smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)/C=C/C=C/C=C/C(=O)c1ccc(C(=O)/C=C/C=C/C=C/[NH+](C)C)cc1 ZINC000022339692 818794373 /nfs/dbraw/zinc/79/43/73/818794373.db2.gz HSIDCLMNQOASOK-NQXGLPJSSA-N 1 3 376.500 4.427 50 0 GIAAHO CCC[NH+]1CCC([C@H](Cc2ccccc2)N(CCOC)Cc2cccnc2)CC1 ZINC000012152881 204376860 /nfs/dbraw/zinc/37/68/60/204376860.db2.gz GDZOTZSCUGVPOS-VWLOTQADSA-N 1 3 395.591 4.263 50 0 GIAAHO Cc1ccccc1CNCc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012303158 204393330 /nfs/dbraw/zinc/39/33/30/204393330.db2.gz UAXARCAQPDXBCZ-DEOSSOPVSA-N 1 3 396.575 4.289 50 0 GIAAHO Cc1ccccc1CNCc1cccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012303158 204393333 /nfs/dbraw/zinc/39/33/33/204393333.db2.gz UAXARCAQPDXBCZ-DEOSSOPVSA-N 1 3 396.575 4.289 50 0 GIAAHO COc1ccccc1CC[NH+]1CCC(CN(C)Cc2ccccc2OC)CC1 ZINC000012612536 570690678 /nfs/dbraw/zinc/69/06/78/570690678.db2.gz HYTJVKBUSIMSTE-UHFFFAOYSA-N 1 3 382.548 4.090 50 0 GIAAHO O[C@H](COc1cccc(CNC2(c3ccccc3)CC2)c1)C[NH+]1CCCCCC1 ZINC000012584708 818168404 /nfs/dbraw/zinc/16/84/04/818168404.db2.gz MTNACMIDNZSNES-QHCPKHFHSA-N 1 3 394.559 4.081 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)C3CCN(Cc4ccccc4)CC3)CC2)o1 ZINC000012749743 818180590 /nfs/dbraw/zinc/18/05/90/818180590.db2.gz LWPPXRWSIWDYOB-UHFFFAOYSA-N 1 3 395.591 4.396 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@H+](C)C3CCN(Cc4ccccc4)CC3)CC2)o1 ZINC000012749743 818180596 /nfs/dbraw/zinc/18/05/96/818180596.db2.gz LWPPXRWSIWDYOB-UHFFFAOYSA-N 1 3 395.591 4.396 50 0 GIAAHO c1ccc(CN2CCC([NH+]3CCC(N4CCc5ccccc5C4)CC3)CC2)cc1 ZINC000004271440 204036025 /nfs/dbraw/zinc/03/60/25/204036025.db2.gz NHFCEWHZPAEOOB-UHFFFAOYSA-N 1 3 389.587 4.174 50 0 GIAAHO CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000130156535 570463808 /nfs/dbraw/zinc/46/38/08/570463808.db2.gz BYPYATDQXAQMJQ-OALUTQOASA-N 1 3 379.589 4.209 50 0 GIAAHO Cc1nc2c(s1)[C@H]([NH+]1CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC1)CCC2 ZINC000170602812 570861603 /nfs/dbraw/zinc/86/16/03/570861603.db2.gz BKPWTQHTQNDHHJ-JXXFODFXSA-N 1 3 377.598 4.040 50 0 GIAAHO Fc1ccccc1CN1CCC(C[N@@H+](Cc2cccnc2)C[C@H]2CCCO2)CC1 ZINC000011937915 818129883 /nfs/dbraw/zinc/12/98/83/818129883.db2.gz RGGAXXZMVUXABJ-HSZRJFAPSA-N 1 3 397.538 4.114 50 0 GIAAHO Fc1ccccc1CN1CCC(C[N@H+](Cc2cccnc2)C[C@H]2CCCO2)CC1 ZINC000011937915 818129890 /nfs/dbraw/zinc/12/98/90/818129890.db2.gz RGGAXXZMVUXABJ-HSZRJFAPSA-N 1 3 397.538 4.114 50 0 GIAAHO C[N@H+](C[C@H](O)COc1cccc(CNCc2ccsc2)c1)C1CCCCC1 ZINC000012386503 818156475 /nfs/dbraw/zinc/15/64/75/818156475.db2.gz YKNXGFCZBADCIE-NRFANRHFSA-N 1 3 388.577 4.042 50 0 GIAAHO C[N@@H+](C[C@H](O)COc1cccc(CNCc2ccsc2)c1)C1CCCCC1 ZINC000012386503 818156480 /nfs/dbraw/zinc/15/64/80/818156480.db2.gz YKNXGFCZBADCIE-NRFANRHFSA-N 1 3 388.577 4.042 50 0 GIAAHO O=C(C1CCCC1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014949827 818279229 /nfs/dbraw/zinc/27/92/29/818279229.db2.gz ZZUYRNWRMXJYSM-OAQYLSRUSA-N 1 3 389.628 4.146 50 0 GIAAHO O=C(C1CCCC1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014949827 818279237 /nfs/dbraw/zinc/27/92/37/818279237.db2.gz ZZUYRNWRMXJYSM-OAQYLSRUSA-N 1 3 389.628 4.146 50 0 GIAAHO COc1ccc(CCN(Cc2cc(CC(C)C)n[nH]2)CC2CC[NH+](C)CC2)cc1 ZINC000012204358 204382710 /nfs/dbraw/zinc/38/27/10/204382710.db2.gz AADCHQMKVYLICV-UHFFFAOYSA-N 1 3 398.595 4.003 50 0 GIAAHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@@H]4c4ccccc4)[C@H]3C2)cc1 ZINC000252513115 570477706 /nfs/dbraw/zinc/47/77/06/570477706.db2.gz XJVSDCMEXSTBLQ-KFEALIJWSA-N 1 3 376.544 4.264 50 0 GIAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2ccncc2)C[C@@H]2CCCO2)CC1 ZINC000095497837 571074857 /nfs/dbraw/zinc/07/48/57/571074857.db2.gz QLMSLHMFEXHBQC-VWLOTQADSA-N 1 3 393.575 4.283 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3c[nH]nc3-c3cccc(F)c3)CC2)o1 ZINC000011661199 204347344 /nfs/dbraw/zinc/34/73/44/204347344.db2.gz FKOZZRWPMCYYJJ-UHFFFAOYSA-N 1 3 396.510 4.461 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3c[nH]nc3-c3cccc(F)c3)CC2)o1 ZINC000011661199 204347347 /nfs/dbraw/zinc/34/73/47/204347347.db2.gz FKOZZRWPMCYYJJ-UHFFFAOYSA-N 1 3 396.510 4.461 50 0 GIAAHO Cc1cc(C)n(CCCN2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)n1 ZINC000011878454 204359746 /nfs/dbraw/zinc/35/97/46/204359746.db2.gz QCOXWDIPXPFLED-XMMPIXPASA-N 1 3 380.580 4.187 50 0 GIAAHO Cc1cc(C)n(CCCN2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)n1 ZINC000011878454 204359751 /nfs/dbraw/zinc/35/97/51/204359751.db2.gz QCOXWDIPXPFLED-XMMPIXPASA-N 1 3 380.580 4.187 50 0 GIAAHO COc1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012054147 204369516 /nfs/dbraw/zinc/36/95/16/204369516.db2.gz WEWHKOOHXDPLAS-DEOSSOPVSA-N 1 3 386.580 4.331 50 0 GIAAHO Cc1cc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)c2ccccc2n1 ZINC000095502787 136179837 /nfs/dbraw/zinc/17/98/37/136179837.db2.gz NDBNLELSKODXTG-UHFFFAOYSA-N 1 3 377.536 4.075 50 0 GIAAHO CC(=O)Nc1ccc(CNCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000047721621 205111669 /nfs/dbraw/zinc/11/16/69/205111669.db2.gz VIVBXINZMNMIBM-KDURUIRLSA-N 1 3 379.548 4.413 50 0 GIAAHO CC(=O)Nc1ccc(CNCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)cc1 ZINC000047721621 205111674 /nfs/dbraw/zinc/11/16/74/205111674.db2.gz VIVBXINZMNMIBM-KDURUIRLSA-N 1 3 379.548 4.413 50 0 GIAAHO C[N@@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCNC3)C1 ZINC000299762757 206186367 /nfs/dbraw/zinc/18/63/67/206186367.db2.gz AKIKUCUYSASDCP-INIZCTEOSA-N 1 3 386.923 4.210 50 0 GIAAHO C[N@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCNC3)C1 ZINC000299762757 206186370 /nfs/dbraw/zinc/18/63/70/206186370.db2.gz AKIKUCUYSASDCP-INIZCTEOSA-N 1 3 386.923 4.210 50 0 GIAAHO CCOC(=O)/C=C/c1ccc([C@@H]2CCC[N@@H+]2CCc2ccc3c(c2)CNC3)cc1 ZINC000097447448 570244568 /nfs/dbraw/zinc/24/45/68/570244568.db2.gz CFOIYFNSIAUVFH-JIWMQAFSSA-N 1 3 390.527 4.246 50 0 GIAAHO CCOC(=O)/C=C/c1ccc([C@@H]2CCC[N@H+]2CCc2ccc3c(c2)CNC3)cc1 ZINC000097447448 570244572 /nfs/dbraw/zinc/24/45/72/570244572.db2.gz CFOIYFNSIAUVFH-JIWMQAFSSA-N 1 3 390.527 4.246 50 0 GIAAHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000130156773 570464152 /nfs/dbraw/zinc/46/41/52/570464152.db2.gz BYPYATDQXAQMJQ-RTBURBONSA-N 1 3 379.589 4.209 50 0 GIAAHO c1nc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)cs1 ZINC000095525530 571090511 /nfs/dbraw/zinc/09/05/11/571090511.db2.gz GTQRHILEUOKADP-FQEVSTJZSA-N 1 3 390.641 4.086 50 0 GIAAHO c1nc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)cs1 ZINC000095525530 571090513 /nfs/dbraw/zinc/09/05/13/571090513.db2.gz GTQRHILEUOKADP-FQEVSTJZSA-N 1 3 390.641 4.086 50 0 GIAAHO COCC[N@H+](CCc1ccccc1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012303475 818153715 /nfs/dbraw/zinc/15/37/15/818153715.db2.gz ZQKZLVQOAXZMFZ-UHFFFAOYSA-N 1 3 384.539 4.229 50 0 GIAAHO COCC[N@@H+](CCc1ccccc1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012303475 818153719 /nfs/dbraw/zinc/15/37/19/818153719.db2.gz