smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2[nH+]c(N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc(N)c2cc1OC ZINC000025962773 563027617 /nfs/dbraw/zinc/02/76/17/563027617.db2.gz GXPSJGHGAVNKAB-UHFFFAOYSA-N 1 1 443.529 2.049 20 0 IEADMO Cc1ncc2n1CCN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@@H](CO)C1)C2 ZINC001164440074 718991033 /nfs/dbraw/zinc/99/10/33/718991033.db2.gz INSNDIUXUVLYAY-QGZVFWFLSA-N 1 1 426.565 2.406 20 0 IEADMO CC(C)(C)C(=O)Nc1ccnc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1CN1CC[C@@H](CO)C1 ZINC001164622571 719120542 /nfs/dbraw/zinc/12/05/42/719120542.db2.gz PJURWFMWHDSXQO-AOIWGVFYSA-N 1 1 447.599 2.394 20 0 IEADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(Cl)nc4c(OC)cccc43)CC2)C1=O ZINC001164635478 719273969 /nfs/dbraw/zinc/27/39/69/719273969.db2.gz RLSRYTKTFHYDRP-UHFFFAOYSA-N 1 1 433.940 2.051 20 0 IEADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(Cl)nc4c(OC)cccc43)CC2)C1=O ZINC001164635478 719273972 /nfs/dbraw/zinc/27/39/72/719273972.db2.gz RLSRYTKTFHYDRP-UHFFFAOYSA-N 1 1 433.940 2.051 20 0 IEADMO COCCN1CCN(C)C2(CCN(c3[nH+]cnc4c3ccn4Cc3ccccc3)CC2)C1=O ZINC001164637937 719275718 /nfs/dbraw/zinc/27/57/18/719275718.db2.gz BIKUDBCUMIXHNM-UHFFFAOYSA-N 1 1 448.571 2.239 20 0 IEADMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4[nH]c5cc(F)ccc5c43)CC2)C1=O ZINC001164644131 719285268 /nfs/dbraw/zinc/28/52/68/719285268.db2.gz FARLUNXADSYBTG-UHFFFAOYSA-N 1 1 426.496 2.010 20 0 IEADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4[nH]c5cc(F)ccc5c43)CC2)C1=O ZINC001164644131 719285271 /nfs/dbraw/zinc/28/52/71/719285271.db2.gz FARLUNXADSYBTG-UHFFFAOYSA-N 1 1 426.496 2.010 20 0 IEADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1nc3scnc3c(N3CCOCC3)n1)CC2 ZINC001164645980 719309604 /nfs/dbraw/zinc/30/96/04/719309604.db2.gz AOXMXEADSPZLML-UHFFFAOYSA-N 1 1 442.593 2.325 20 0 IEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c1ncn3[C@@H]1CCCCO1)CC2 ZINC001164684553 719717637 /nfs/dbraw/zinc/71/76/37/719717637.db2.gz IEPYCWJZBAWSQY-INIZCTEOSA-N 1 1 447.971 2.360 20 0 IEADMO CCOC(=O)c1c(Cl)nc(SC)nc1N1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001164684344 719718903 /nfs/dbraw/zinc/71/89/03/719718903.db2.gz GKPMETRHSJJVKB-UHFFFAOYSA-N 1 1 441.985 2.209 20 0 IEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc(NC(=O)OC(C)(C)C)c3nc[nH]c31)CC2 ZINC001164689530 719736626 /nfs/dbraw/zinc/73/66/26/719736626.db2.gz GMRMTVOBNPOUDR-UHFFFAOYSA-N 1 1 443.552 2.486 20 0 IEADMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccc4c(c3)OCCCO4)nn1)CC2 ZINC001164689317 719746755 /nfs/dbraw/zinc/74/67/55/719746755.db2.gz APXCPIIFKJNKBR-UHFFFAOYSA-N 1 1 437.544 2.486 20 0 IEADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncc(C(N)=S)c2ccsc21 ZINC001164704300 719880079 /nfs/dbraw/zinc/88/00/79/719880079.db2.gz VAWBWSFQHFNEOJ-ZUOKHONESA-N 1 1 434.587 2.163 20 0 IEADMO O=S(=O)(NC1CC1)c1ccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1 ZINC001164706769 719898942 /nfs/dbraw/zinc/89/89/42/719898942.db2.gz