O)NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000408635606 556013771 /nfs/dbraw/zinc/01/37/71/556013771.db2.gz FTHLIBSDVNYBEC-UHFFFAOYSA-N 1 2 435.930 0.092 40 0 ICABLO Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C[NH+]3CCC(C(N)=O)CC3)cc2)n1 ZINC000409416307 557110926 /nfs/dbraw/zinc/11/09/26/557110926.db2.gz QDZOWBKURZRWIO-UHFFFAOYSA-N 1 2 432.506 0.722 40 0 ICABLO COc1ccc(NC(C)=O)cc1S(=O)(=O)N(CC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000575424981 568864960 /nfs/dbraw/zinc/86/49/60/568864960.db2.gz DEIOYUQOXFZDFC-HNNXBMFYSA-N 1 2 433.552 0.393 40 0 ICABLO COc1ccc(NC(C)=O)cc1S(=O)(=O)N(CC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000575424986 568864894 /nfs/dbraw/zinc/86/48/94/568864894.db2.gz DEIOYUQOXFZDFC-OAHLLOKOSA-N 1 2 433.552 0.393 40 0 ICABLO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)cc1NC(C)=O ZINC000575425394 568864986 /nfs/dbraw/zinc/86/49/86/568864986.db2.gz DQZGBGBEQGNACB-AWEZNQCLSA-N 1 2 433.552 0.393 40 0 ICABLO COc1ccc(S(=O)(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)cc1NC(C)=O ZINC000575425395 568864903 /nfs/dbraw/zinc/86/49/03/568864903.db2.gz DQZGBGBEQGNACB-CQSZACIVSA-N 1 2 433.552 0.393 40 0 ICABLO CCOC(=O)[C@@H]1CN(c2ncccn2)C[C@H]2CN(C(=O)c3ccnc(F)c3)CC[N@H+]2C1 ZINC000585108143 557043460 /nfs/dbraw/zinc/04/34/60/557043460.db2.gz BSFUZRSYBJZOAB-DLBZAZTESA-N 1 2 428.468 0.837 40 0 ICABLO CCOC(=O)[C@@H]1CN(c2ncccn2)C[C@H]2CN(C(=O)c3ccnc(F)c3)CC[N@@H+]2C1 ZINC000585108143 557043458 /nfs/dbraw/zinc/04/34/58/557043458.db2.gz BSFUZRSYBJZOAB-DLBZAZTESA-N 1 2 428.468 0.837 40 0 ICABLO CCOC(=O)[C@H]1CN(c2ncccn2)C[C@H]2CN(C(=O)c3ccnc(F)c3)CC[N@H+]2C1 ZINC000585108144 557043487 /nfs/dbraw/zinc/04/34/87/557043487.db2.gz BSFUZRSYBJZOAB-IAGOWNOFSA-N 1 2 428.468 0.837 40 0 ICABLO CCOC(=O)[C@H]1CN(c2ncccn2)C[C@H]2CN(C(=O)c3ccnc(F)c3)CC[N@@H+]2C1 ZINC000585108144 557043484 /nfs/dbraw/zinc/04/34/84/557043484.db2.gz BSFUZRSYBJZOAB-IAGOWNOFSA-N 1 2 428.468 0.837 40 0 ICABLO CCOC(=O)[C@@H]1CN(c2ncccn2)C[C@@H]2CN(C(=O)c3ccnc(F)c3)CC[N@H+]2C1 ZINC000585108145 557043844 /nfs/dbraw/zinc/04/38/44/557043844.db2.gz BSFUZRSYBJZOAB-IRXDYDNUSA-N 1 2 428.468 0.837 40 0 ICABLO CCOC(=O)[C@@H]1CN(c2ncccn2)C[C@@H]2CN(C(=O)c3ccnc(F)c3)CC[N@@H+]2C1 ZINC000585108145 557043842 /nfs/dbraw/zinc/04/38/42/557043842.db2.gz BSFUZRSYBJZOAB-IRXDYDNUSA-N 1 2 428.468 0.837 40 0 ICABLO CCOC(=O)[C@H]1CN(c2ncccn2)C[C@@H]2CN(C(=O)c3ccnc(F)c3)CC[N@H+]2C1 ZINC000585108146 557043883 /nfs/dbraw/zinc/04/38/83/557043883.db2.gz BSFUZRSYBJZOAB-SJORKVTESA-N 1 2 428.468 0.837 40 0 ICABLO CCOC(=O)[C@H]1CN(c2ncccn2)C[C@@H]2CN(C(=O)c3ccnc(F)c3)CC[N@@H+]2C1 ZINC000585108146 557043880 /nfs/dbraw/zinc/04/38/80/557043880.db2.gz BSFUZRSYBJZOAB-SJORKVTESA-N 1 2 428.468 0.837 40 0 ICABLO CN(C)c1ccc(C(=O)N2CCc3oc(C(=O)NC[C@H]4C[N@@H+](C)CCO4)nc3C2)cc1 ZINC000585111674 557044666 /nfs/dbraw/zinc/04/46/66/557044666.db2.gz FHLJLMGMRASRBO-KRWDZBQOSA-N 1 2 427.505 1.000 40 0 ICABLO CN(C)c1ccc(C(=O)N2CCc3oc(C(=O)NC[C@H]4C[N@H+](C)CCO4)nc3C2)cc1 ZINC000585111674 557044663 /nfs/dbraw/zinc/04/46/63/557044663.db2.gz FHLJLMGMRASRBO-KRWDZBQOSA-N 1 2 427.505 1.000 40 0 ICABLO CN(C)c1ccc(C(=O)N2CCc3oc(C(=O)NC[C@@H]4C[N@@H+](C)CCO4)nc3C2)cc1 ZINC000585111676 557044701 /nfs/dbraw/zinc/04/47/01/557044701.db2.gz FHLJLMGMRASRBO-QGZVFWFLSA-N 