ZQKZLVQOAXZMFZ-UHFFFAOYSA-N 1 3 384.539 4.229 50 0 GIAAHO O=C(C1CCCC1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000014949830 818278917 /nfs/dbraw/zinc/27/89/17/818278917.db2.gz ZZUYRNWRMXJYSM-NRFANRHFSA-N 1 3 389.628 4.146 50 0 GIAAHO O=C(C1CCCC1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000014949830 818278922 /nfs/dbraw/zinc/27/89/22/818278922.db2.gz ZZUYRNWRMXJYSM-NRFANRHFSA-N 1 3 389.628 4.146 50 0 GIAAHO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662018 204348736 /nfs/dbraw/zinc/34/87/36/204348736.db2.gz PYLLKFZVPVVKEW-QFIPXVFZSA-N 1 3 382.548 4.090 50 0 GIAAHO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662018 204348741 /nfs/dbraw/zinc/34/87/41/204348741.db2.gz PYLLKFZVPVVKEW-QFIPXVFZSA-N 1 3 382.548 4.090 50 0 GIAAHO CCOc1cccc(C[N@H+](C)C[C@H]2CCCN(CCc3ccc(OC)cc3)C2)c1 ZINC000055228093 205144599 /nfs/dbraw/zinc/14/45/99/205144599.db2.gz AULWIBKLWNFNDA-HSZRJFAPSA-N 1 3 396.575 4.480 50 0 GIAAHO CCOc1cccc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccc(OC)cc3)C2)c1 ZINC000055228093 205144601 /nfs/dbraw/zinc/14/46/01/205144601.db2.gz AULWIBKLWNFNDA-HSZRJFAPSA-N 1 3 396.575 4.480 50 0 GIAAHO CCN(Cc1ccc(OC)cc1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012744683 570707564 /nfs/dbraw/zinc/70/75/64/570707564.db2.gz CDAIBHINCKYILG-QHCPKHFHSA-N 1 3 396.575 4.480 50 0 GIAAHO CCN(Cc1ccc(OC)cc1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012744683 570707566 /nfs/dbraw/zinc/70/75/66/570707566.db2.gz CDAIBHINCKYILG-QHCPKHFHSA-N 1 3 396.575 4.480 50 0 GIAAHO CCN(Cc1ccc(OC)cc1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012744686 570707650 /nfs/dbraw/zinc/70/76/50/570707650.db2.gz CDAIBHINCKYILG-HSZRJFAPSA-N 1 3 396.575 4.480 50 0 GIAAHO CCN(Cc1ccc(OC)cc1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012744686 570707653 /nfs/dbraw/zinc/70/76/53/570707653.db2.gz CDAIBHINCKYILG-HSZRJFAPSA-N 1 3 396.575 4.480 50 0 GIAAHO CC[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000014968650 570867330 /nfs/dbraw/zinc/86/73/30/570867330.db2.gz HYTXEDZJZZZLOV-QFIPXVFZSA-N 1 3 398.595 4.249 50 0 GIAAHO CC[N@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000014968650 570867333 /nfs/dbraw/zinc/86/73/33/570867333.db2.gz HYTXEDZJZZZLOV-QFIPXVFZSA-N 1 3 398.595 4.249 50 0 GIAAHO c1csc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000020351547 818619137 /nfs/dbraw/zinc/61/91/37/818619137.db2.gz KPUDEEASWJLVHD-HXUWFJFHSA-N 1 3 390.641 4.086 50 0 GIAAHO c1csc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000020351547 818619139 /nfs/dbraw/zinc/61/91/39/818619139.db2.gz KPUDEEASWJLVHD-HXUWFJFHSA-N 1 3 390.641 4.086 50 0 GIAAHO Cc1ccccc1C[NH+]1CCC(N2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000012052026 204368941 /nfs/dbraw/zinc/36/89/41/204368941.db2.gz QFAUZNOONDOKAP-UHFFFAOYSA-N 1 3 397.607 4.074 50 0 GIAAHO COCC[N@H+](CCc1ccccc1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000015076690 205356647 /nfs/dbraw/zinc/35/66/47/205356647.db2.gz DJTUYQGHBQFPFG-QHCPKHFHSA-N 1 3 392.587 4.057 50 0 GIAAHO COCC[N@@H+](CCc1ccccc1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000015076690 205356652 /nfs/dbraw/zinc/35/66/52/205356652.db2.gz DJTUYQGHBQFPFG-QHCPKHFHSA-N 1 3 392.587 4.057 50 0 GIAAHO c1cc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)ccn1 ZINC000023374928 570358248 /nfs/dbraw/zinc/35/82/48/570358248.db2.gz JQBQASLHBISGQA-HSZRJFAPSA-N 1 3 384.612 4.024 50 0 GIAAHO c1cc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)ccn1 