KHPNBZDVSOGGKG-UHFFFAOYSA-N 1 1 448.614 2.455 20 0 IEADMO Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164708868 719911677 /nfs/dbraw/zinc/91/16/77/719911677.db2.gz LDDJQILEVPDSTD-UHFFFAOYSA-N 1 1 448.575 2.230 20 0 IEADMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N3CCOCC3)ncn1)CC2 ZINC001164711557 720097722 /nfs/dbraw/zinc/09/77/22/720097722.db2.gz QSCYRIYFYKHQGP-NRFANRHFSA-N 1 1 438.576 2.216 20 0 IEADMO COCCOc1ccc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nn1 ZINC001164711782 720144884 /nfs/dbraw/zinc/14/48/84/720144884.db2.gz KEUCIXJNCWWBJR-HXUWFJFHSA-N 1 1 427.549 2.404 20 0 IEADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3c1NC(=O)CS3)CC2 ZINC001164715077 720155892 /nfs/dbraw/zinc/15/58/92/720155892.db2.gz SKTUHUNCUWJWQV-QGZVFWFLSA-N 1 1 440.573 2.423 20 0 IEADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(OC)nc(N3CCCCCC3)n1)C2 ZINC001164813034 720162295 /nfs/dbraw/zinc/16/22/95/720162295.db2.gz BYVDLRSNPBYNOC-CVDCTZTESA-N 1 1 430.597 2.445 20 0 IEADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)C2 ZINC001164812973 720163080 /nfs/dbraw/zinc/16/30/80/720163080.db2.gz BCHVPIKTEXDQMD-GBXCKJPGSA-N 1 1 441.624 2.257 20 0 IEADMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)N3CCCC3)cn1)C2 ZINC001164815064 720169742 /nfs/dbraw/zinc/16/97/42/720169742.db2.gz HRIKFPJORYMTHJ-UGKGYDQZSA-N 1 1 434.606 2.051 20 0 IEADMO CCOC(=O)N1CCc2nnc(N3CC[C@@]4(C3)C[N@@H+](CC3CC3)C[C@H]4COC)cc2C1 ZINC001164815034 720171543 /nfs/dbraw/zinc/17/15/43/720171543.db2.gz HCQHNGCVTOSBKC-CVDCTZTESA-N 1 1 429.565 2.176 20 0 IEADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(S(=O)(=O)N3CCCC3)ccn1)C2 ZINC001164814360 720184186 /nfs/dbraw/zinc/18/41/86/720184186.db2.gz FUUOKMYJEHYZDM-KNQAVFIVSA-N 1 1 434.606 2.051 20 0 IEADMO CCOC(=O)c1cnc(Cl)nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164814668 720210250 /nfs/dbraw/zinc/21/02/50/720210250.db2.gz VYDFMLZLHNJSET-UHFFFAOYSA-N 1 1 434.928 2.114 20 0 IEADMO CCOc1ccc(C(=O)OC)c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164813564 720227593 /nfs/dbraw/zinc/22/75/93/720227593.db2.gz PIJIKVMSLSPJHA-UHFFFAOYSA-N 1 1 429.521 2.074 20 0 IEADMO COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164816704 720244922 /nfs/dbraw/zinc/24/49/22/720244922.db2.gz LPQLEQPIHLJMFU-CQSZACIVSA-N 1 1 448.955 2.214 20 0 IEADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(O[C@H]3CCOC3)n1)CCC2 ZINC001164817140 720245074 /nfs/dbraw/zinc/24/50/74/720245074.db2.gz PICIESCZNCLUSI-INIZCTEOSA-N 1 1 448.955 2.105 20 0 IEADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nnc3-c3ccccc3)C2)C1 ZINC001164718962 720250755 /nfs/dbraw/zinc/25/07/55/720250755.db2.gz JDDUDDARZHHWEG-JOCHJYFZSA-N 1 1 429.952 2.462 20 0 IEADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nnc3-c3ccccc3)C2)C1 ZINC001164718962 720250761 /nfs/dbraw/zinc/25/07/61/720250761.db2.gz JDDUDDARZHHWEG-JOCHJYFZSA-N 1 1 429.952 2.462 20 0 IEADMO CCN(c1ccccc1)c1cc(N2CCC[C@@]3(C2)COCC[N@H+](CC(=O)NC)C3)ncn1 ZINC001164723984 