smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)ccc2c1 ZINC000010056358 537032550 /nfs/dbraw/zinc/03/25/50/537032550.db2.gz SSKDGMDSEACAOA-UHFFFAOYSA-N 1 1 447.579 3.775 50 10 IHCAMO CN(C)c1ccc([C@H](CNC(=O)c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914659 569166095 /nfs/dbraw/zinc/16/60/95/569166095.db2.gz ZBAMNZNNHROWAM-QHCPKHFHSA-N 1 1 436.531 3.778 50 10 IHCAMO CN1CCc2cc([C@@H](CNS(=O)(=O)c3ccc(Cl)s3)[NH+]3CCCC3)ccc21 ZINC000008801034 569476472 /nfs/dbraw/zinc/47/64/72/569476472.db2.gz IKEVFYARQPGLTO-QGZVFWFLSA-N 1 1 426.007 3.509 50 10 IHCAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)c3cccnc3)CC2)cc1 ZINC000020289566 569359454 /nfs/dbraw/zinc/35/94/54/569359454.db2.gz BNANGOPFUUKKGX-MBSDFSHPSA-N 1 1 436.581 3.834 50 10 IHCAMO COc1ccc2ccc(O)c(C[NH+]3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2c1 ZINC000033428313 557396757 /nfs/dbraw/zinc/39/67/57/557396757.db2.gz CETIDIVELLOUJN-LFIBNONCSA-N 1 1 438.549 3.672 50 10 IHCAMO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036683807 569132815 /nfs/dbraw/zinc/13/28/15/569132815.db2.gz XBDCHTBFLLZDPS-VWLOTQADSA-N 1 1 442.563 3.607 50 10 IHCAMO CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000036683807 569132816 /nfs/dbraw/zinc/13/28/16/569132816.db2.gz XBDCHTBFLLZDPS-VWLOTQADSA-N 1 1 442.563 3.607 50 10 IHCAMO Cc1c(O)c(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2c3ccccc3c(=O)oc12 ZINC000524729820 569297700 /nfs/dbraw/zinc/29/77/00/569297700.db2.gz KTTRTKRWKKPOPU-SJORKVTESA-N 1 1 428.488 3.741 50 10 biogenic IHCAMO Cc1c(O)c(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2c3ccccc3c(=O)oc12 ZINC000524729820 569297701 /nfs/dbraw/zinc/29/77/01/569297701.db2.gz KTTRTKRWKKPOPU-SJORKVTESA-N 1 1 428.488 3.741 50 10 biogenic IHCAMO CCc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccc(OC)cc5)CC4)ncc3C2)cc1 ZINC000021640178 523929763 /nfs/dbraw/zinc/92/97/63/523929763.db2.gz BFIKBWVJSRPHMH-UHFFFAOYSA-N 1 1 443.595 3.933 50 10 IHCAMO CCc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccc(OC)cc5)CC4)ncc3C2)cc1 ZINC000021640178 523929768 /nfs/dbraw/zinc/92/97/68/523929768.db2.gz BFIKBWVJSRPHMH-UHFFFAOYSA-N 1 1 443.595 3.933 50 10 IHCAMO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000036683805 569132642 /nfs/dbraw/zinc/13/26/42/569132642.db2.gz XBDCHTBFLLZDPS-RUZDIDTESA-N 1 1 442.563 3.607 50 10 IHCAMO CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000036683805 569132644 /nfs/dbraw/zinc/13/26/44/569132644.db2.gz XBDCHTBFLLZDPS-RUZDIDTESA-N 1 1 442.563 3.607 50 10 IHCAMO CN1CCc2cc([C@H](CNS(=O)(=O)c3ccc(Cl)s3)[NH+]3CCCC3)ccc21 ZINC000008801035 569476492 /nfs/dbraw/zinc/47/64/92/569476492.db2.gz IKEVFYARQPGLTO-KRWDZBQOSA-N 1 1 426.007 3.509 50 10 IHCAMO Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000008400672 132281495 /nfs/dbraw/zinc/28/14/95/132281495.db2.gz HMNLBAKEXMGLRM-FYJGNVAPSA-N 1 1 430.533 3.937 50 10 IHCAMO CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cc[nH+]cc3)c2C)C(=O)NC1=S ZINC000008400659 132281525 /nfs/dbraw/zinc/28/15/25/132281525.db2.gz QVCVZSDKDOTMRP-XSFVSMFZSA-N 1 1 430.533 3.883 50 10 IHCAMO COc1ccc2ccc(O)c(CN3c4ccccc4CC[C@@H]3C(=O)N3CC[NH+](C)CC3)c2c1 ZINC000083881685 568784293 /nfs/dbraw/zinc/78/42/93/568784293.db2.gz KRXCQNZGLDKOGL-RUZDIDTESA-N 1 1 445.563 3.649 50 10 IHCAMO COc1ccc(N2CCN(c3ncc4c(n3)CC[N@@H+](Cc3ccc(C)cc3)C4)CC2)cc1 ZINC000015779456 568825010 /nfs/dbraw/zinc/82/50/10/568825010.db2.gz