ZINC000023374928 570358250 /nfs/dbraw/zinc/35/82/50/570358250.db2.gz JQBQASLHBISGQA-HSZRJFAPSA-N 1 3 384.612 4.024 50 0 GIAAHO CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000130156309 570464182 /nfs/dbraw/zinc/46/41/82/570464182.db2.gz BYPYATDQXAQMJQ-RBUKOAKNSA-N 1 3 379.589 4.209 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cn(C)nc3-c3ccccc3)CC2)o1 ZINC000012477075 570673687 /nfs/dbraw/zinc/67/36/87/570673687.db2.gz JZXPBGDVHKFFME-UHFFFAOYSA-N 1 3 392.547 4.333 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cn(C)nc3-c3ccccc3)CC2)o1 ZINC000012477075 570673688 /nfs/dbraw/zinc/67/36/88/570673688.db2.gz JZXPBGDVHKFFME-UHFFFAOYSA-N 1 3 392.547 4.333 50 0 GIAAHO CC(=O)Nc1ccc(C[N@H+](C)C[C@H]2CCCN(CCc3ccccc3C)C2)cc1 ZINC000014975671 570868572 /nfs/dbraw/zinc/86/85/72/570868572.db2.gz RKSDVDMDUOHFCA-HSZRJFAPSA-N 1 3 393.575 4.340 50 0 GIAAHO CC(=O)Nc1ccc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccccc3C)C2)cc1 ZINC000014975671 570868574 /nfs/dbraw/zinc/86/85/74/570868574.db2.gz RKSDVDMDUOHFCA-HSZRJFAPSA-N 1 3 393.575 4.340 50 0 GIAAHO Nc1ccnc2ccc(-c3cccc(C(=O)NCC[NH+]4CCCCCC4)c3)cc12 ZINC000534673717 570921703 /nfs/dbraw/zinc/92/17/03/570921703.db2.gz PYYXVCLJFSUGSA-UHFFFAOYSA-N 1 3 388.515 4.090 50 0 GIAAHO c1nc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)cs1 ZINC000095525531 571090651 /nfs/dbraw/zinc/09/06/51/571090651.db2.gz GTQRHILEUOKADP-HXUWFJFHSA-N 1 3 390.641 4.086 50 0 GIAAHO c1nc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)cs1 ZINC000095525531 571090656 /nfs/dbraw/zinc/09/06/56/571090656.db2.gz GTQRHILEUOKADP-HXUWFJFHSA-N 1 3 390.641 4.086 50 0 GIAAHO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2cccc(SC)c2)CC1 ZINC000055199066 205146293 /nfs/dbraw/zinc/14/62/93/205146293.db2.gz KOAJFYJPNSQBJF-UHFFFAOYSA-N 1 3 399.604 4.164 50 0 GIAAHO Cc1cc(N2CCC3(CCC[N@@H+]3Cc3ccc(CO)o3)CC2)c2ccccc2n1 ZINC000072428647 136169989 /nfs/dbraw/zinc/16/99/89/136169989.db2.gz FEMPVCBXWJVDAD-UHFFFAOYSA-N 1 3 391.515 4.264 50 0 GIAAHO Cc1cc(N2CCC3(CCC[N@H+]3Cc3ccc(CO)o3)CC2)c2ccccc2n1 ZINC000072428647 136169990 /nfs/dbraw/zinc/16/99/90/136169990.db2.gz FEMPVCBXWJVDAD-UHFFFAOYSA-N 1 3 391.515 4.264 50 0 GIAAHO Cc1cccc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000020910549 570284146 /nfs/dbraw/zinc/28/41/46/570284146.db2.gz PJQQKJZWRNQLII-HSZRJFAPSA-N 1 3 398.639 4.333 50 0 GIAAHO Cc1cccc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000020910549 570284148 /nfs/dbraw/zinc/28/41/48/570284148.db2.gz PJQQKJZWRNQLII-HSZRJFAPSA-N 1 3 398.639 4.333 50 0 GIAAHO CCOc1ccc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccc(OC)cc3)C2)cc1 ZINC000012596832 570689710 /nfs/dbraw/zinc/68/97/10/570689710.db2.gz ZSRCUIUSMMQNNW-QHCPKHFHSA-N 1 3 396.575 4.480 50 0 GIAAHO CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccc(OC)cc3)C2)cc1 ZINC000012596832 570689713 /nfs/dbraw/zinc/68/97/13/570689713.db2.gz ZSRCUIUSMMQNNW-QHCPKHFHSA-N 1 3 396.575 4.480 50 0 GIAAHO COCc1cc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)ccc1OC ZINC000012754599 570710302 /nfs/dbraw/zinc/71/03/02/570710302.db2.gz CBBYAZYQZXRFKJ-UHFFFAOYSA-N 1 3 386.536 4.087 50 0 GIAAHO COCc1cc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)ccc1OC ZINC000012754599 570710306 /nfs/dbraw/zinc/71/03/06/570710306.db2.gz CBBYAZYQZXRFKJ-UHFFFAOYSA-N 1 3 386.536 4.087 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3c[nH]nc3-c3ccccc3)CC2)o1 ZINC000015077828 570879019 /nfs/dbraw/zinc/87/90/19/570879019.db2.gz