smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000004237325 291381764 /nfs/dbraw/zinc/38/17/64/291381764.db2.gz VKCPPUWDFOWZSZ-RBBKRZOGSA-N 2 1 431.555 4.335 40 0 biogenic,in-vitro IIABMP O[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000585272986 557215507 /nfs/dbraw/zinc/21/55/07/557215507.db2.gz PWXLUWUAQQTMSX-SANMLTNESA-N 2 1 442.575 4.096 40 0 IIABMP C[NH+]1CCC(Oc2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc2)CC1 ZINC000222602453 557359834 /nfs/dbraw/zinc/35/98/34/557359834.db2.gz ISGJIMKRNIMIJY-HXUWFJFHSA-N 2 1 425.548 4.149 40 0 IIABMP C[NH+]1CCC(Oc2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc2)CC1 ZINC000222602518 557360201 /nfs/dbraw/zinc/36/02/01/557360201.db2.gz ISGJIMKRNIMIJY-FQEVSTJZSA-N 2 1 425.548 4.149 40 0 IIABMP COc1cccc(C[NH+]2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)c1 ZINC000019587692 556823890 /nfs/dbraw/zinc/82/38/90/556823890.db2.gz RMINRNAZUULCEG-HYBUGGRVSA-N 2 1 425.548 4.005 40 0 IIABMP COc1cccc(-c2ccc(C[N@H+](C)Cc3cc(N(C)C)nc(C4CC[NH2+]CC4)n3)cc2)c1 ZINC000019710127 556871903 /nfs/dbraw/zinc/87/19/03/556871903.db2.gz AGEHVOYONMKIND-UHFFFAOYSA-N 2 1 445.611 4.317 40 0 IIABMP COc1cccc(-c2ccc(C[N@@H+](C)Cc3cc(N(C)C)nc(C4CC[NH2+]CC4)n3)cc2)c1 ZINC000019710127 556871906 /nfs/dbraw/zinc/87/19/06/556871906.db2.gz AGEHVOYONMKIND-UHFFFAOYSA-N 2 1 445.611 4.317 40 0 IIABMP CN(C)c1cc([C@@H]2CCC[NH2+]C2)nc(C[N@@H+](C)CC(c2ccccc2)c2ccccc2)n1 ZINC000019710047 556871973 /nfs/dbraw/zinc/87/19/73/556871973.db2.gz LVZIGMQAFQWRCB-HSZRJFAPSA-N 2 1 429.612 4.274 40 0 IIABMP Cc1ccc(C)n1-n1c(CCC[NH+]2CCC[C@@H](C)C2)nnc1CCC[N@@H+]1CCC[C@@H](C)C1 ZINC000225152714 557693005 /nfs/dbraw/zinc/69/30/05/557693005.db2.gz ONAPOUAUOOJJDT-FGZHOGPDSA-N 2 1 440.680 4.337 40 0 IIABMP C[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)cc2)CC1 ZINC000225588429 557748198 /nfs/dbraw/zinc/74/81/98/557748198.db2.gz DWUSPQWFCRLTBW-UHFFFAOYSA-N 2 1 444.982 4.082 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[N@@H+](Cc3sccc3C)C2)[NH+](C)C1 ZINC000248141247 569207355 /nfs/dbraw/zinc/20/73/55/569207355.db2.gz QFKOPQAROXMRJR-ZVDOUQERSA-N 2 1 427.614 4.236 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[NH+](Cc3sccc3C)C2)[N@H+](C)C1 ZINC000248141247 569207357 /nfs/dbraw/zinc/20/73/57/569207357.db2.gz QFKOPQAROXMRJR-ZVDOUQERSA-N 2 1 427.614 4.236 40 0 IIABMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038830719 556621211 /nfs/dbraw/zinc/62/12/11/556621211.db2.gz HWAJGWMEYOWUCO-HSZRJFAPSA-N 2 1 426.004 4.464 40 0 IIABMP COc1ccc(NC(=O)[C@@H]2C[C@H](C3CC[NH+](Cc4cccc(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587686 556824165 /nfs/dbraw/zinc/82/41/65/556824165.db2.gz VBBJXKKVJZYQLL-HYBUGGRVSA-N 2 1 425.548 4.005 40 0 IIABMP CC[NH+]1CCC(CC(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)CC1 ZINC000072372734 556944173 /nfs/dbraw/zinc/94/41/73/556944173.db2.gz WXSRMCFLNDWOQF-HSZRJFAPSA-N 2 1 436.604 4.326 40 0 IIABMP Cc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585271508 557213323 /nfs/dbraw/zinc/21/33/23/557213323.db2.gz AILSDGDDCFMRTN-AREMUKBSSA-N 2 1 435.568 4.067 40 0 IIABMP Cc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585271508 557213327 /nfs/dbraw/zinc/21/33/27/557213327.db2.gz AILSDGDDCFMRTN-AREMUKBSSA-N 2 1 435.568 4.067 40 0 IIABMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000224799392 557652397 /nfs/dbraw/zinc/65/23/97/557652397.db2.gz AYKGJQDMYCLTLO-HSZRJFAPSA-N 2 1 426.004 4.464 40 0 IIABMP C[N@H+]1CCN(C(=O)c2ccccc2C[NH+]2CCCC2)C[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257277585 568700941 /nfs/dbraw/zinc/70/09/41/568700941.db2.gz NYOCRGHEZVABGV-QHCPKHFHSA-N 2 1 442.607 4.077 40 0 IIABMP COc1cccc(C[NH+]2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)c1 ZINC000019587694 569227264 /nfs/dbraw/zinc/22/72/64/569227264.db2.gz RMINRNAZUULCEG-RDPSFJRHSA-N 2 1 425.548 4.005 40 0 IIABMP CC[NH+]1CCC(CC(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)CC1 ZINC000072372735 556944306 /nfs/dbraw/zinc/94/43/06/556944306.db2.gz WXSRMCFLNDWOQF-QHCPKHFHSA-N 2 1 436.604 4.326 40 0 IIABMP C[C@@H]1C[C@@H](C)C[NH+](CCCc2nnc(CCC[N@@H+]3[C@H](C)CCC[C@@H]3C)n2-n2cccc2)C1 ZINC000260572224 557492530 /nfs/dbraw/zinc/49/25/30/557492530.db2.gz LHWIMKIAPMVBHF-YCAMKHIRSA-N 2 1 440.680 4.497 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)[NH+](C)C1 ZINC000019587535 557501244 /nfs/dbraw/zinc/50/12/44/557501244.db2.gz PRHIXVSQKXXKFU-TXTKFYIRSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)[NH+](C)C1 ZINC000019587535 557501247 /nfs/dbraw/zinc/50/12/47/557501247.db2.gz PRHIXVSQKXXKFU-TXTKFYIRSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)[N@H+](C)C1 ZINC000019587535 557501249 /nfs/dbraw/zinc/50/12/49/557501249.db2.gz PRHIXVSQKXXKFU-TXTKFYIRSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)[N@@H+](C)C1 ZINC000019587535 557501252 /nfs/dbraw/zinc/50/12/52/557501252.db2.gz PRHIXVSQKXXKFU-TXTKFYIRSA-N 2 1 425.548 4.005 40 0 