HDQYIVBYNQTMOE-UHFFFAOYSA-N 1 1 429.568 3.679 50 10 IHCAMO COc1ccc(N2CCN(c3ncc4c(n3)CC[N@H+](Cc3ccc(C)cc3)C4)CC2)cc1 ZINC000015779456 568825012 /nfs/dbraw/zinc/82/50/12/568825012.db2.gz HDQYIVBYNQTMOE-UHFFFAOYSA-N 1 1 429.568 3.679 50 10 IHCAMO CN(C)c1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1 ZINC000015779683 568825047 /nfs/dbraw/zinc/82/50/47/568825047.db2.gz LMAJSMXBLUEGIL-UHFFFAOYSA-N 1 1 446.574 3.567 50 10 IHCAMO CN(C)c1ccc(C[N@H+]2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)cc1 ZINC000015779683 568825049 /nfs/dbraw/zinc/82/50/49/568825049.db2.gz LMAJSMXBLUEGIL-UHFFFAOYSA-N 1 1 446.574 3.567 50 10 IHCAMO COCCC[N@H+](Cc1c([O-])ccc2c(C)cc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524730815 568904179 /nfs/dbraw/zinc/90/41/79/568904179.db2.gz YJIOFMPLZBQLPR-SIKLNZKXSA-N 1 1 428.573 3.910 50 10 biogenic IHCAMO COCCC[NH+](Cc1c([O-])ccc2c(C)cc(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524730815 568904181 /nfs/dbraw/zinc/90/41/81/568904181.db2.gz YJIOFMPLZBQLPR-SIKLNZKXSA-N 1 1 428.573 3.910 50 10 biogenic IHCAMO COCCC[NH+](Cc1c([O-])ccc2c(C)cc(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730815 568904182 /nfs/dbraw/zinc/90/41/82/568904182.db2.gz YJIOFMPLZBQLPR-SIKLNZKXSA-N 1 1 428.573 3.910 50 10 biogenic IHCAMO Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000008400514 132281422 /nfs/dbraw/zinc/28/14/22/132281422.db2.gz RHYKGLMVOCFBCM-FYJGNVAPSA-N 1 1 430.533 3.937 50 10 IHCAMO CCOc1cccc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1O ZINC000020452891 521340868 /nfs/dbraw/zinc/34/08/68/521340868.db2.gz GTIOHWBPQGVYIE-QFIPXVFZSA-N 1 1 425.573 3.586 50 10 IHCAMO COc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c(O)c1 ZINC000012597600 524027619 /nfs/dbraw/zinc/02/76/19/524027619.db2.gz JSSPJPOBNFNROL-SFHVURJKSA-N 1 1 442.556 3.727 50 10 IHCAMO Oc1ccccc1C[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C[C@@H]1CCCO1 ZINC000016050402 556581066 /nfs/dbraw/zinc/58/10/66/556581066.db2.gz QZJLBKZWIMPBMG-QUCCMNQESA-N 1 1 436.346 3.576 50 10 IHCAMO COc1ccc(N2CC[NH+](CCNC(=O)c3cc4ccc5ccc(C)nc5c4[nH]3)CC2)cc1 ZINC000085577747 568825314 /nfs/dbraw/zinc/82/53/14/568825314.db2.gz YTKUMPCZGIAYOG-UHFFFAOYSA-N 1 1 443.551 3.585 50 10 IHCAMO C[C@H]1CCCN(c2cc(NCC[N@@H+](C)CCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641226 132324369 /nfs/dbraw/zinc/32/43/69/132324369.db2.gz ATLOQSNQWJCKSL-INIZCTEOSA-N 1 1 434.540 3.612 50 10 IHCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1O ZINC000020452889 521337254 /nfs/dbraw/zinc/33/72/54/521337254.db2.gz GTIOHWBPQGVYIE-JOCHJYFZSA-N 1 1 425.573 3.586 50 10 IHCAMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2O)C2CCCCC2)c(OC)c1 ZINC000012633154 522146229 /nfs/dbraw/zinc/14/62/29/522146229.db2.gz AVQKDGNGUDLESL-NRFANRHFSA-N 1 1 443.540 3.762 50 10 IHCAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(OC)c3O)C2)c(OC)c1 ZINC000012464063 524048479 /nfs/dbraw/zinc/04/84/79/524048479.db2.gz YHVOZPGTDJZOAK-SFHVURJKSA-N 1 1 442.556 3.727 50 10 IHCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](CC4=Cc5cccc(OC)c5OC4)C3)CC2)cc1 ZINC000022851662 524435294 /nfs/dbraw/zinc/43/52/94/524435294.db2.gz MJUUXLCCPKWKMO-DEOSSOPVSA-N 1 1 449.595 3.766 50 10 IHCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](CC4=Cc5cccc(OC)c5OC4)C3)CC2)cc1 ZINC000022851662 524435304 /nfs/dbraw/zinc/43/53/04/524435304.db2.gz