LNLBYXUJDWZZPV-UHFFFAOYSA-N 1 3 378.520 4.322 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3c[nH]nc3-c3ccccc3)CC2)o1 ZINC000015077828 570879022 /nfs/dbraw/zinc/87/90/22/570879022.db2.gz LNLBYXUJDWZZPV-UHFFFAOYSA-N 1 3 378.520 4.322 50 0 GIAAHO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2ccc(Cl)cc2)CC1 ZINC000055195767 822944855 /nfs/dbraw/zinc/94/48/55/822944855.db2.gz SCCNXFUWAWXNHD-UHFFFAOYSA-N 1 3 387.955 4.096 50 0 GIAAHO C[N@@H+](Cc1ccc2nsnc2c1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000014948259 207032941 /nfs/dbraw/zinc/03/29/41/207032941.db2.gz HPBCDPQIHSHKQG-LJQANCHMSA-N 1 3 398.551 4.217 50 0 GIAAHO C[N@H+](Cc1ccc2nsnc2c1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000014948259 207032946 /nfs/dbraw/zinc/03/29/46/207032946.db2.gz HPBCDPQIHSHKQG-LJQANCHMSA-N 1 3 398.551 4.217 50 0 GIAAHO c1cc([C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)nc(SCCN2CCCC2)n1 ZINC000014958804 207034157 /nfs/dbraw/zinc/03/41/57/207034157.db2.gz SPRVECQWUVNPFJ-PMACEKPBSA-N 1 3 386.609 4.200 50 0 GIAAHO c1cc([C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)nc(SCCN2CCCC2)n1 ZINC000014958804 207034162 /nfs/dbraw/zinc/03/41/62/207034162.db2.gz SPRVECQWUVNPFJ-PMACEKPBSA-N 1 3 386.609 4.200 50 0 GIAAHO CN(C)Cc1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)o1 ZINC000299795134 209091509 /nfs/dbraw/zinc/09/15/09/209091509.db2.gz NXEJXJVRNYRALC-OTWHNJEPSA-N 1 3 378.476 4.084 50 0 GIAAHO CN(C)Cc1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)o1 ZINC000299795134 209091512 /nfs/dbraw/zinc/09/15/12/209091512.db2.gz NXEJXJVRNYRALC-OTWHNJEPSA-N 1 3 378.476 4.084 50 0 GIAAHO Cc1nc[nH]c1C[N@@H+]1CCCC12CCN(c1cc(C)nc3ccccc31)CC2 ZINC000072418898 136169738 /nfs/dbraw/zinc/16/97/38/136169738.db2.gz VNBCSUZPDVUNRM-UHFFFAOYSA-N 1 3 375.520 4.210 50 0 GIAAHO Cc1nc[nH]c1C[N@H+]1CCCC12CCN(c1cc(C)nc3ccccc31)CC2 ZINC000072418898 136169739 /nfs/dbraw/zinc/16/97/39/136169739.db2.gz VNBCSUZPDVUNRM-UHFFFAOYSA-N 1 3 375.520 4.210 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cccn3-c3nccs3)CC2)o1 ZINC000011879303 570591220 /nfs/dbraw/zinc/59/12/20/570591220.db2.gz HRBKZBOAHXKRGI-UHFFFAOYSA-N 1 3 384.549 4.179 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cccn3-c3nccs3)CC2)o1 ZINC000011879303 570591225 /nfs/dbraw/zinc/59/12/25/570591225.db2.gz HRBKZBOAHXKRGI-UHFFFAOYSA-N 1 3 384.549 4.179 50 0 GIAAHO COc1ccc(CN(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c(F)c1 ZINC000012303405 570637640 /nfs/dbraw/zinc/63/76/40/570637640.db2.gz AUDAPJSJVSDMCR-UHFFFAOYSA-N 1 3 388.502 4.360 50 0 GIAAHO CCOc1ccccc1CN(C)CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000012836714 570723507 /nfs/dbraw/zinc/72/35/07/570723507.db2.gz CTJUCPGPYJZYHC-UHFFFAOYSA-N 1 3 396.575 4.480 50 0 GIAAHO COCC[N@H+](CC1CCN(Cc2ccccc2OC)CC1)C[C@@H]1CC=CCC1 ZINC000012596172 570884487 /nfs/dbraw/zinc/88/44/87/570884487.db2.gz AKTWKXGFVSIHBR-OAQYLSRUSA-N 1 3 386.580 4.212 50 0 GIAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2OC)CC1)C[C@@H]1CC=CCC1 ZINC000012596172 570884489 /nfs/dbraw/zinc/88/44/89/570884489.db2.gz AKTWKXGFVSIHBR-OAQYLSRUSA-N 1 3 386.580 4.212 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3nc4ccccc4nc3C)CC2)o1 ZINC000014954145 818278996 /nfs/dbraw/zinc/27/89/96/818278996.db2.gz DIMHHUGLMMLCAT-UHFFFAOYSA-N 1 3 378.520 4.184 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3nc4ccccc4nc3C)CC2)o1 ZINC000014954145 818279001 /nfs/dbraw/zinc/27/90/01/818279001.db2.gz DIMHHUGLMMLCAT-UHFFFAOYSA-N 