IIABMP CO[C@@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000585271059 568617812 /nfs/dbraw/zinc/61/78/12/568617812.db2.gz GHCOEGRAUNLNIJ-VWLOTQADSA-N 2 1 430.564 4.216 40 0 IIABMP C[N@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000257266518 568696116 /nfs/dbraw/zinc/69/61/16/568696116.db2.gz MDIMSMIMWUVECV-NLMMERCGSA-N 2 1 449.614 4.390 40 0 IIABMP C[N@@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000257266518 568696120 /nfs/dbraw/zinc/69/61/20/568696120.db2.gz MDIMSMIMWUVECV-NLMMERCGSA-N 2 1 449.614 4.390 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[N@@H+](Cc3sccc3C)C2)[NH+](C)C1 ZINC000019238626 569226473 /nfs/dbraw/zinc/22/64/73/569226473.db2.gz QFKOPQAROXMRJR-SFHLNBCPSA-N 2 1 427.614 4.236 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[NH+](Cc3sccc3C)C2)[N@H+](C)C1 ZINC000019238626 569226474 /nfs/dbraw/zinc/22/64/74/569226474.db2.gz QFKOPQAROXMRJR-SFHLNBCPSA-N 2 1 427.614 4.236 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[NH+](Cc3sccc3C)C2)[N@@H+](C)C1 ZINC000019238626 569226475 /nfs/dbraw/zinc/22/64/75/569226475.db2.gz QFKOPQAROXMRJR-SFHLNBCPSA-N 2 1 427.614 4.236 40 0 IIABMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Br)c1OCc1ccccc1F ZINC000008254135 556155011 /nfs/dbraw/zinc/15/50/11/556155011.db2.gz NCYFBVBOVQNVJX-UHFFFAOYSA-N 2 1 425.342 4.265 40 0 IIABMP Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CC[NH+](C)CC4)c4ccccc43)CC2)s1 ZINC000096052933 557166464 /nfs/dbraw/zinc/16/64/64/557166464.db2.gz RKCBDKQMFSALJJ-NRFANRHFSA-N 2 1 437.653 4.242 40 0 IIABMP CCC1CC[NH+](CCC2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)CC1 ZINC000096900169 557206264 /nfs/dbraw/zinc/20/62/64/557206264.db2.gz FPHANIDUEVFWCI-QFIPXVFZSA-N 2 1 449.998 4.335 40 0 IIABMP COc1ccc(NC(=O)[C@H]2C[C@@H](C3CC[NH+](Cc4cccc(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587684 569227237 /nfs/dbraw/zinc/22/72/37/569227237.db2.gz VBBJXKKVJZYQLL-RDPSFJRHSA-N 2 1 425.548 4.005 40 0 IIABMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038830755 556621660 /nfs/dbraw/zinc/62/16/60/556621660.db2.gz UDWZOPIFAYBTEN-QHCPKHFHSA-N 2 1 426.004 4.464 40 0 IIABMP Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3cccc(OCC[NH+]4CCCC4)c3)CC2)cc1 ZINC000585281030 557220797 /nfs/dbraw/zinc/22/07/97/557220797.db2.gz VLMPYMIRHCDPKL-HHHXNRCGSA-N 2 1 438.612 4.266 40 0 IIABMP Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2cccc(OCC[NH+]3CCCCC3)c2)c(C)c1 ZINC000585270969 568617564 /nfs/dbraw/zinc/61/75/64/568617564.db2.gz CRQKRBCQNVRMSA-XMMPIXPASA-N 2 1 426.601 4.040 40 0 IIABMP Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccc(OCC[NH+]3CCCCC3)c2)c(C)c1 ZINC000585270966 568617837 /nfs/dbraw/zinc/61/78/37/568617837.db2.gz CRQKRBCQNVRMSA-DEOSSOPVSA-N 2 1 426.601 4.040 40 0 IIABMP C[N@H+]1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C1CC[NH+](Cc2ccncc2)CC1 ZINC000019587749 556823983 /nfs/dbraw/zinc/82/39/83/556823983.db2.gz LYCQLEGBIQIYBV-DENIHFKCSA-N 2 1 446.517 4.271 40 0 IIABMP Cn1c(C[N@@H+]2CCc3ccccc3C2)cc(=O)c(O)c1C[NH+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000096116290 557837938 /nfs/dbraw/zinc/83/79/38/557837938.db2.gz HJEJCUCBSCBGCE-CUNXSJBXSA-N 2 1 435.612 4.050 40 0 IIABMP Cn1c(C[N@H+]2CCc3ccccc3C2)cc(=O)c(O)c1C[NH+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000096116290 557837940 /nfs/dbraw/zinc/83/79/40/557837940.db2.gz HJEJCUCBSCBGCE-CUNXSJBXSA-N 2 1 435.612 4.050 40 0 IIABMP Cn1c(C[NH+]2CCc3ccccc3C2)cc(=O)c(O)c1C[N@@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000096116290 557837941 /nfs/dbraw/zinc/83/79/41/557837941.db2.gz HJEJCUCBSCBGCE-CUNXSJBXSA-N 2 1 435.612 4.050 40 0 IIABMP Cn1c(C[NH+]2CCc3ccccc3C2)cc(=O)c(O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000096116290 557837943 /nfs/dbraw/zinc/83/79/43/557837943.db2.gz HJEJCUCBSCBGCE-CUNXSJBXSA-N 2 1 435.612 4.050 40 0 IIABMP Cc1[nH+]ccn1CCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)c1 ZINC000585270931 568617830 /nfs/dbraw/zinc/61/78/30/568617830.db2.gz DRUOEOMSRCZPHD-HHHXNRCGSA-N 2 1 449.595 4.375 40 0 IIABMP Cc1[nH+]ccn1CCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)c1 ZINC000585270931 568617831 /nfs/dbraw/zinc/61/78/31/568617831.db2.gz DRUOEOMSRCZPHD-HHHXNRCGSA-N 2 1 449.595 4.375 40 0 IIABMP Cc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585274777 568618611 /nfs/dbraw/zinc/61/86/11/568618611.db2.gz ZLLRMFRKRUBJCV-MHZLTWQESA-N 2 1 449.595 4.375 40 0 IIABMP Cc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585274777 568618615 /nfs/dbraw/zinc/61/86/15/568618615.db2.gz ZLLRMFRKRUBJCV-MHZLTWQESA-N 2 1 449.595 4.375 40 0 IIABMP COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587644 569227172 /nfs/dbraw/zinc/22/71/72/569227172.db2.gz JRHLZFNEQBHRMP-DVECYGJZSA-N 2 1 443.538 4.144 40 0 IIABMP COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587644 569227174 /nfs/dbraw/zinc/22/71/74/569227174.db2.gz JRHLZFNEQBHRMP-DVECYGJZSA-N 2 1 443.538 