MJUUXLCCPKWKMO-DEOSSOPVSA-N 1 1 449.595 3.766 50 10 IHCAMO CCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](CCOC)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000409413240 556640673 /nfs/dbraw/zinc/64/06/73/556640673.db2.gz GFQIARMUCJSYDI-SIKLNZKXSA-N 1 1 428.573 3.774 50 10 biogenic IHCAMO CCc1cc(=O)oc2c1ccc([O-])c2C[NH+](CCOC)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000409413240 556640677 /nfs/dbraw/zinc/64/06/77/556640677.db2.gz GFQIARMUCJSYDI-SIKLNZKXSA-N 1 1 428.573 3.774 50 10 biogenic IHCAMO CCc1cc(=O)oc2c1ccc([O-])c2C[NH+](CCOC)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000409413240 556640679 /nfs/dbraw/zinc/64/06/79/556640679.db2.gz GFQIARMUCJSYDI-SIKLNZKXSA-N 1 1 428.573 3.774 50 10 biogenic IHCAMO COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)C[NH+]3CCC(C)CC3)c2C)c1 ZINC000000948801 568643770 /nfs/dbraw/zinc/64/37/70/568643770.db2.gz GPOVIHUCJZTOCA-UHFFFAOYSA-N 1 1 426.513 3.582 50 10 IHCAMO CCN(C)C(=O)c1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000089960829 569169046 /nfs/dbraw/zinc/16/90/46/569169046.db2.gz UAGJEJDVRXQIGC-HXUWFJFHSA-N 1 1 429.948 3.532 50 10 IHCAMO O=C([C@H]1COc2ccccc2O1)N1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000012848063 526558526 /nfs/dbraw/zinc/55/85/26/526558526.db2.gz MPQJHKUIXUWMPO-RUZDIDTESA-N 1 1 444.487 3.776 50 10 IHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cccn4-c4cccnc4)C3)CC2)cc1 ZINC000096449028 557200130 /nfs/dbraw/zinc/20/01/30/557200130.db2.gz JVJLUKSUWOGKJJ-XMMPIXPASA-N 1 1 431.584 3.668 50 10 IHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cccn4-c4cccnc4)C3)CC2)cc1 ZINC000096449028 557200133 /nfs/dbraw/zinc/20/01/33/557200133.db2.gz JVJLUKSUWOGKJJ-XMMPIXPASA-N 1 1 431.584 3.668 50 10 IHCAMO CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3cc[nH+]cc3)c2C)C(=O)NC1=S ZINC000009311625 132313455 /nfs/dbraw/zinc/31/34/55/132313455.db2.gz QVCVZSDKDOTMRP-ZHZULCJRSA-N 1 1 430.533 3.883 50 10 IHCAMO CC(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022665707 519593906 /nfs/dbraw/zinc/59/39/06/519593906.db2.gz KHFQIHRIJCTMHO-DEOSSOPVSA-N 1 1 426.580 3.917 50 10 IHCAMO Cc1cc(C(=O)COC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c(C)n1-c1cccc(F)c1 ZINC000072312525 556687361 /nfs/dbraw/zinc/68/73/61/556687361.db2.gz LIIHTPJSYKKAIY-HSZRJFAPSA-N 1 1 430.520 3.752 50 10 IHCAMO COCC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1c1cccc(OC)c1 ZINC000034740323 568824551 /nfs/dbraw/zinc/82/45/51/568824551.db2.gz XTFDACXCSJXCCZ-ISKFKSNPSA-N 1 1 440.584 3.747 50 10 IHCAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)c3cccnc3)CC2)cc1 ZINC000020289563 569359502 /nfs/dbraw/zinc/35/95/02/569359502.db2.gz BNANGOPFUUKKGX-WZONZLPQSA-N 1 1 436.581 3.834 50 10 IHCAMO CN(Cc1ccon1)C(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1ccccc1O ZINC000012040347 556390771 /nfs/dbraw/zinc/39/07/71/556390771.db2.gz IZQXPXHGAPQCNR-RTWAWAEBSA-N 1 1 441.528 3.913 50 10 IHCAMO Oc1ccccc1C[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C[C@H]1CCCO1 ZINC000009493299 569540755 /nfs/dbraw/zinc/54/07/55/569540755.db2.gz QZJLBKZWIMPBMG-AZUAARDMSA-N 1 1 436.346 3.576 50 10 IHCAMO Cc1cc(C(=O)COC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c(C)n1-c1cccc(F)c1 ZINC000072312526 556687446 /nfs/dbraw/zinc/68/74/46/556687446.db2.gz LIIHTPJSYKKAIY-QHCPKHFHSA-N 1 1 430.520 3.752 50 10 IHCAMO FC(F)(F)c1cc(N2CCOCC2)ccc1C[NH2+]Cc1csc(-c2ncccn2)n1 