720298376 /nfs/dbraw/zinc/29/83/76/720298376.db2.gz ZBCOJKBYJPUYSN-XMMPIXPASA-N 1 1 438.576 2.299 20 0 IEADMO CCN(c1ccccc1)c1cc(N2CCC[C@@]3(C2)COCC[N@@H+](CC(=O)NC)C3)ncn1 ZINC001164723984 720298381 /nfs/dbraw/zinc/29/83/81/720298381.db2.gz ZBCOJKBYJPUYSN-XMMPIXPASA-N 1 1 438.576 2.299 20 0 IEADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(-c4cccc(F)c4)cc3C)C2)C1 ZINC001164720809 720304372 /nfs/dbraw/zinc/30/43/72/720304372.db2.gz AABULSNECDLZMD-QHCPKHFHSA-N 1 1 427.524 2.256 20 0 IEADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(-c4cccc(F)c4)cc3C)C2)C1 ZINC001164720809 720304374 /nfs/dbraw/zinc/30/43/74/720304374.db2.gz AABULSNECDLZMD-QHCPKHFHSA-N 1 1 427.524 2.256 20 0 IEADMO CC(=O)N(C)Cc1nnc2n1CCCN(c1ncnc3c1CC[N@H+](Cc1ccccc1)C3)C2 ZINC001164829853 720413312 /nfs/dbraw/zinc/41/33/12/720413312.db2.gz OLTDZWFYJXHRTB-UHFFFAOYSA-N 1 1 446.559 2.015 20 0 IEADMO CC(=O)N(C)Cc1nnc2n1CCCN(c1ncnc3c1CC[N@@H+](Cc1ccccc1)C3)C2 ZINC001164829853 720413320 /nfs/dbraw/zinc/41/33/20/720413320.db2.gz OLTDZWFYJXHRTB-UHFFFAOYSA-N 1 1 446.559 2.015 20 0 IEADMO COC(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1C(=O)OC ZINC001164835274 720515338 /nfs/dbraw/zinc/51/53/38/720515338.db2.gz JLOYOTXYDSHLPJ-ZIFCJYIRSA-N 1 1 441.532 2.229 20 0 IEADMO CCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(N2CCOCC2)n1 ZINC001164840776 720570336 /nfs/dbraw/zinc/57/03/36/720570336.db2.gz STKLNVOMSQVKFH-BAGYTPMASA-N 1 1 439.608 2.450 20 0 IEADMO COC(=O)c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164739670 720658461 /nfs/dbraw/zinc/65/84/61/720658461.db2.gz OSKWTTJCVMNBCE-OLZOCXBDSA-N 1 1 439.850 2.198 20 0 IEADMO COC(=O)c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl ZINC001164739670 720658476 /nfs/dbraw/zinc/65/84/76/720658476.db2.gz OSKWTTJCVMNBCE-OLZOCXBDSA-N 1 1 439.850 2.198 20 0 IEADMO CNS(=O)(=O)c1cccnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164841961 720701681 /nfs/dbraw/zinc/70/16/81/720701681.db2.gz KNTYAPJQJNFLAN-IBGZPJMESA-N 1 1 430.574 2.250 20 0 IEADMO COc1cc2nc(Cl)c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1OC ZINC001164742581 720704166 /nfs/dbraw/zinc/70/41/66/720704166.db2.gz VTSPVEKHRAPOQR-ZIAGYGMSSA-N 1 1 442.907 2.432 20 0 IEADMO CCN(CC)C(=O)c1cc(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164739226 720714163 /nfs/dbraw/zinc/71/41/63/720714163.db2.gz MECVYRSYSLFUBN-DLBZAZTESA-N 1 1 430.940 2.349 20 0 IEADMO Fc1ccccc1Cn1cnc2c1ncnc2N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739455 720722318 /nfs/dbraw/zinc/72/23/18/720722318.db2.gz ISTYQGZPXYKEDW-MSOLQXFVSA-N 1 1 446.490 2.146 20 0 IEADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741510 720722938 /nfs/dbraw/zinc/72/29/38/720722938.db2.gz MSEYOOSPJFCKGS-CHWSQXEVSA-N 1 1 433.850 2.355 20 0 IEADMO FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741510 720722945 /nfs/dbraw/zinc/72/29/45/720722945.db2.gz MSEYOOSPJFCKGS-CHWSQXEVSA-N 1 1 433.850 2.355 20 0 IEADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744135 720746867 /nfs/dbraw/zinc/74/68/67/720746867.db2.gz