4.144 40 0 IIABMP O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000584906210 556664378 /nfs/dbraw/zinc/66/43/78/556664378.db2.gz LWMLVHLUGJWFLP-UHFFFAOYSA-N 2 1 438.538 4.230 40 0 IIABMP COc1ccc(C[NH+]2CCC([C@]3(C)CCCCN(C)C3=O)CC2)cc1Cn1cc[nH+]c1C ZINC000072372049 556941583 /nfs/dbraw/zinc/94/15/83/556941583.db2.gz VBNYPTLVJCAHBU-SANMLTNESA-N 2 1 438.616 4.109 40 0 IIABMP Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)c(C)c1 ZINC000585271046 568617522 /nfs/dbraw/zinc/61/75/22/568617522.db2.gz GBKVJOIOBQCFIA-SANMLTNESA-N 2 1 426.601 4.040 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[N@@H+](Cc3sccc3C)C2)[NH+](C)C1 ZINC000019238624 569226406 /nfs/dbraw/zinc/22/64/06/569226406.db2.gz QFKOPQAROXMRJR-SBHAEUEKSA-N 2 1 427.614 4.236 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[NH+](Cc3sccc3C)C2)[N@H+](C)C1 ZINC000019238624 569226407 /nfs/dbraw/zinc/22/64/07/569226407.db2.gz QFKOPQAROXMRJR-SBHAEUEKSA-N 2 1 427.614 4.236 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[NH+](Cc3sccc3C)C2)[N@@H+](C)C1 ZINC000019238624 569226408 /nfs/dbraw/zinc/22/64/08/569226408.db2.gz QFKOPQAROXMRJR-SBHAEUEKSA-N 2 1 427.614 4.236 40 0 IIABMP Cc1[nH+]ccn1CCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)c1 ZINC000585270932 568617748 /nfs/dbraw/zinc/61/77/48/568617748.db2.gz DRUOEOMSRCZPHD-MHZLTWQESA-N 2 1 449.595 4.375 40 0 IIABMP Cc1[nH+]ccn1CCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccc(C)cc3)CC2)c1 ZINC000585270932 568617752 /nfs/dbraw/zinc/61/77/52/568617752.db2.gz DRUOEOMSRCZPHD-MHZLTWQESA-N 2 1 449.595 4.375 40 0 IIABMP C[N@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000257248312 568687475 /nfs/dbraw/zinc/68/74/75/568687475.db2.gz JDBUASNHQWTFSM-AMVJKZIMSA-N 2 1 435.587 4.000 40 0 IIABMP C[N@@H+](CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1)Cc1ccc(F)cc1 ZINC000257248312 568687477 /nfs/dbraw/zinc/68/74/77/568687477.db2.gz JDBUASNHQWTFSM-AMVJKZIMSA-N 2 1 435.587 4.000 40 0 IIABMP Cc1cc(Nc2cnccn2)cc(C2CC[NH+](CC(=O)N3CCCc4ccccc43)CC2)[nH+]1 ZINC000257300956 568711610 /nfs/dbraw/zinc/71/16/10/568711610.db2.gz RWIYOJNMJFUZNO-UHFFFAOYSA-N 2 1 442.567 4.082 40 0 IIABMP N=C(NC1CCC(C2CCC([NH3+])CC2)CC1)C(=[NH2+])NC1CCC(C2CCC([NH3+])CC2)CC1 ZINC000005187985 556036103 /nfs/dbraw/zinc/03/61/03/556036103.db2.gz XHIRHXNKGZVKIJ-UHFFFAOYSA-N 3 1 444.712 4.273 40 0 IIABMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019083891 556698286 /nfs/dbraw/zinc/69/82/86/556698286.db2.gz VBGFQZGPGIBXEB-KURKYZTESA-N 2 1 425.612 4.471 40 0 IIABMP CCOc1ccc(C[N@@H+]2Cc3cc(OC)ccc3O[C@]3(CCC[NH+](C)CC3)C2)cc1OC ZINC000072394511 556965884 /nfs/dbraw/zinc/96/58/84/556965884.db2.gz PAHDQTYXCGTKOH-SANMLTNESA-N 2 1 440.584 4.352 40 0 IIABMP CCOc1ccc(C[N@H+]2Cc3cc(OC)ccc3O[C@]3(CCC[NH+](C)CC3)C2)cc1OC ZINC000072394511 556965887 /nfs/dbraw/zinc/96/58/87/556965887.db2.gz PAHDQTYXCGTKOH-SANMLTNESA-N 2 1 440.584 4.352 40 0 IIABMP CCOc1ccc(C[NH+]2Cc3cc(OC)ccc3O[C@]3(CCC[N@H+](C)CC3)C2)cc1OC ZINC000072394511 556965890 /nfs/dbraw/zinc/96/58/90/556965890.db2.gz PAHDQTYXCGTKOH-SANMLTNESA-N 2 1 440.584 4.352 40 0 IIABMP CCOc1ccc(C[NH+]2Cc3cc(OC)ccc3O[C@]3(CCC[N@@H+](C)CC3)C2)cc1OC ZINC000072394511 556965894 /nfs/dbraw/zinc/96/58/94/556965894.db2.gz PAHDQTYXCGTKOH-SANMLTNESA-N 2 1 440.584 4.352 40 0 IIABMP CCc1[nH+]ccn1CCOc1cccc(C[NH+]2CCC(O)(COc3ccc(C)cc3)CC2)c1 ZINC000585271592 557213363 /nfs/dbraw/zinc/21/33/63/557213363.db2.gz AVMXYBSXERWZRV-UHFFFAOYSA-N 2 1 449.595 4.239 40 0 IIABMP C[N@H+]1CCN(C(=O)c2ccccc2C[NH+]2CCCC2)C[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257277584 568701119 /nfs/dbraw/zinc/70/11/19/568701119.db2.gz NYOCRGHEZVABGV-HSZRJFAPSA-N 2 1 442.607 4.077 40 0 IIABMP COc1ccc([C@]2(CC[NH2+]Cc3ccc(OC)c(OC)c3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000012652961 569304714 /nfs/dbraw/zinc/30/47/14/569304714.db2.gz JPXNLMLEBRFIDG-CUVVAGTFSA-N 2 1 426.601 4.490 40 0 IIABMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038830757 556621772 /nfs/dbraw/zinc/62/17/72/556621772.db2.gz UDWZOPIFAYBTEN-HSZRJFAPSA-N 2 1 426.004 4.464 40 0 IIABMP COc1cccc(C[NH+]2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)c1 ZINC000019587696 556824030 /nfs/dbraw/zinc/82/40/30/556824030.db2.gz RMINRNAZUULCEG-GBXCKJPGSA-N 2 1 425.548 4.005 40 0 IIABMP C[NH+]1CCN(C(=O)C[C@H]2CC3(CC[NH+](Cc4ccc(F)cc4)CC3)c3ccccc32)CC1 ZINC000096052938 557166445 /nfs/dbraw/zinc/16/64/45/557166445.db2.gz WTTTXIQGHMMCER-QFIPXVFZSA-N 2 1 435.587 4.011 40 0 IIABMP Cc1[nH+]ccn1CCCOc1ccc(C[NH+]2CCC(O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585271846 557216212 /nfs/dbraw/zinc/21/62/12/557216212.db2.gz DLUBUGZJEXEUOK-UHFFFAOYSA-N 2 1 449.595 4.375 40 0 IIABMP Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3cccc(OCC[NH+]4CCCC4)c3)CC2)cc1 ZINC000585281032 557220918 /nfs/dbraw/zinc/22/09/18/557220918.db2.gz VLMPYMIRHCDPKL-MHZLTWQESA-N 2 1 438.612 4.266 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[N@@H+](Cc3sccc3C)C2)[NH+](C)C1 