ZINC000062582280 556838202 /nfs/dbraw/zinc/83/82/02/556838202.db2.gz OSIVFZKPZQCZQM-UHFFFAOYSA-N 1 1 435.475 3.745 50 10 IHCAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000016914654 569166030 /nfs/dbraw/zinc/16/60/30/569166030.db2.gz ZBAMNZNNHROWAM-HSZRJFAPSA-N 1 1 436.531 3.778 50 10 IHCAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)c3ccncc3)CC2)cc1 ZINC000020289583 569359419 /nfs/dbraw/zinc/35/94/19/569359419.db2.gz CZTKOBBWZNKJNP-FDDCHVKYSA-N 1 1 436.581 3.834 50 10 IHCAMO COc1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c(O)c1 ZINC000012597603 524029548 /nfs/dbraw/zinc/02/95/48/524029548.db2.gz JSSPJPOBNFNROL-GOSISDBHSA-N 1 1 442.556 3.727 50 10 IHCAMO CC(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022665702 519596061 /nfs/dbraw/zinc/59/60/61/519596061.db2.gz KHFQIHRIJCTMHO-XMMPIXPASA-N 1 1 426.580 3.917 50 10 IHCAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3c(O)cccc3OC)C2)c(OC)c1 ZINC000012300982 524048286 /nfs/dbraw/zinc/04/82/86/524048286.db2.gz XGTHYVFIRAUWLX-SFHVURJKSA-N 1 1 442.556 3.727 50 10 IHCAMO O=C([C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1)N1CCc2ccccc2C1 ZINC000004483014 555996916 /nfs/dbraw/zinc/99/69/16/555996916.db2.gz LNXNZWGBUXBMKJ-SFHVURJKSA-N 1 1 429.358 3.952 50 10 IHCAMO O=C([C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1)N1CCc2ccccc2C1 ZINC000009933459 556316825 /nfs/dbraw/zinc/31/68/25/556316825.db2.gz LNXNZWGBUXBMKJ-GOSISDBHSA-N 1 1 429.358 3.952 50 10 IHCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1 ZINC000014966908 556465808 /nfs/dbraw/zinc/46/58/08/556465808.db2.gz IRXQGEBQBZSAKO-SFHVURJKSA-N 1 1 442.556 3.727 50 10 IHCAMO COc1ccc(N2CCN(c3ncc4c(n3)CC[N@@H+](Cc3ccc(C)c(C)c3)C4)CC2)cc1 ZINC000015779462 568825055 /nfs/dbraw/zinc/82/50/55/568825055.db2.gz OYYWMHUEFNJBJT-UHFFFAOYSA-N 1 1 443.595 3.987 50 10 IHCAMO COc1ccc(N2CCN(c3ncc4c(n3)CC[N@H+](Cc3ccc(C)c(C)c3)C4)CC2)cc1 ZINC000015779462 568825057 /nfs/dbraw/zinc/82/50/57/568825057.db2.gz OYYWMHUEFNJBJT-UHFFFAOYSA-N 1 1 443.595 3.987 50 10 IHCAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000003342390 569446966 /nfs/dbraw/zinc/44/69/66/569446966.db2.gz CGOJTLQHODCMLN-FQEVSTJZSA-N 1 1 425.481 3.639 50 10 IHCAMO COc1cc(C(C)=O)ccc1OC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000003342390 569446967 /nfs/dbraw/zinc/44/69/67/569446967.db2.gz CGOJTLQHODCMLN-FQEVSTJZSA-N 1 1 425.481 3.639 50 10 IHCAMO CCNc1cc(N2CC[NH+](C3CCCCC3)CC2)c(N)c2c1C(=O)c1ccccc1C2=O ZINC000009130721 535522263 /nfs/dbraw/zinc/52/22/63/535522263.db2.gz OYOSFGXKGSEHEV-UHFFFAOYSA-N 1 1 432.568 3.931 50 10 IHCAMO COc1ccc2ccc(O)c(C[NH+]3CCN(S(=O)(=O)/C=C\c4ccccc4)CC3)c2c1 ZINC000096298633 569392018 /nfs/dbraw/zinc/39/20/18/569392018.db2.gz CETIDIVELLOUJN-WJDWOHSUSA-N 1 1 438.549 3.672 50 10 IHCAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000008779817 569475592 /nfs/dbraw/zinc/47/55/92/569475592.db2.gz PUEYXWHTVVVONK-INIZCTEOSA-N 1 1 440.613 3.785 50 10 IHCAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000008779817 569475593 /nfs/dbraw/zinc/47/55/93/569475593.db2.gz PUEYXWHTVVVONK-INIZCTEOSA-N 1 1 440.613 3.785 50 10 IHCAMO c1ccc(N2CCN([C@@H]3CCC[N@H+](C4CCN(c5ccc6c(c5)OCO6)CC4)C3)CC2)cc1 ZINC000019958429 556954947 /nfs/dbraw/zinc/95/49/47/556954947.db2.gz PDMCNMZZOPDZBO-RUZDIDTESA-N 1 1 448.611 3.671 50 10 IHCAMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000057903285 569442653 /nfs/dbraw/zinc/44/26/53/569442653.db2.gz PCHGUAAORRZIEH-HXUWFJFHSA-N 1 1 443.594 3.823 50 10 IHCAMO COc1ccc(N2CC[NH+](CCNC(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000038588996 569464228 /nfs/dbraw/zinc/46/42/28/569464228.db2.gz IWCGUZCNZIJYJH-UHFFFAOYSA-N 1 1 444.579 3.906 50 10 IHCAMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](Cc2ccccc2O)C2CCCCC2)c(OC)c1 ZINC000012633155 522145139 /nfs/dbraw/zinc/14/51/39/522145139.db2.gz AVQKDGNGUDLESL-OAQYLSRUSA-N 1 1 443.540 3.762 50 10 IHCAMO CCOc1cccc(CN2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1O ZINC000019228396 556717377 /nfs/dbraw/zinc/71/73/77/556717377.db2.gz LXBWSJQTSGQHJU-NRFANRHFSA-N 1 1 428.573 3.947 50 10 IHCAMO CCOc1cccc(C[N@@H+]2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1O ZINC000019228396 556717379 /nfs/dbraw/zinc/71/73/79/556717379.db2.gz LXBWSJQTSGQHJU-NRFANRHFSA-N 1 1 428.573 3.947 50 10 IHCAMO CCOc1cccc(C[N@H+]2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1O ZINC000019228396 556717383 /nfs/dbraw/zinc/71/73/83/556717383.db2.gz LXBWSJQTSGQHJU-NRFANRHFSA-N 1 1 428.573 3.947 50 10 IHCAMO COc1ccc2ccc(O)c(C[N@H+]3CCCN(S(=O)(=O)c4ccc(C)cc4)CC3)c2c1 ZINC000009781926 569567697 /nfs/dbraw/zinc/56/76/97/569567697.db2.gz ZJNYRKCLKSSTQV-UHFFFAOYSA-N 1 1 440.565 3.759 50 10 IHCAMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(N2CCCCC2)cc1 ZINC000012569546 522496963 /nfs/dbraw/zinc/49/69/63/522496963.db2.gz XWZDOEVBQQYHCY-UHFFFAOYSA-N 1 1 438.963 3.982 50 10 IHCAMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(N2CCCCC2)cc1 ZINC000012569546 522496975 /nfs/dbraw/zinc/49/69/75/522496975.db2.gz XWZDOEVBQQYHCY-UHFFFAOYSA-N 1 1 438.963 3.982 50 10 IHCAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3c(O)cccc3OC)C2)c(OC)c1 ZINC000012300984 524048410 /nfs/dbraw/zinc/04/84/10/524048410.db2.gz XGTHYVFIRAUWLX-GOSISDBHSA-N 1 1 442.556 3.727 50 10 IHCAMO O=C([C@@H]1COc2ccccc2O1)N1CC[NH+](Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000012848057 526495540 /nfs/dbraw/zinc/49/55/40/526495540.db2.gz MPQJHKUIXUWMPO-VWLOTQADSA-N 1 1 444.487 3.776 50 10 IHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](CC4=Cc5cccc(OC)c5OC4)C3)CC2)cc1 ZINC000022851660 524432691 /nfs/dbraw/zinc/43/26/91/524432691.db2.gz MJUUXLCCPKWKMO-XMMPIXPASA-N 1 1 449.595 3.766 50 10 IHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](CC4=Cc5cccc(OC)c5OC4)C3)CC2)cc1 ZINC000022851660 524432697 /nfs/dbraw/zinc/43/26/97/524432697.db2.gz MJUUXLCCPKWKMO-XMMPIXPASA-N 1 1 449.595 3.766 50 10 IHCAMO COCC[N@H+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524731628 569126668 /nfs/dbraw/zinc/12/66/68/569126668.db2.gz FJEZVXIIWNTRHV-FDDCHVKYSA-N 1 1 440.584 3.700 50 10 biogenic IHCAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000003342388 569446970 /nfs/dbraw/zinc/44/69/70/569446970.db2.gz CGOJTLQHODCMLN-HXUWFJFHSA-N 1 1 425.481 3.639 50 10 IHCAMO COc1cc(C(C)=O)ccc1OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000003342388 569446971 /nfs/dbraw/zinc/44/69/71/569446971.db2.gz CGOJTLQHODCMLN-HXUWFJFHSA-N 1 1 425.481 3.639 50 10 IHCAMO C[C@@H]1CCCN(c2cc(NCC[N@@H+](C)CCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641222 132324412 /nfs/dbraw/zinc/32/44/12/132324412.db2.gz ATLOQSNQWJCKSL-MRXNPFEDSA-N 1 1 434.540 3.612 50 10 IHCAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NC(C)C)[N@@H+](Cc3ccc(OC)cc3O)C2)cc1 ZINC000014889412 556456208 /nfs/dbraw/zinc/45/62/08/556456208.db2.gz CJOGJNJZAIWQGI-RTWAWAEBSA-N 1 1 430.570 3.669 50 10 IHCAMO COc1ccc(N2CCN(c3ncc4c(n3)CC[N@@H+](Cc3ccccc3C)C4)CC2)cc1 ZINC000021640153 524439066 /nfs/dbraw/zinc/43/90/66/524439066.db2.gz AALOEJFJLYSMEM-UHFFFAOYSA-N 1 1 429.568 3.679 50 10 IHCAMO COc1ccc(N2CCN(c3ncc4c(n3)CC[N@H+](Cc3ccccc3C)C4)CC2)cc1 ZINC000021640153 524439075 /nfs/dbraw/zinc/43/90/75/524439075.db2.gz AALOEJFJLYSMEM-UHFFFAOYSA-N 1 1 429.568 3.679 50 10 IHCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cccn4-c4cccnc4)C3)CC2)cc1 ZINC000096449029 557200222 /nfs/dbraw/zinc/20/02/22/557200222.db2.gz JVJLUKSUWOGKJJ-DEOSSOPVSA-N 1 1 431.584 3.668 50 10 IHCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccn4-c4cccnc4)C3)CC2)cc1 ZINC000096449029 557200228 /nfs/dbraw/zinc/20/02/28/557200228.db2.gz JVJLUKSUWOGKJJ-DEOSSOPVSA-N 1 1 431.584 3.668 50 10 IHCAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)c1 ZINC000014966912 556465770 /nfs/dbraw/zinc/46/57/70/556465770.db2.gz IRXQGEBQBZSAKO-GOSISDBHSA-N 1 1 442.556 3.727 50 10 IHCAMO O=C(NCc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000044910895 556680760 /nfs/dbraw/zinc/68/07/60/556680760.db2.gz QBDVJKLGOSIDJK-UHFFFAOYSA-N 1 1 445.966 3.844 50 10 IHCAMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C2CC2)cc1 ZINC000040155679 557706078 /nfs/dbraw/zinc/70/60/78/557706078.db2.gz XDIBKWKEEZGACV-UHFFFAOYSA-N 1 1 446.551 3.879 50 10 IHCAMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C2CC2)cc1 ZINC000040155679 557706082 /nfs/dbraw/zinc/70/60/82/557706082.db2.gz XDIBKWKEEZGACV-UHFFFAOYSA-N 1 1 446.551 3.879 50 10 IHCAMO C[C@H]1C[C@H](C)CN(c2cc(NCC[N@@H+](C)CCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641437 132324354 /nfs/dbraw/zinc/32/43/54/132324354.db2.gz STRQQDBSPDDDDU-IRXDYDNUSA-N 1 1 448.567 3.858 50 10 IHCAMO CCc1cc2c(C)cc(=O)oc2c(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)c1O ZINC000016876574 556647975 /nfs/dbraw/zinc/64/79/75/556647975.db2.gz HXKIUKFOVQMODL-UHFFFAOYSA-N 1 1 434.536 3.898 50 10 IHCAMO COCC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1c1cccc(OC)c1 ZINC000034740322 568824510 /nfs/dbraw/zinc/82/45/10/568824510.db2.gz XTFDACXCSJXCCZ-LADGPHEKSA-N 1 1 440.584 3.747 50 10 IHCAMO COCC[N@H+](Cc1c([O-])ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729131 568903548 /nfs/dbraw/zinc/90/35/48/568903548.db2.gz FGBIXBWMQSNIMN-SIKLNZKXSA-N 1 1 428.573 3.828 50 10 biogenic IHCAMO COCC[NH+](Cc1c([O-])ccc2c(C)c(C)c(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729131 568903549 /nfs/dbraw/zinc/90/35/49/568903549.db2.gz FGBIXBWMQSNIMN-SIKLNZKXSA-N 1 1 428.573 3.828 50 10 biogenic IHCAMO C[N@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000009118704 132226717 /nfs/dbraw/zinc/22/67/17/132226717.db2.gz LZZINVFPYVFCOJ-UHFFFAOYSA-N 1 1 436.600 3.974 50 10 IHCAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCCCC2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000009118704 132226718 /nfs/dbraw/zinc/22/67/18/132226718.db2.gz LZZINVFPYVFCOJ-UHFFFAOYSA-N 1 1 436.600 3.974 50 10 IHCAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)c3ccncc3)CC2)cc1 ZINC000020289576 524431817 /nfs/dbraw/zinc/43/18/17/524431817.db2.gz CZTKOBBWZNKJNP-WZONZLPQSA-N 1 1 436.581 3.834 50 10 IHCAMO O=S(=O)(c1ccc2c(c1)CCCC2)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000013062060 569308667 /nfs/dbraw/zinc/30/86/67/569308667.db2.gz