RGQJOHDTIRAXFX-KGLIPLIRSA-N 1 1 439.850 2.198 20 0 IEADMO COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164744135 720746875 /nfs/dbraw/zinc/74/68/75/720746875.db2.gz RGQJOHDTIRAXFX-KGLIPLIRSA-N 1 1 439.850 2.198 20 0 IEADMO COc1ccc(OC)c(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)c1 ZINC001164743500 720782440 /nfs/dbraw/zinc/78/24/40/720782440.db2.gz QNCURYYVJZDSRA-SJLPKXTDSA-N 1 1 434.500 2.293 20 0 IEADMO Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164742391 720795439 /nfs/dbraw/zinc/79/54/39/720795439.db2.gz CYFVGUYLMMEBKL-MOPGFXCFSA-N 1 1 431.500 2.169 20 0 IEADMO Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164742409 720795621 /nfs/dbraw/zinc/79/56/21/720795621.db2.gz CYFVGUYLMMEBKL-RBUKOAKNSA-N 1 1 431.500 2.169 20 0 IEADMO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744815 720809836 /nfs/dbraw/zinc/80/98/36/720809836.db2.gz IQHRMFYGIAAKEF-SOLBZPMBSA-N 1 1 430.940 2.493 20 0 IEADMO COC(=O)c1ccc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164744813 720810050 /nfs/dbraw/zinc/81/00/50/720810050.db2.gz IQHRMFYGIAAKEF-LZLYRXPVSA-N 1 1 430.940 2.493 20 0 IEADMO COC(=O)c1cnc(Cl)cc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164746136 720810275 /nfs/dbraw/zinc/81/02/75/720810275.db2.gz LVHQQAQCKXEXLC-LZLYRXPVSA-N 1 1 430.940 2.493 20 0 IEADMO CCOC(=O)c1cnc(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164742220 720810893 /nfs/dbraw/zinc/81/08/93/720810893.db2.gz CNRSGXPRXBQRDI-LZLYRXPVSA-N 1 1 445.955 2.278 20 0 IEADMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C(N)=O ZINC001164742818 720812098 /nfs/dbraw/zinc/81/20/98/720812098.db2.gz FDGWWPNSIGSHBS-YESZJQIVSA-N 1 1 429.956 2.113 20 0 IEADMO 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CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncccc1S(=O)(=O)N1CCCC1)CC2 ZINC001164647591 719313718 /nfs/dbraw/zinc/31/37/18/719313718.db2.gz DGMODEIYRDCPJT-UHFFFAOYSA-N 1 1 432.594 2.268 20 0 IEADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(S(=O)(=O)N3CCCC3)cn1)CC2 ZINC001164651029 719314988 /nfs/dbraw/zinc/31/49/88/719314988.db2.gz GUPLZJKZCNQAAX-UHFFFAOYSA-N 1 1 432.594 2.268 20 0 IEADMO CCOC(=O)N1CCc2nnc(N3CCc4c(C[NH+](C)C)nn(C(C)C)c4C3)cc2C1 ZINC001164652916 719315562 /nfs/dbraw/zinc/31/55/62/719315562.db2.gz UEKSYZQFSLJYRQ-UHFFFAOYSA-N 1 1 427.553 2.393 20 0 IEADMO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)C[C@@H]2CCCO[C@@H]12 ZINC001164655445 719320436 /nfs/dbraw/zinc/32/04/36/719320436.db2.gz XJWQWJDKOWRGEN-UCNVEGJOSA-N 1 1 425.533 2.386 20 0 IEADMO Cc1oncc1C(=O)N[C@@H]1CN(c2ccc(C[N@H+](C)C3CC3)cn2)C[C@H]2CCCO[C@H]21 ZINC001164655444 719320541 /nfs/dbraw/zinc/32/05/41/719320541.db2.gz XJWQWJDKOWRGEN-NQSCKRDGSA-N 1 1 425.533 2.386 20 0 IEADMO 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IEADMO COc1ccc(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1Cl ZINC001164997658 722234856 /nfs/dbraw/zinc/23/48/56/722234856.db2.gz UJJYKIXQUKGKRA-UHFFFAOYSA-N 1 1 438.910 2.436 20 0 IEADMO