ZINC000248141243 569207315 /nfs/dbraw/zinc/20/73/15/569207315.db2.gz QFKOPQAROXMRJR-QKNQBKEWSA-N 2 1 427.614 4.236 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[NH+](Cc3sccc3C)C2)[N@H+](C)C1 ZINC000248141243 569207316 /nfs/dbraw/zinc/20/73/16/569207316.db2.gz QFKOPQAROXMRJR-QKNQBKEWSA-N 2 1 427.614 4.236 40 0 IIABMP C[N@H+]1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1C1CC[NH+](Cc2ccncc2)CC1 ZINC000019587747 556824115 /nfs/dbraw/zinc/82/41/15/556824115.db2.gz LYCQLEGBIQIYBV-SIKLNZKXSA-N 2 1 446.517 4.271 40 0 IIABMP CN(C)c1cc([C@H]2CCC[NH2+]C2)nc(C[N@@H+](C)CC(c2ccccc2)c2ccccc2)n1 ZINC000019710048 556871889 /nfs/dbraw/zinc/87/18/89/556871889.db2.gz LVZIGMQAFQWRCB-QHCPKHFHSA-N 2 1 429.612 4.274 40 0 IIABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccc(Cl)cc4)CC2)C[N@@H+](C)C3)cc1 ZINC000306129069 568765454 /nfs/dbraw/zinc/76/54/54/568765454.db2.gz HTUQMELMMYPUHI-UHFFFAOYSA-N 2 1 437.975 4.044 40 0 IIABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccc(Cl)cc4)CC2)C[N@H+](C)C3)cc1 ZINC000306129069 568765455 /nfs/dbraw/zinc/76/54/55/568765455.db2.gz HTUQMELMMYPUHI-UHFFFAOYSA-N 2 1 437.975 4.044 40 0 IIABMP Cc1[nH+]ccn1CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3cc(C)cc(C(C)C)c3)C2)cc1 ZINC000585268844 557210389 /nfs/dbraw/zinc/21/03/89/557210389.db2.gz UXMKZBAOMQPRFC-SVBPBHIXSA-N 2 1 449.595 4.326 40 0 IIABMP Cc1[nH+]ccn1CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cc(C)cc(C(C)C)c3)C2)cc1 ZINC000585268844 557210392 /nfs/dbraw/zinc/21/03/92/557210392.db2.gz UXMKZBAOMQPRFC-SVBPBHIXSA-N 2 1 449.595 4.326 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)[NH+](C)C1 ZINC000248139046 569207295 /nfs/dbraw/zinc/20/72/95/569207295.db2.gz PRHIXVSQKXXKFU-MZKRTTBSSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)[NH+](C)C1 ZINC000248139046 569207296 /nfs/dbraw/zinc/20/72/96/569207296.db2.gz PRHIXVSQKXXKFU-MZKRTTBSSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[NH+](Cc3ccc(F)cc3)C2)[N@H+](C)C1 ZINC000248139046 569207297 /nfs/dbraw/zinc/20/72/97/569207297.db2.gz PRHIXVSQKXXKFU-MZKRTTBSSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[NH+](Cc3ccc(F)cc3)C2)[N@@H+](C)C1 ZINC000248139046 569207298 /nfs/dbraw/zinc/20/72/98/569207298.db2.gz PRHIXVSQKXXKFU-MZKRTTBSSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CC[NH+](C)CC4)C=C3C)[nH]c2n1 ZINC000072320900 291384012 /nfs/dbraw/zinc/38/40/12/291384012.db2.gz BDASBFXOOQKJLD-ZJOUEHCJSA-N 2 1 425.621 4.047 40 0 biogenic,in-vitro IIABMP C[C@@H]1C[C@H](C)C[N@H+](CCCc2nnc(CCC[NH+]3[C@H](C)CCC[C@H]3C)n2-n2cccc2)C1 ZINC000260572212 557492563 /nfs/dbraw/zinc/49/25/63/557492563.db2.gz LHWIMKIAPMVBHF-UEQSERJNSA-N 2 1 440.680 4.497 40 0 IIABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccc(Cl)c4)CC2)C[N@@H+](C)C3)cc1 ZINC000306125135 568763779 /nfs/dbraw/zinc/76/37/79/568763779.db2.gz CHYRCEUYLMUELH-UHFFFAOYSA-N 2 1 437.975 4.044 40 0 IIABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccc(Cl)c4)CC2)C[N@H+](C)C3)cc1 ZINC000306125135 568763780 /nfs/dbraw/zinc/76/37/80/568763780.db2.gz CHYRCEUYLMUELH-UHFFFAOYSA-N 2 1 437.975 4.044 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)[NH+](C)C1 ZINC000019587531 569227274 /nfs/dbraw/zinc/22/72/74/569227274.db2.gz PRHIXVSQKXXKFU-VIZSFHNOSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)[NH+](C)C1 ZINC000019587531 569227275 /nfs/dbraw/zinc/22/72/75/569227275.db2.gz PRHIXVSQKXXKFU-VIZSFHNOSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)[N@H+](C)C1 ZINC000019587531 569227276 /nfs/dbraw/zinc/22/72/76/569227276.db2.gz PRHIXVSQKXXKFU-VIZSFHNOSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[NH+](Cc3ccc(F)cc3)C2)[N@@H+](C)C1 ZINC000019587531 569227277 /nfs/dbraw/zinc/22/72/77/569227277.db2.gz PRHIXVSQKXXKFU-VIZSFHNOSA-N 2 1 425.548 4.005 40 0 IIABMP Cc1ccc(C)n1-n1c(CCC[NH+]2CCC[C@H](C)C2)nnc1CCC[N@@H+]1CCC[C@H](C)C1 ZINC000260572351 557492543 /nfs/dbraw/zinc/49/25/43/557492543.db2.gz ONAPOUAUOOJJDT-VXKWHMMOSA-N 2 1 440.680 4.337 40 0 IIABMP COc1ccc([C@]2(CC[NH2+]Cc3ccc(OC)c(OC)c3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004023298 557530415 /nfs/dbraw/zinc/53/04/15/557530415.db2.gz JPXNLMLEBRFIDG-BVFVYWQFSA-N 2 1 426.601 4.490 40 0 IIABMP Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)c(C)c1 ZINC000585271045 568617823 /nfs/dbraw/zinc/61/78/23/568617823.db2.gz GBKVJOIOBQCFIA-AREMUKBSSA-N 2 1 426.601 4.040 40 0 IIABMP O[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000585272979 568618178 /nfs/dbraw/zinc/61/81/78/568618178.db2.gz PWXLUWUAQQTMSX-AREMUKBSSA-N 2 1 442.575 4.096 40 0 IIABMP CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CC[N@H+](Cc1ccccc1-c1ccccc1OC)C2 ZINC000019707111 569327416 /nfs/dbraw/zinc/32/74/16/569327416.db2.gz WZKKYPIAVPRVNN-QFIPXVFZSA-N 2 1 429.568 4.177 40 0 IIABMP CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CC[N@@H+](Cc1ccccc1-c1ccccc1OC)C2 ZINC000019707111 569327417 /nfs/dbraw/zinc/32/74/17/569327417.db2.gz