1 3 378.520 4.184 50 0 GIAAHO c1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)co1 ZINC000011950743 206226198 /nfs/dbraw/zinc/22/61/98/206226198.db2.gz KNAFGVAUXVWJMA-RUZDIDTESA-N 1 3 394.559 4.140 50 0 GIAAHO C[N@H+](CC1CCN(CCc2cccc(F)c2)CC1)C[C@@H]1CCOC(C)(C)C1 ZINC000014964572 207035153 /nfs/dbraw/zinc/03/51/53/207035153.db2.gz YOPUQFPHVIAKLZ-OAQYLSRUSA-N 1 3 376.560 4.217 50 0 GIAAHO C[N@@H+](CC1CCN(CCc2cccc(F)c2)CC1)C[C@@H]1CCOC(C)(C)C1 ZINC000014964572 207035156 /nfs/dbraw/zinc/03/51/56/207035156.db2.gz YOPUQFPHVIAKLZ-OAQYLSRUSA-N 1 3 376.560 4.217 50 0 GIAAHO Fc1ccc(N2CCC(N3CC[C@@]4(C3)CCC[N@H+](CC3CCC3)C4)CC2)cc1 ZINC000012318212 207287056 /nfs/dbraw/zinc/28/70/56/207287056.db2.gz BEKWYHCPSWYJFG-DEOSSOPVSA-N 1 3 385.571 4.383 50 0 GIAAHO Fc1ccc(N2CCC(N3CC[C@@]4(C3)CCC[N@@H+](CC3CCC3)C4)CC2)cc1 ZINC000012318212 207287060 /nfs/dbraw/zinc/28/70/60/207287060.db2.gz BEKWYHCPSWYJFG-DEOSSOPVSA-N 1 3 385.571 4.383 50 0 GIAAHO Fc1ccc(N2CCC([N@@H+]3CC[C@@]4(C3)CCCN(CC3CCC3)C4)CC2)cc1 ZINC000012318212 207287064 /nfs/dbraw/zinc/28/70/64/207287064.db2.gz BEKWYHCPSWYJFG-DEOSSOPVSA-N 1 3 385.571 4.383 50 0 GIAAHO Fc1ccc(N2CCC([N@H+]3CC[C@@]4(C3)CCCN(CC3CCC3)C4)CC2)cc1 ZINC000012318212 207287068 /nfs/dbraw/zinc/28/70/68/207287068.db2.gz BEKWYHCPSWYJFG-DEOSSOPVSA-N 1 3 385.571 4.383 50 0 GIAAHO O=C(CC[C@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)s2)C1)NC1CC1 ZINC000012004724 570598332 /nfs/dbraw/zinc/59/83/32/570598332.db2.gz JJVRWNDRNICFFU-GOSISDBHSA-N 1 3 389.609 4.005 50 0 GIAAHO c1ccc(-c2noc(C3CCN(C[C@@H]4CCC[N@@H+]5CCCC[C@H]45)CC3)n2)cc1 ZINC000055269946 570689401 /nfs/dbraw/zinc/68/94/01/570689401.db2.gz CNTYSQHNBQGEKO-LEWJYISDSA-N 1 3 380.536 4.181 50 0 GIAAHO c1ccc(-c2noc(C3CCN(C[C@@H]4CCC[N@H+]5CCCC[C@H]45)CC3)n2)cc1 ZINC000055269946 570689402 /nfs/dbraw/zinc/68/94/02/570689402.db2.gz CNTYSQHNBQGEKO-LEWJYISDSA-N 1 3 380.536 4.181 50 0 GIAAHO Cc1nc2c(s1)[C@H]([NH+]1CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC1)CCC2 ZINC000170602810 570861970 /nfs/dbraw/zinc/86/19/70/570861970.db2.gz BKPWTQHTQNDHHJ-GQIGUUNPSA-N 1 3 377.598 4.040 50 0 GIAAHO COCC[N@H+](CC1CCN(Cc2ccccc2OC)CC1)C[C@H]1CC=CCC1 ZINC000012596168 570884543 /nfs/dbraw/zinc/88/45/43/570884543.db2.gz AKTWKXGFVSIHBR-NRFANRHFSA-N 1 3 386.580 4.212 50 0 GIAAHO COCC[N@@H+](CC1CCN(Cc2ccccc2OC)CC1)C[C@H]1CC=CCC1 ZINC000012596168 570884546 /nfs/dbraw/zinc/88/45/46/570884546.db2.gz AKTWKXGFVSIHBR-NRFANRHFSA-N 1 3 386.580 4.212 50 0 GIAAHO CC(C)CC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012752267 818180724 /nfs/dbraw/zinc/18/07/24/818180724.db2.gz PDTZBEIXUHRLPZ-OAQYLSRUSA-N 1 3 377.617 4.002 50 0 GIAAHO CC(C)CC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012752267 818180728 /nfs/dbraw/zinc/18/07/28/818180728.db2.gz PDTZBEIXUHRLPZ-OAQYLSRUSA-N 1 3 377.617 4.002 50 0 GIAAHO COC(=O)CC[C@H]1C[N@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1N(C)C ZINC000014998736 207039797 /nfs/dbraw/zinc/03/97/97/207039797.db2.gz IJSYVHHGDCWUMF-LADGPHEKSA-N 1 3 394.559 4.024 50 0 GIAAHO COC(=O)CC[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1N(C)C ZINC000014998736 207039798 /nfs/dbraw/zinc/03/97/98/207039798.db2.gz IJSYVHHGDCWUMF-LADGPHEKSA-N 1 3 394.559 4.024 50 0 GIAAHO COC(=O)CC[C@H]1CN(CC(c2ccccc2)c2ccccc2)CC[C@H]1[NH+](C)C ZINC000014998736 207039799 /nfs/dbraw/zinc/03/97/99/207039799.db2.gz IJSYVHHGDCWUMF-LADGPHEKSA-N 1 3 394.559 4.024 50 0 GIAAHO Fc1ccc(N2CCC(N3CC[C@]4(C3)CCC[N@H+](CC3CCC3)C4)CC2)cc1 ZINC000012318210 