1 2 427.505 1.000 40 0 ICABLO CN(C)c1ccc(C(=O)N2CCc3oc(C(=O)NC[C@@H]4C[N@H+](C)CCO4)nc3C2)cc1 ZINC000585111676 557044698 /nfs/dbraw/zinc/04/46/98/557044698.db2.gz FHLJLMGMRASRBO-QGZVFWFLSA-N 1 2 427.505 1.000 40 0 ICABLO O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000585283140 557222792 /nfs/dbraw/zinc/22/27/92/557222792.db2.gz CIICPJLCQOMYMZ-PZJWPPBQSA-N 1 2 432.546 0.390 40 0 ICABLO O=C(Cn1cc[nH+]c1)N1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585284366 557224164 /nfs/dbraw/zinc/22/41/64/557224164.db2.gz KMPFWPXFJYROSL-JOCHJYFZSA-N 1 2 446.479 0.948 40 0 ICABLO O=C(Cn1cc[nH+]c1)N1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CCOCC2)C1 ZINC000585284373 557224095 /nfs/dbraw/zinc/22/40/95/557224095.db2.gz KMPFWPXFJYROSL-QFIPXVFZSA-N 1 2 446.479 0.948 40 0 ICABLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 ZINC000585286503 557225260 /nfs/dbraw/zinc/22/52/60/557225260.db2.gz ZEDBUHSDBOPQOS-FAKFISEUSA-N 1 2 439.516 0.688 40 0 ICABLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1 ZINC000585286503 557225258 /nfs/dbraw/zinc/22/52/58/557225258.db2.gz ZEDBUHSDBOPQOS-FAKFISEUSA-N 1 2 439.516 0.688 40 0 ICABLO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000585290193 557227047 /nfs/dbraw/zinc/22/70/47/557227047.db2.gz OGFBPNYFVYJGDE-YADHBBJMSA-N 1 2 449.548 0.740 40 0 ICABLO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000585290193 557227043 /nfs/dbraw/zinc/22/70/43/557227043.db2.gz OGFBPNYFVYJGDE-YADHBBJMSA-N 1 2 449.548 0.740 40 0 ICABLO Cc1cc(C)nc(N2CC[NH+](C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)CC2)n1 ZINC000585290777 557227901 /nfs/dbraw/zinc/22/79/01/557227901.db2.gz FIVPBWVSYRGPEV-CTNGQTDRSA-N 1 2 447.561 0.012 40 0 ICABLO Cc1cccnc1CN1CC[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1 ZINC000585291053 557228393 /nfs/dbraw/zinc/22/83/93/557228393.db2.gz IRUNHNMONXNZHE-YADHBBJMSA-N 1 2 446.573 0.304 40 0 ICABLO Cc1cccnc1C[NH+]1CCN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1 ZINC000585291053 557228392 /nfs/dbraw/zinc/22/83/92/557228392.db2.gz IRUNHNMONXNZHE-YADHBBJMSA-N 1 2 446.573 0.304 40 0 ICABLO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]Cc2nc(Cc3ccccc3)no2)C1 ZINC000585291381 557228692 /nfs/dbraw/zinc/22/86/92/557228692.db2.gz OKZTXWXGKIGYJZ-NQIIRXRSSA-N 1 2 444.513 0.547 40 0 ICABLO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000585291449 557229031 /nfs/dbraw/zinc/22/90/31/557229031.db2.gz PPSJXHWEOSUPSH-YADHBBJMSA-N 1 2 449.548 0.740 40 0 ICABLO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCN(Cc3ccccc3F)CC2)C1 ZINC000585291449 557229027 /nfs/dbraw/zinc/22/90/27/557229027.db2.gz PPSJXHWEOSUPSH-YADHBBJMSA-N 1 2 449.548 0.740 40 0 ICABLO Cc1csc(N2CC[NH+](C[C@]3(O)CN(S(=O)(=O)c4ccccc4)C[C@H]3O)CC2)n1 ZINC000585291957 557230081 /nfs/dbraw/zinc/23/00/81/557230081.db2.gz WGACCWTXMCLGBL-MJGOQNOKSA-N 1 2 438.575 0.370 40 0 ICABLO Cc1cccnc1C[N@H+]1C[C@@H]2[C@H](C1)Oc1ccccc1S(=O)(=O)NC[C@H](O)CN2C ZINC001534612049 1071431927 /nfs/dbraw/zinc/43/19/27/1071431927.db2.gz DPAUXFOFBRMVHY-HQRMLTQVSA-N 1 2 432.546 0.606 40 0 ICABLO Cc1cccnc1C[N@@H+]1C[C@@H]2[C@H](C1)Oc1ccccc1S(=O)(=O)NC[C@H](O)CN2C ZINC001534612049 1071431920 /nfs/dbraw/zinc/43/19/20/1071431920.db2.gz DPAUXFOFBRMVHY-HQRMLTQVSA-N 1 2 432.546 0.606 40 0 ICABLO