WZKKYPIAVPRVNN-QFIPXVFZSA-N 2 1 429.568 4.177 40 0 IIABMP CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072374954 556949647 /nfs/dbraw/zinc/94/96/47/556949647.db2.gz ANZPKEMTABBXLV-HXUWFJFHSA-N 2 1 432.572 4.392 40 0 IIABMP Cc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585274264 557218347 /nfs/dbraw/zinc/21/83/47/557218347.db2.gz UWSCTYZVTPNSAY-AREMUKBSSA-N 2 1 435.568 4.067 40 0 IIABMP Cc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585274264 557218349 /nfs/dbraw/zinc/21/83/49/557218349.db2.gz UWSCTYZVTPNSAY-AREMUKBSSA-N 2 1 435.568 4.067 40 0 IIABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000257218889 568673733 /nfs/dbraw/zinc/67/37/33/568673733.db2.gz DESNQWKHURUJGU-DEOSSOPVSA-N 2 1 445.567 4.028 40 0 IIABMP COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)Cn4cc[nH+]c4C(C)C)C3)c2)c1 ZINC000257232306 568680137 /nfs/dbraw/zinc/68/01/37/568680137.db2.gz GKHNKFMKQZESDQ-IBGZPJMESA-N 2 1 433.556 4.478 40 0 IIABMP CNc1cc(C[N@@H+](C)Cc2cccc(-c3cccc(OC)c3)c2)nc(C2CC[NH2+]CC2)n1 ZINC000019710170 569327559 /nfs/dbraw/zinc/32/75/59/569327559.db2.gz IXEOJSQPTQTOTL-UHFFFAOYSA-N 2 1 431.584 4.293 40 0 IIABMP CC[NH+](CC)CCNc1nc(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc(C)cc1)C2 ZINC000019526410 556784525 /nfs/dbraw/zinc/78/45/25/556784525.db2.gz CLVVWRJPHFYFBZ-UHFFFAOYSA-N 2 1 430.600 4.159 40 0 IIABMP CC[NH+](CC)CCNc1nc(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc(C)cc1)C2 ZINC000019526410 556784529 /nfs/dbraw/zinc/78/45/29/556784529.db2.gz CLVVWRJPHFYFBZ-UHFFFAOYSA-N 2 1 430.600 4.159 40 0 IIABMP CCc1[nH+]ccn1CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](Oc3ccc(C(C)C)cc3)C2)cc1 ZINC000585268839 557210212 /nfs/dbraw/zinc/21/02/12/557210212.db2.gz RQEQHHDZQXXLAL-UIOOFZCWSA-N 2 1 449.595 4.272 40 0 IIABMP CCc1[nH+]ccn1CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3ccc(C(C)C)cc3)C2)cc1 ZINC000585268839 557210215 /nfs/dbraw/zinc/21/02/15/557210215.db2.gz RQEQHHDZQXXLAL-UIOOFZCWSA-N 2 1 449.595 4.272 40 0 IIABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585273530 557215833 /nfs/dbraw/zinc/21/58/33/557215833.db2.gz PDDQNBKOFNHVDZ-MHZLTWQESA-N 2 1 449.595 4.321 40 0 IIABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585273530 557215836 /nfs/dbraw/zinc/21/58/36/557215836.db2.gz PDDQNBKOFNHVDZ-MHZLTWQESA-N 2 1 449.595 4.321 40 0 IIABMP CO[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000585271058 568617572 /nfs/dbraw/zinc/61/75/72/568617572.db2.gz GHCOEGRAUNLNIJ-RUZDIDTESA-N 2 1 430.564 4.216 40 0 IIABMP COc1c(C)cccc1C(=O)N1CCO[C@H](c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)C1 ZINC000257242900 568684971 /nfs/dbraw/zinc/68/49/71/568684971.db2.gz IEQUANACONZSRS-QFIPXVFZSA-N 2 1 432.524 4.368 40 0 IIABMP COc1ccc(C[N@H+]2[C@@H](c3ccccc3)C[C@@H]3NC(=O)CCC[C@H]32)cc1Cn1cc[nH+]c1C ZINC000019713917 569327803 /nfs/dbraw/zinc/32/78/03/569327803.db2.gz DVZVQPXPXWUZKE-ISJGIBHGSA-N 2 1 444.579 4.233 40 0 IIABMP COc1ccc(C[N@@H+]2[C@@H](c3ccccc3)C[C@@H]3NC(=O)CCC[C@H]32)cc1Cn1cc[nH+]c1C ZINC000019713917 569327804 /nfs/dbraw/zinc/32/78/04/569327804.db2.gz DVZVQPXPXWUZKE-ISJGIBHGSA-N 2 1 444.579 4.233 40 0 IIABMP Cc1ccccc1-c1ncc(C[NH+]2CCC(N3CC[NH+](Cc4ccccc4)CC3)CC2)cn1 ZINC000019237547 556722752 /nfs/dbraw/zinc/72/27/52/556722752.db2.gz BQTYVFDVGCUPRQ-UHFFFAOYSA-N 2 1 441.623 4.234 40 0 IIABMP Cc1[nH+]ccn1Cc1ccccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H]2[NH2+]CCCCC[C@@H]21 ZINC000585261860 557197313 /nfs/dbraw/zinc/19/73/13/557197313.db2.gz YNGLWMOKPKKEMR-GSDHBNRESA-N 2 1 428.580 4.380 40 0 IIABMP Cc1[nH+]ccn1CCCOc1cccc(C[NH+]2CCC(O)(COc3ccc(C)cc3)CC2)c1 ZINC000585272071 557216771 /nfs/dbraw/zinc/21/67/71/557216771.db2.gz FKPBERCMDYJBOF-UHFFFAOYSA-N 2 1 449.595 4.375 40 0 IIABMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000224799439 557652383 /nfs/dbraw/zinc/65/23/83/557652383.db2.gz AYKGJQDMYCLTLO-QHCPKHFHSA-N 2 1 426.004 4.464 40 0 IIABMP CCCN1CCN(Cc2[nH]c(CC)nc2C)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257271322 568698203 /nfs/dbraw/zinc/69/82/03/568698203.db2.gz MXVMLCOEQFKOLN-QHCPKHFHSA-N 2 1 445.611 4.256 40 0 IIABMP CCC1CC[NH+](CCC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)CC1 ZINC000015080427 556500777 /nfs/dbraw/zinc/50/07/77/556500777.db2.gz FPHANIDUEVFWCI-JOCHJYFZSA-N 2 1 449.998 4.335 40 0 IIABMP Cc1[nH+]ccn1CCCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585274266 557218334 /nfs/dbraw/zinc/21/83/34/557218334.db2.gz UWSCTYZVTPNSAY-SANMLTNESA-N 2 1 435.568 4.067 40 0 IIABMP Cc1[nH+]ccn1CCCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585274266 557218338 /nfs/dbraw/zinc/21/83/38/557218338.db2.gz UWSCTYZVTPNSAY-SANMLTNESA-N 2 1 435.568 4.067 40 0 IIABMP COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)Cn4cc[nH+]c4C(C)C)C3)c2)c1 ZINC000257232307 568679991 /nfs/dbraw/zinc/67/99/91/568679991.db2.gz GKHNKFMKQZESDQ-LJQANCHMSA-N 2 1 433.556 4.478 40 0 