207288183 /nfs/dbraw/zinc/28/81/83/207288183.db2.gz BEKWYHCPSWYJFG-XMMPIXPASA-N 1 3 385.571 4.383 50 0 GIAAHO Fc1ccc(N2CCC(N3CC[C@]4(C3)CCC[N@@H+](CC3CCC3)C4)CC2)cc1 ZINC000012318210 207288186 /nfs/dbraw/zinc/28/81/86/207288186.db2.gz BEKWYHCPSWYJFG-XMMPIXPASA-N 1 3 385.571 4.383 50 0 GIAAHO Fc1ccc(N2CCC([N@@H+]3CC[C@]4(C3)CCCN(CC3CCC3)C4)CC2)cc1 ZINC000012318210 207288191 /nfs/dbraw/zinc/28/81/91/207288191.db2.gz BEKWYHCPSWYJFG-XMMPIXPASA-N 1 3 385.571 4.383 50 0 GIAAHO Fc1ccc(N2CCC([N@H+]3CC[C@]4(C3)CCCN(CC3CCC3)C4)CC2)cc1 ZINC000012318210 207288195 /nfs/dbraw/zinc/28/81/95/207288195.db2.gz BEKWYHCPSWYJFG-XMMPIXPASA-N 1 3 385.571 4.383 50 0 GIAAHO Cc1ccccc1CNCc1cccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000012303157 570637166 /nfs/dbraw/zinc/63/71/66/570637166.db2.gz UAXARCAQPDXBCZ-XMMPIXPASA-N 1 3 396.575 4.289 50 0 GIAAHO Cc1ccccc1CNCc1cccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c1 ZINC000012303157 570637170 /nfs/dbraw/zinc/63/71/70/570637170.db2.gz UAXARCAQPDXBCZ-XMMPIXPASA-N 1 3 396.575 4.289 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cnn(-c4ccccc4F)c3)CC2)o1 ZINC000012372895 570648224 /nfs/dbraw/zinc/64/82/24/570648224.db2.gz YTOTYMZIRNPUHH-UHFFFAOYSA-N 1 3 396.510 4.257 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cnn(-c4ccccc4F)c3)CC2)o1 ZINC000012372895 570648228 /nfs/dbraw/zinc/64/82/28/570648228.db2.gz YTOTYMZIRNPUHH-UHFFFAOYSA-N 1 3 396.510 4.257 50 0 GIAAHO Cc1nc2c(s1)[C@@H]([NH+]1CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC1)CCC2 ZINC000170602811 570861871 /nfs/dbraw/zinc/86/18/71/570861871.db2.gz BKPWTQHTQNDHHJ-YRNRMSPPSA-N 1 3 377.598 4.040 50 0 GIAAHO O[C@@H](COc1cccc(CNC2(c3ccccc3)CC2)c1)C[NH+]1CCCCCC1 ZINC000012584701 818168514 /nfs/dbraw/zinc/16/85/14/818168514.db2.gz MTNACMIDNZSNES-HSZRJFAPSA-N 1 3 394.559 4.081 50 0 GIAAHO CC(=O)Nc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3)cc1 ZINC000055053644 822935290 /nfs/dbraw/zinc/93/52/90/822935290.db2.gz YGPXMTOMLLOODW-RUZDIDTESA-N 1 3 391.559 4.442 50 0 GIAAHO CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)c2)C3)cc1 ZINC000055053644 822935294 /nfs/dbraw/zinc/93/52/94/822935294.db2.gz YGPXMTOMLLOODW-RUZDIDTESA-N 1 3 391.559 4.442 50 0 GIAAHO COc1ccc(CCN2CCC[C@@H](C[N@H+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879910 570591082 /nfs/dbraw/zinc/59/10/82/570591082.db2.gz LLZAZGGWTAUFPP-QFIPXVFZSA-N 1 3 382.548 4.090 50 0 GIAAHO COc1ccc(CCN2CCC[C@@H](C[N@@H+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879910 570591086 /nfs/dbraw/zinc/59/10/86/570591086.db2.gz LLZAZGGWTAUFPP-QFIPXVFZSA-N 1 3 382.548 4.090 50 0 GIAAHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccccc2c1Cl ZINC000058248638 570723246 /nfs/dbraw/zinc/72/32/46/570723246.db2.gz KZBJLMLJCSCULO-OAHLLOKOSA-N 1 3 393.984 4.043 50 0 GIAAHO COc1cccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012055073 570957152 /nfs/dbraw/zinc/95/71/52/570957152.db2.gz YZQDFEMCBPPWKU-DEOSSOPVSA-N 1 3 386.580 4.331 50 0 GIAAHO Cc1ccccc1CC[NH+]1CCC(CN(Cc2ncc[nH]2)C2CCCC2)CC1 ZINC000012316507 818154588 /nfs/dbraw/zinc/15/45/88/818154588.db2.gz FKCGIONKVLMFEH-UHFFFAOYSA-N 1 3 380.580 4.417 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc(-n4cccn4)cc3)CC2)o1 ZINC000014977764 207037244 /nfs/dbraw/zinc/03/72/44/207037244.db2.gz PBJCNQFMLGWULJ-UHFFFAOYSA-N 1 3 378.520 4.118 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc(-n4cccn4)cc3)CC2)o1 ZINC000014977764 207037248 /nfs/dbraw/zinc/03/72/48/207037248.db2.gz