GQDNIIZOAJLPKT-UHFFFAOYSA-N 1 1 436.577 3.931 50 10 IHCAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)c3cccnc3)CC2)cc1 ZINC000020289568 569359484 /nfs/dbraw/zinc/35/94/84/569359484.db2.gz BNANGOPFUUKKGX-FDDCHVKYSA-N 1 1 436.581 3.834 50 10 IHCAMO Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000008400677 132281463 /nfs/dbraw/zinc/28/14/63/132281463.db2.gz MATWTPZQKPKOEF-DEDYPNTBSA-N 1 1 430.533 3.937 50 10 IHCAMO C[C@@H]1C[C@H](C)CN(c2cc(NCC[N@@H+](C)CCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641433 132324393 /nfs/dbraw/zinc/32/43/93/132324393.db2.gz STRQQDBSPDDDDU-CALCHBBNSA-N 1 1 448.567 3.858 50 10 IHCAMO COC(=O)c1cc2ccccc2c(C[N@H+](Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1O ZINC000012990140 556428378 /nfs/dbraw/zinc/42/83/78/556428378.db2.gz PUHHSSVKDSKLIM-INIZCTEOSA-N 1 1 445.562 3.583 50 10 IHCAMO COC(=O)c1cc2ccccc2c(C[N@@H+](Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1O ZINC000012990140 556428382 /nfs/dbraw/zinc/42/83/82/556428382.db2.gz PUHHSSVKDSKLIM-INIZCTEOSA-N 1 1 445.562 3.583 50 10 IHCAMO O=C(c1ccco1)c1coc2ccc(O)c(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12 ZINC000225424670 569299910 /nfs/dbraw/zinc/29/99/10/569299910.db2.gz RPYTXNJABMZOIK-CVEARBPZSA-N 1 1 430.460 3.743 50 10 biogenic IHCAMO O=C(c1ccco1)c1coc2ccc(O)c(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c12 ZINC000225424670 569299911 /nfs/dbraw/zinc/29/99/11/569299911.db2.gz RPYTXNJABMZOIK-CVEARBPZSA-N 1 1 430.460 3.743 50 10 biogenic IHCAMO Oc1ccccc1C[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C[C@@H]1CCCO1 ZINC000009493298 569540687 /nfs/dbraw/zinc/54/06/87/569540687.db2.gz QZJLBKZWIMPBMG-ICSRJNTNSA-N 1 1 436.346 3.576 50 10 IHCAMO Oc1ccccc1C[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C[C@H]1CCCO1 ZINC000239402683 526371265 /nfs/dbraw/zinc/37/12/65/526371265.db2.gz QZJLBKZWIMPBMG-UYAOXDASSA-N 1 1 436.346 3.576 50 10 IHCAMO COC(=O)c1cc2ccccc2c(C[N@H+](Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000012990136 556428286 /nfs/dbraw/zinc/42/82/86/556428286.db2.gz PUHHSSVKDSKLIM-MRXNPFEDSA-N 1 1 445.562 3.583 50 10 IHCAMO COC(=O)c1cc2ccccc2c(C[N@@H+](Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000012990136 556428289 /nfs/dbraw/zinc/42/82/89/556428289.db2.gz PUHHSSVKDSKLIM-MRXNPFEDSA-N 1 1 445.562 3.583 50 10 IHCAMO COc1ccc2ccc(O)c(C[NH+]3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)c2c1 ZINC000013059089 556450122 /nfs/dbraw/zinc/45/01/22/556450122.db2.gz OHQQRFQKKNSGQY-UHFFFAOYSA-N 1 1 440.565 3.677 50 10 IHCAMO CCOc1cccc(CN2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1O ZINC000019228394 556717300 /nfs/dbraw/zinc/71/73/00/556717300.db2.gz LXBWSJQTSGQHJU-OAQYLSRUSA-N 1 1 428.573 3.947 50 10 IHCAMO CCOc1cccc(C[N@@H+]2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1O ZINC000019228394 556717301 /nfs/dbraw/zinc/71/73/01/556717301.db2.gz LXBWSJQTSGQHJU-OAQYLSRUSA-N 1 1 428.573 3.947 50 10 IHCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1O ZINC000019228394 556717303 /nfs/dbraw/zinc/71/73/03/556717303.db2.gz LXBWSJQTSGQHJU-OAQYLSRUSA-N 1 1 428.573 3.947 50 10 IHCAMO COCC[N@H+](Cc1cc2c(C)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524730656 569126040 /nfs/dbraw/zinc/12/60/40/569126040.db2.gz RLIITQGLILXDSN-SIKLNZKXSA-N 1 1 428.573 3.828 50 10 biogenic IHCAMO COCC[NH+](Cc1cc2c(C)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524730656 569126041 /nfs/dbraw/zinc/12/60/41/569126041.db2.gz RLIITQGLILXDSN-SIKLNZKXSA-N 1 1 428.573 3.828 50 10 biogenic IHCAMO COCC[NH+](Cc1cc2c(C)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524730656 569126042 /nfs/dbraw/zinc/12/60/42/569126042.db2.gz RLIITQGLILXDSN-SIKLNZKXSA-N 1 1 428.573 3.828 50 10 biogenic IHCAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000008779819 569475579 /nfs/dbraw/zinc/47/55/79/569475579.db2.gz PUEYXWHTVVVONK-MRXNPFEDSA-N 1 1 440.613 3.785 50 10 IHCAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000008779819 569475580 /nfs/dbraw/zinc/47/55/80/569475580.db2.gz PUEYXWHTVVVONK-MRXNPFEDSA-N 1 1 440.613 3.785 50 10 IHCAMO C[C@@H]1C[C@@H](C)CN(c2cc(NCC[N@@H+](C)CCO)c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000009641442 132324419 /nfs/dbraw/zinc/32/44/19/132324419.db2.gz STRQQDBSPDDDDU-IAGOWNOFSA-N 1 1 448.567 3.858 50 10 IHCAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(OC)c3O)C2)c(OC)c1 ZINC000012464065 524048300 /nfs/dbraw/zinc/04/83/00/524048300.db2.gz YHVOZPGTDJZOAK-GOSISDBHSA-N 1 1 442.556 3.727 50 10 IHCAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)c3ccncc3)CC2)cc1 ZINC000020289579 569359481 /nfs/dbraw/zinc/35/94/81/569359481.db2.gz CZTKOBBWZNKJNP-MBSDFSHPSA-N 1 1 436.581 3.834 50 10 IHCAMO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)Cc1ccc(N3CCCCC3)cc1)CC2 ZINC000015571635 556535683 /nfs/dbraw/zinc/53/56/83/556535683.db2.gz KRMAAWOHTPRROC-UHFFFAOYSA-N 1 1 437.584 3.711 50 10 IHCAMO c1ccc(N2CCN([C@H]3CCC[N@H+](C4CCN(c5ccc6c(c5)OCO6)CC4)C3)CC2)cc1 ZINC000019958433 556954991 /nfs/dbraw/zinc/95/49/91/556954991.db2.gz PDMCNMZZOPDZBO-VWLOTQADSA-N 1 1 448.611 3.671 50 10 IHCAMO CCN(C)C(=O)c1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC000089960830 569169093 /nfs/dbraw/zinc/16/90/93/569169093.db2.gz UAGJEJDVRXQIGC-FQEVSTJZSA-N 1 1 429.948 3.532 50 10 IHCAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)c3ccncc3)CC2)cc1 ZINC000020289572 569359451 /nfs/dbraw/zinc/35/94/51/569359451.db2.gz CZTKOBBWZNKJNP-JPYJTQIMSA-N 1 1 436.581 3.834 50 10 IHCAMO COc1cc(O)c(C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1OC ZINC000095446133 569367310 /nfs/dbraw/zinc/36/73/10/569367310.db2.gz WCNUNJDWWMFMEV-UHFFFAOYSA-N 1 1 431.842 3.799 50 10 IHCAMO CCOC(=O)Nc1ccc2c(C[NH+]3CCN(c4ccc(OC)cc4)CC3)cc(=O)oc2c1 ZINC000057548119 569439575 /nfs/dbraw/zinc/43/95/75/569439575.db2.gz JMKISTPRBKLDCO-UHFFFAOYSA-N 1 1 437.496 3.692 50 10 IHCAMO Cc1ccc(NC(=O)c2coc(CN3CC[NH+](Cc4ccc(N(C)C)cc4)CC3)n2)cc1C ZINC000034678166 555796854 /nfs/dbraw/zinc/79/68/54/555796854.db2.gz UDANXELYHOWUPV-UHFFFAOYSA-N 1 1 447.583 3.928 50 10 IHCAMO Cc1c2cc(C[NH2+]CCCN3CCOCC3)c(O)c(C)c2oc(=O)c1Cc1ccccc1 ZINC000013608338 556533748 /nfs/dbraw/zinc/53/37/48/556533748.db2.gz BDRFNSKFROTYGZ-UHFFFAOYSA-N 1 1 436.552 3.518 50 10 IHCAMO COc1ccc2ccc(O)c(CN3c4ccccc4CC[C@H]3C(=O)N3CC[NH+](C)CC3)c2c1 ZINC000083881684 568784359 /nfs/dbraw/zinc/78/43/59/568784359.db2.gz KRXCQNZGLDKOGL-VWLOTQADSA-N 1 1 445.563 3.649 50 10 IHCAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)c3cccnc3)CC2)cc1 ZINC000020289560 569359437 /nfs/dbraw/zinc/35/94/37/569359437.db2.gz BNANGOPFUUKKGX-JPYJTQIMSA-N 1 1 436.581 3.834 50 10 IHCAMO Cc1cc(C(=O)C[N@H+]2CCC[C@H]2c2cccs2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000057903287 569442649 /nfs/dbraw/zinc/44/26/49/569442649.db2.gz PCHGUAAORRZIEH-FQEVSTJZSA-N 1 1 443.594 3.823 50 10 IHCAMO