IIABMP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1 ZINC000019587665 569227198 /nfs/dbraw/zinc/22/71/98/569227198.db2.gz DDIZTMBERJTTFS-RDPSFJRHSA-N 2 1 425.548 4.005 40 0 IIABMP C[NH2+]CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000016189382 556588479 /nfs/dbraw/zinc/58/84/79/556588479.db2.gz BVNXKOYAUGVVCR-UHFFFAOYSA-N 2 1 427.770 4.389 40 0 IIABMP COc1ccc(C[NH+]2CCC([C@@]3(C)CCCCN(C)C3=O)CC2)cc1Cn1cc[nH+]c1C ZINC000072372050 556941569 /nfs/dbraw/zinc/94/15/69/556941569.db2.gz VBNYPTLVJCAHBU-AREMUKBSSA-N 2 1 438.616 4.109 40 0 IIABMP O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3OCC[NH+]3CCCC3)C[C@H]2c2ccccc2)N1 ZINC000585261955 557197905 /nfs/dbraw/zinc/19/79/05/557197905.db2.gz MTPRVJZGIVDXRA-LBNVMWSVSA-N 2 1 447.623 4.190 40 0 IIABMP Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000585274549 568618491 /nfs/dbraw/zinc/61/84/91/568618491.db2.gz ZUVJVKCFFGBCBO-MHZLTWQESA-N 2 1 438.612 4.266 40 0 IIABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585273524 557215812 /nfs/dbraw/zinc/21/58/12/557215812.db2.gz PDDQNBKOFNHVDZ-HHHXNRCGSA-N 2 1 449.595 4.321 40 0 IIABMP CCc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585273524 557215814 /nfs/dbraw/zinc/21/58/14/557215814.db2.gz PDDQNBKOFNHVDZ-HHHXNRCGSA-N 2 1 449.595 4.321 40 0 IIABMP Cc1[nH+]ccn1CCOc1ccc(C[NH+]2CCC(O)(COc3ccc(C)cc3C)CC2)cc1 ZINC000585273532 557215901 /nfs/dbraw/zinc/21/59/01/557215901.db2.gz PDGZBLAXHMPECU-UHFFFAOYSA-N 2 1 449.595 4.293 40 0 IIABMP O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000585280265 557219736 /nfs/dbraw/zinc/21/97/36/557219736.db2.gz LJGKQYLMOLHXSH-HHHXNRCGSA-N 2 1 438.612 4.347 40 0 IIABMP Cc1ccc(C)n1-n1c(CCC[NH+]2CCC[C@@H](C)C2)nnc1CCC[N@@H+]1CCC[C@H](C)C1 ZINC000260572346 557492567 /nfs/dbraw/zinc/49/25/67/557492567.db2.gz ONAPOUAUOOJJDT-SZPZYZBQSA-N 2 1 440.680 4.337 40 0 IIABMP Cc1ccc(C)n1-n1c(CCC[NH+]2CCC[C@H](C)C2)nnc1CCC[N@@H+]1CCC[C@@H](C)C1 ZINC000260572346 557492569 /nfs/dbraw/zinc/49/25/69/557492569.db2.gz ONAPOUAUOOJJDT-SZPZYZBQSA-N 2 1 440.680 4.337 40 0 IIABMP Cc1ccc(C)n1-n1c(CCC[NH+]2CCC[C@H](C)C2)nnc1CCC[N@H+]1CCC[C@@H](C)C1 ZINC000260572346 557492570 /nfs/dbraw/zinc/49/25/70/557492570.db2.gz ONAPOUAUOOJJDT-SZPZYZBQSA-N 2 1 440.680 4.337 40 0 IIABMP Cc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585274774 568618579 /nfs/dbraw/zinc/61/85/79/568618579.db2.gz ZLLRMFRKRUBJCV-HHHXNRCGSA-N 2 1 449.595 4.375 40 0 IIABMP Cc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585274774 568618583 /nfs/dbraw/zinc/61/85/83/568618583.db2.gz ZLLRMFRKRUBJCV-HHHXNRCGSA-N 2 1 449.595 4.375 40 0 IIABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000257218890 568673745 /nfs/dbraw/zinc/67/37/45/568673745.db2.gz DESNQWKHURUJGU-XMMPIXPASA-N 2 1 445.567 4.028 40 0 IIABMP COc1ccc(NC(=O)C[NH+]2CCC(c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)CC2)cc1 ZINC000257304464 568713289 /nfs/dbraw/zinc/71/32/89/568713289.db2.gz SLUHAKSUVYTUDW-UHFFFAOYSA-N 2 1 449.530 4.494 40 0 IIABMP C[NH+]1CCN(C(=O)C[C@@H]2CC3(CC[NH+](Cc4ccc(F)cc4)CC3)c3ccccc32)CC1 ZINC000096052937 557166381 /nfs/dbraw/zinc/16/63/81/557166381.db2.gz WTTTXIQGHMMCER-JOCHJYFZSA-N 2 1 435.587 4.011 40 0 IIABMP O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCC[NH+]3CCCCC3)c2)C1 ZINC000585280266 557219797 /nfs/dbraw/zinc/21/97/97/557219797.db2.gz LJGKQYLMOLHXSH-MHZLTWQESA-N 2 1 438.612 4.347 40 0 IIABMP CCCN1CCN(Cc2[nH]c(CC)nc2C)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000257271321 568698122 /nfs/dbraw/zinc/69/81/22/568698122.db2.gz MXVMLCOEQFKOLN-HSZRJFAPSA-N 2 1 445.611 4.256 40 0 IIABMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038830717 556621332 /nfs/dbraw/zinc/62/13/32/556621332.db2.gz HWAJGWMEYOWUCO-QHCPKHFHSA-N 2 1 426.004 4.464 40 0 IIABMP COc1ccc(NC(=O)[C@H]2C[C@H](C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587650 556823659 /nfs/dbraw/zinc/82/36/59/556823659.db2.gz JRHLZFNEQBHRMP-YADARESESA-N 2 1 443.538 4.144 40 0 IIABMP COc1ccc(NC(=O)[C@H]2C[C@H](C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587650 556823661 /nfs/dbraw/zinc/82/36/61/556823661.db2.gz JRHLZFNEQBHRMP-YADARESESA-N 2 1 443.538 4.144 40 0 IIABMP COc1ccc(C[NH+]2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1 ZINC000019587667 556823748 /nfs/dbraw/zinc/82/37/48/556823748.db2.gz DDIZTMBERJTTFS-GBXCKJPGSA-N 2 1 425.548 4.005 40 0 IIABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2cccc(OCC[NH+]3CCCC3)c2)n1 ZINC000257218362 568673448 /nfs/dbraw/zinc/67/34/48/568673448.db2.gz DCVVMDSJBKQORP-XMMPIXPASA-N 2 1 445.567 4.028 40 0 IIABMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@@H+]3Cc2ccccc2)o1 ZINC000257251447 568689448 /nfs/dbraw/zinc/68/94/48/568689448.db2.gz JQUKHSSGUSASIZ-TWJOJJKGSA-N 2 1 443.591 4.472 40 0 IIABMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@H+]3Cc2ccccc2)o1 ZINC000257251447 568689449 /nfs/dbraw/zinc/68/94/49/568689449.db2.gz JQUKHSSGUSASIZ-TWJOJJKGSA-N 2 1 443.591 4.472 