COC(=O)c1ccc2cc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)ncc2c1 ZINC001165002842 722236680 /nfs/dbraw/zinc/23/66/80/722236680.db2.gz ZXJTXTQHALHBNO-UHFFFAOYSA-N 1 1 432.528 2.168 20 0 IEADMO C[C@@H]1CCCN(C(=O)c2ccc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)nc2)C1 ZINC001165001059 722237000 /nfs/dbraw/zinc/23/70/00/722237000.db2.gz AGNPEQXAAVZBPJ-LJQANCHMSA-N 1 1 449.603 2.101 20 0 IEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)nc4c(Cl)nccc42)CC3)CC1 ZINC001165002328 722237142 /nfs/dbraw/zinc/23/71/42/722237142.db2.gz UPLWBAGOWKCJTD-UHFFFAOYSA-N 1 1 445.358 2.479 20 0 IEADMO COc1ccccc1-c1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ncn1 ZINC001165002597 722238296 /nfs/dbraw/zinc/23/82/96/722238296.db2.gz VVLJGNSMXRLLMP-UHFFFAOYSA-N 1 1 431.544 2.299 20 0 IEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)cc(-c4ccncc4)n2)CC3)CC1 ZINC001165002673 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CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975570 722119697 /nfs/dbraw/zinc/11/96/97/722119697.db2.gz JVGDKYSBFNKQEP-HKUYNNGSSA-N 1 1 445.951 2.358 20 0 IEADMO CCOC(=O)Cc1c(Cl)ncnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975575 722120170 /nfs/dbraw/zinc/12/01/70/722120170.db2.gz JVGDKYSBFNKQEP-PKOBYXMFSA-N 1 1 445.951 2.358 20 0 IEADMO Cc1nc2c(nc(Cl)nc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1C ZINC001164984633 722137924 /nfs/dbraw/zinc/13/79/24/722137924.db2.gz YBALBQCLBAPPHA-IRXDYDNUSA-N 1 1 427.940 2.447 20 0 IEADMO CCOC(=O)c1cnc(CC)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977033 722150892 /nfs/dbraw/zinc/15/08/92/722150892.db2.gz HWDRTYTXXSXYHZ-QUCCMNQESA-N 1 1 425.533 2.338 20 0 IEADMO CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)nc1 ZINC001164990690 722188967 /nfs/dbraw/zinc/18/89/67/722188967.db2.gz NGUWPGCUAPWIKI-NRFANRHFSA-N 1 1 437.588 2.484 20 0 IEADMO COCCO[C@@H]1CCN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H]1Cc1cnn(C)c1 ZINC001165000567 722225230 /nfs/dbraw/zinc/22/52/30/722225230.db2.gz UGGGCALTZCIOHI-FGZHOGPDSA-N 1 1 429.565 2.141 20 0 IEADMO COc1cc2c(cc1Cl)ncnc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997133 722234006 /nfs/dbraw/zinc/23/40/06/722234006.db2.gz LMQDKWCPLXCEQN-UHFFFAOYSA-N 1 1 439.951 2.439 20 0 IEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2cnc(OCc4ccccc4)cn2)CC3)CC1 ZINC001164997805 722236100 /nfs/dbraw/zinc/23/61/00/722236100.db2.gz WXHROSQLFSNCDP-UHFFFAOYSA-N 1 1 431.544 2.203 20 0 IEADMO CCOC(=O)c1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)ccc1Cl ZINC001164996366 722236122 /nfs/dbraw/zinc/23/61/22/722236122.db2.gz DFXXSPGCBYTMPD-UHFFFAOYSA-N 1 1 430.940 2.059 20 0 IEADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(-c4cccnc4)nc4c2CCC4)CC3)CC1 ZINC001165002218 722238608 /nfs/dbraw/zinc/23/86/08/722238608.db2.gz RFICPJCGGVWGDC-UHFFFAOYSA-N 1 1 442.571 2.174 20 0 IEADMO COC(=O)c1cccc2nc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)ccc21 ZINC001165001580 722238978 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