40 0 IIABMP Cc1[nH+]ccn1CCOc1cccc(C[NH+]2CCC(O)(COc3ccc(C)cc3C)CC2)c1 ZINC000585271827 557216205 /nfs/dbraw/zinc/21/62/05/557216205.db2.gz KKFIPHQSPUPATO-UHFFFAOYSA-N 2 1 449.595 4.293 40 0 IIABMP C[N@H+]1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C1CC[NH+](Cc2ccncc2)CC1 ZINC000248126679 569207136 /nfs/dbraw/zinc/20/71/36/569207136.db2.gz LYCQLEGBIQIYBV-UGKGYDQZSA-N 2 1 446.517 4.271 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)[NH+](C)C1 ZINC000248139042 569207289 /nfs/dbraw/zinc/20/72/89/569207289.db2.gz PRHIXVSQKXXKFU-MIZPHKNDSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)[NH+](C)C1 ZINC000248139042 569207290 /nfs/dbraw/zinc/20/72/90/569207290.db2.gz PRHIXVSQKXXKFU-MIZPHKNDSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[NH+](Cc3ccc(F)cc3)C2)[N@H+](C)C1 ZINC000248139042 569207291 /nfs/dbraw/zinc/20/72/91/569207291.db2.gz PRHIXVSQKXXKFU-MIZPHKNDSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[NH+](Cc3ccc(F)cc3)C2)[N@@H+](C)C1 ZINC000248139042 569207292 /nfs/dbraw/zinc/20/72/92/569207292.db2.gz PRHIXVSQKXXKFU-MIZPHKNDSA-N 2 1 425.548 4.005 40 0 IIABMP CCOc1ccc(C[N@@H+]2Cc3cc(OC)ccc3O[C@@]3(CCC[NH+](C)CC3)C2)cc1OC ZINC000072394512 556965967 /nfs/dbraw/zinc/96/59/67/556965967.db2.gz PAHDQTYXCGTKOH-AREMUKBSSA-N 2 1 440.584 4.352 40 0 IIABMP CCOc1ccc(C[N@H+]2Cc3cc(OC)ccc3O[C@@]3(CCC[NH+](C)CC3)C2)cc1OC ZINC000072394512 556965970 /nfs/dbraw/zinc/96/59/70/556965970.db2.gz PAHDQTYXCGTKOH-AREMUKBSSA-N 2 1 440.584 4.352 40 0 IIABMP CCOc1ccc(C[NH+]2Cc3cc(OC)ccc3O[C@@]3(CCC[N@H+](C)CC3)C2)cc1OC ZINC000072394512 556965973 /nfs/dbraw/zinc/96/59/73/556965973.db2.gz PAHDQTYXCGTKOH-AREMUKBSSA-N 2 1 440.584 4.352 40 0 IIABMP CCOc1ccc(C[NH+]2Cc3cc(OC)ccc3O[C@@]3(CCC[N@@H+](C)CC3)C2)cc1OC ZINC000072394512 556965975 /nfs/dbraw/zinc/96/59/75/556965975.db2.gz PAHDQTYXCGTKOH-AREMUKBSSA-N 2 1 440.584 4.352 40 0 IIABMP C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)cc2)CC1 ZINC000113935264 557378984 /nfs/dbraw/zinc/37/89/84/557378984.db2.gz CKOVPBRTVPNYBI-UHFFFAOYSA-N 2 1 440.591 4.249 40 0 IIABMP C[C@@H]1C[C@H](C)C[N@H+](CCCc2nnc(CCC[NH+]3[C@H](C)CCC[C@@H]3C)n2-n2cccc2)C1 ZINC000260572217 557492509 /nfs/dbraw/zinc/49/25/09/557492509.db2.gz LHWIMKIAPMVBHF-WAPCQROESA-N 2 1 440.680 4.497 40 0 IIABMP C[C@@H]1C[C@H](C)C[NH+](CCCc2nnc(CCC[N@H+]3[C@H](C)CCC[C@@H]3C)n2-n2cccc2)C1 ZINC000260572217 557492511 /nfs/dbraw/zinc/49/25/11/557492511.db2.gz LHWIMKIAPMVBHF-WAPCQROESA-N 2 1 440.680 4.497 40 0 IIABMP C[C@@H]1C[C@H](C)C[NH+](CCCc2nnc(CCC[N@@H+]3[C@H](C)CCC[C@@H]3C)n2-n2cccc2)C1 ZINC000260572217 557492513 /nfs/dbraw/zinc/49/25/13/557492513.db2.gz LHWIMKIAPMVBHF-WAPCQROESA-N 2 1 440.680 4.497 40 0 IIABMP COc1c(C)cccc1C(=O)N1CCO[C@@H](c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)C1 ZINC000257242899 568684977 /nfs/dbraw/zinc/68/49/77/568684977.db2.gz IEQUANACONZSRS-JOCHJYFZSA-N 2 1 432.524 4.368 40 0 IIABMP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1 ZINC000019587661 569227305 /nfs/dbraw/zinc/22/73/05/569227305.db2.gz DDIZTMBERJTTFS-YKSBVNFPSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccccc1C[NH+]1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225425165 291383994 /nfs/dbraw/zinc/38/39/94/291383994.db2.gz NTKJVCUAFIZRNQ-UHFFFAOYSA-N 2 1 449.620 4.194 40 0 biogenic,in-vitro IIABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2cccc(OCC[NH+]3CCCC3)c2)n1 ZINC000257218361 568673362 /nfs/dbraw/zinc/67/33/62/568673362.db2.gz DCVVMDSJBKQORP-DEOSSOPVSA-N 2 1 445.567 4.028 40 0 IIABMP C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000306139435 568771202 /nfs/dbraw/zinc/77/12/02/568771202.db2.gz SXBGSYCNNPUWHF-UHFFFAOYSA-N 2 1 425.939 4.174 40 0 IIABMP C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000306139435 568771205 /nfs/dbraw/zinc/77/12/05/568771205.db2.gz SXBGSYCNNPUWHF-UHFFFAOYSA-N 2 1 425.939 4.174 40 0 IIABMP COc1ccc(NC(=O)[C@H]2C[C@@H](C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587646 569227299 /nfs/dbraw/zinc/22/72/99/569227299.db2.gz JRHLZFNEQBHRMP-CYFREDJKSA-N 2 1 443.538 4.144 40 0 IIABMP COc1ccc(NC(=O)[C@H]2C[C@@H](C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587646 569227300 /nfs/dbraw/zinc/22/73/00/569227300.db2.gz JRHLZFNEQBHRMP-CYFREDJKSA-N 2 1 443.538 4.144 40 0 IIABMP Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CC[NH+](C)CC4)c4ccccc43)CC2)s1 ZINC000096052934 557166453 /nfs/dbraw/zinc/16/64/53/557166453.db2.gz RKCBDKQMFSALJJ-OAQYLSRUSA-N 2 1 437.653 4.242 40 0 IIABMP COc1ccc([C@]2(CC[NH2+]Cc3ccc(OC)c(OC)c3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004023297 557530509 /nfs/dbraw/zinc/53/05/09/557530509.db2.gz JPXNLMLEBRFIDG-XMERXJNXSA-N 2 1 426.601 4.490 40 0 IIABMP Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)cc1 ZINC000585274547 568618437 /nfs/dbraw/zinc/61/84/37/568618437.db2.gz ZUVJVKCFFGBCBO-HHHXNRCGSA-N 2 1 438.612 4.266 40 0 IIABMP C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000306139576 568771333 /nfs/dbraw/zinc/77/13/33/568771333.db2.gz TUVIYXYEYGBMCT-UHFFFAOYSA-N 2 1 425.939 4.174 40 0 IIABMP C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000306139576 568771334 /nfs/dbraw/zinc/77/13/34/568771334.db2.gz TUVIYXYEYGBMCT-UHFFFAOYSA-N 2 1 425.939 4.174 40 0 IIABMP C[N@H+]1C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1C1CC[NH+](Cc2ccncc2)CC1 ZINC000248126674 569207108 /nfs/dbraw/zinc/20/71/08/569207108.db2.gz LYCQLEGBIQIYBV-KNQAVFIVSA-N 2 1 446.517 4.271 40 0 IIABMP COc1cccc(C[NH+]2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)c1 ZINC000019587690 569227258 /nfs/dbraw/zinc/22/72/58/569227258.db2.gz RMINRNAZUULCEG-YKSBVNFPSA-N 2 1 425.548 4.005 40 0 IIABMP COc1ccc([C@]2(CC[NH2+]Cc3ccc(OC)c(OC)c3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000012652950 569304685 /nfs/dbraw/zinc/30/46/85/569304685.db2.gz JPXNLMLEBRFIDG-OUDXUNEISA-N 2 1 426.601 4.490 40 0 IIABMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019083894 556698261 /nfs/dbraw/zinc/69/82/61/556698261.db2.gz VBGFQZGPGIBXEB-KSZLIROESA-N 2 1 425.612 4.471 40 0 IIABMP O=C(NCCC[N@@H+]1CCc2ccccc2C1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225588247 557748139 /nfs/dbraw/zinc/74/81/39/557748139.db2.gz QRQPXZBLELDLOX-UHFFFAOYSA-N 2 1 443.994 4.256 40 0 IIABMP O=C(NCCC[N@H+]1CCc2ccccc2C1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225588247 557748143 /nfs/dbraw/zinc/74/81/43/557748143.db2.gz QRQPXZBLELDLOX-UHFFFAOYSA-N 2 1 443.994 4.256 40 0 IIABMP Cc1[nH+]ccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCCn2c3ccccc3nc2C(C)C)[C@H]1O ZINC000257242567 568684987 /nfs/dbraw/zinc/68/49/87/568684987.db2.gz IDDNUITZICLYTO-CQOQZXRMSA-N 2 1 437.588 4.058 40 0 IIABMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OCc1ccccc1F ZINC000008373828 556158620 /nfs/dbraw/zinc/15/86/20/556158620.db2.gz WTNIVKUJZZVFMU-UHFFFAOYSA-N 2 1 425.342 4.217 40 0 IIABMP COc1ccc(NC(=O)[C@@H]2C[C@H](C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)[N@H+](C)C2)cc1 ZINC000019587648 556823602 /nfs/dbraw/zinc/82/36/02/556823602.db2.gz JRHLZFNEQBHRMP-NTKDMRAZSA-N 2 1 443.538 4.144 40 0 IIABMP COc1ccc(NC(=O)[C@@H]2C[C@H](C3CC[NH+](Cc4ccc(F)c(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587648 556823605 /nfs/dbraw/zinc/82/36/05/556823605.db2.gz JRHLZFNEQBHRMP-NTKDMRAZSA-N 2 1 443.538 4.144 40 0 IIABMP COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CC[NH+](Cc4cccc(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587682 569227190 /nfs/dbraw/zinc/22/71/90/569227190.db2.gz VBBJXKKVJZYQLL-YKSBVNFPSA-N 2 1 425.548 4.005 40 0 IIABMP CNc1nc([C@H]2CCC[NH2+]2)nc2c1CC[N@H+](Cc1ccccc1-c1ccccc1OC)C2 ZINC000019707113 569327531 /nfs/dbraw/zinc/32/75/31/569327531.db2.gz WZKKYPIAVPRVNN-JOCHJYFZSA-N 2 1 429.568 4.177 40 0 IIABMP CNc1nc([C@H]2CCC[NH2+]2)nc2c1CC[N@@H+](Cc1ccccc1-c1ccccc1OC)C2 ZINC000019707113 569327532 /nfs/dbraw/zinc/32/75/32/569327532.db2.gz WZKKYPIAVPRVNN-JOCHJYFZSA-N 2 1 429.568 4.177 40 0 IIABMP COc1ccc(NC(=O)[C@H]2C[C@H](C3CC[NH+](Cc4cccc(F)c4)CC3)[N@@H+](C)C2)cc1 ZINC000019587688 556824135 /nfs/dbraw/zinc/82/41/35/556824135.db2.gz VBBJXKKVJZYQLL-GBXCKJPGSA-N 2 1 425.548 4.005 40 0 IIABMP C[C@@H]1C[C@H](C)C[N@H+](CCCc2nnc(CCC[NH+]3[C@@H](C)CCC[C@@H]3C)n2-n2cccc2)C1 ZINC000225152927 557692920 /nfs/dbraw/zinc/69/29/20/557692920.db2.gz LHWIMKIAPMVBHF-KIHHCIJBSA-N 2 1 440.680 4.497 40 0 IIABMP C[NH2+]CCC[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000016189378 556588454 /nfs/dbraw/zinc/58/84/54/556588454.db2.gz AGSSVGKHJFHBPW-UHFFFAOYSA-N 2 1 427.770 4.389 40 0 IIABMP C[N@H+](CC(=O)N1[C@@H]2CCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000257322012 556704122 /nfs/dbraw/zinc/70/41/22/556704122.db2.gz WEGXJPHUBVIFIM-WOKGGPCBSA-N 2 1 435.587 4.000 40 0 IIABMP C[N@@H+](CC(=O)N1[C@@H]2CCC[C@@H]3[NH2+][C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000257322012 556704125 /nfs/dbraw/zinc/70/41/25/556704125.db2.gz WEGXJPHUBVIFIM-WOKGGPCBSA-N 2 1 435.587 4.000 40 0 IIABMP O=C(CN(c1[nH+]c(C2CC[NH2+]CC2)c2ccccn21)c1cccc(F)c1)NC1CCCC1 ZINC000019399759 556752622 /nfs/dbraw/zinc/75/26/22/556752622.db2.gz RFMXCGYPLDFUQN-UHFFFAOYSA-N 2 1 435.547 4.137 40 0 IIABMP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1 ZINC000019587663 556823669 /nfs/dbraw/zinc/82/36/69/556823669.db2.gz DDIZTMBERJTTFS-HYBUGGRVSA-N 2 1 425.548 4.005 40 0 IIABMP CCc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2cc(Nc3ncccc3C)cc(C)[nH+]2)C1 ZINC000072374953 556949841 /nfs/dbraw/zinc/94/98/41/556949841.db2.gz ANZPKEMTABBXLV-FQEVSTJZSA-N 2 1 432.572 4.392 40 0 IIABMP Cc1[nH+]ccn1CCCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585271512 557213268 /nfs/dbraw/zinc/21/32/68/557213268.db2.gz AILSDGDDCFMRTN-SANMLTNESA-N 2 1 435.568 4.067 40 0 IIABMP Cc1[nH+]ccn1CCCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585271512 557213271 /nfs/dbraw/zinc/21/32/71/557213271.db2.gz AILSDGDDCFMRTN-SANMLTNESA-N 2 1 435.568 4.067 40 0 IIABMP