PBJCNQFMLGWULJ-UHFFFAOYSA-N 1 3 378.520 4.118 50 0 GIAAHO C[N@@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCNC3)C1 ZINC000299762760 209083780 /nfs/dbraw/zinc/08/37/80/209083780.db2.gz AKIKUCUYSASDCP-MRXNPFEDSA-N 1 3 386.923 4.210 50 0 GIAAHO C[N@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCNC3)C1 ZINC000299762760 209083786 /nfs/dbraw/zinc/08/37/86/209083786.db2.gz AKIKUCUYSASDCP-MRXNPFEDSA-N 1 3 386.923 4.210 50 0 GIAAHO CC(=O)Nc1ccc(CNCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)cc1 ZINC000047721623 570214420 /nfs/dbraw/zinc/21/44/20/570214420.db2.gz VIVBXINZMNMIBM-OALUTQOASA-N 1 3 379.548 4.413 50 0 GIAAHO CC(=O)Nc1ccc(CNCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)cc1 ZINC000047721625 570214477 /nfs/dbraw/zinc/21/44/77/570214477.db2.gz VIVBXINZMNMIBM-RTBURBONSA-N 1 3 379.548 4.413 50 0 GIAAHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@H]4c4ccccc4)[C@@H]3C2)cc1 ZINC000191858373 570441801 /nfs/dbraw/zinc/44/18/01/570441801.db2.gz XJVSDCMEXSTBLQ-GIDFYXQGSA-N 1 3 376.544 4.264 50 0 GIAAHO CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000130156959 570464127 /nfs/dbraw/zinc/46/41/27/570464127.db2.gz BYPYATDQXAQMJQ-MOPGFXCFSA-N 1 3 379.589 4.209 50 0 GIAAHO COc1ccc(CC[NH+]2CCC(CN(C)Cc3cccc(C(C)=O)c3)CC2)cc1 ZINC000012592634 570688292 /nfs/dbraw/zinc/68/82/92/570688292.db2.gz KQHKMSIBQOSMOY-UHFFFAOYSA-N 1 3 394.559 4.284 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cnn(-c4cccc(F)c4)c3)CC2)o1 ZINC000012716130 818177544 /nfs/dbraw/zinc/17/75/44/818177544.db2.gz WULOZAHMYKOIKP-UHFFFAOYSA-N 1 3 396.510 4.257 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cnn(-c4cccc(F)c4)c3)CC2)o1 ZINC000012716130 818177550 /nfs/dbraw/zinc/17/75/50/818177550.db2.gz WULOZAHMYKOIKP-UHFFFAOYSA-N 1 3 396.510 4.257 50 0 GIAAHO CC[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000014968654 207035289 /nfs/dbraw/zinc/03/52/89/207035289.db2.gz HYTXEDZJZZZLOV-JOCHJYFZSA-N 1 3 398.595 4.249 50 0 GIAAHO CC[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000014968654 207035293 /nfs/dbraw/zinc/03/52/93/207035293.db2.gz HYTXEDZJZZZLOV-JOCHJYFZSA-N 1 3 398.595 4.249 50 0 GIAAHO O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000017363087 207089506 /nfs/dbraw/zinc/08/95/06/207089506.db2.gz YXBWJUCLESJQNS-UHFFFAOYSA-N 1 3 391.559 4.067 50 0 GIAAHO C[N@H+](C[C@@H](O)COc1cccc(CN2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511580 208214549 /nfs/dbraw/zinc/21/45/49/208214549.db2.gz JKLQISNSBUGCTA-JOCHJYFZSA-N 1 3 386.580 4.209 50 0 GIAAHO C[N@@H+](C[C@@H](O)COc1cccc(CN2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511580 208214554 /nfs/dbraw/zinc/21/45/54/208214554.db2.gz JKLQISNSBUGCTA-JOCHJYFZSA-N 1 3 386.580 4.209 50 0 GIAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[N@@H+]2CCCCC23CC3)cc1 ZINC000095521799 208219332 /nfs/dbraw/zinc/21/93/32/208219332.db2.gz XASBORKELHCMQW-QHCPKHFHSA-N 1 3 394.559 4.077 50 0 GIAAHO CN(Cc1ccccc1)C[C@H](O)COc1ccc(C[N@H+]2CCCCC23CC3)cc1 ZINC000095521799 208219337 /nfs/dbraw/zinc/21/93/37/208219337.db2.gz XASBORKELHCMQW-QHCPKHFHSA-N 1 3 394.559 4.077 50 0 GIAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874999 207218339 /nfs/dbraw/zinc/21/83/39/207218339.db2.gz PYESKPYCRHCCCG-UHFFFAOYSA-N 1 3 376.928 4.277 50 0 GIAAHO c1coc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000011817353 570584894 /nfs/dbraw/zinc/58/48/94/570584894.db2.gz BCVYGLZFTXYOJY-VWLOTQADSA-N 1 3 394.559 4.140 50 0 GIAAHO Fc1ccccc1N1CCC(N2CC[C@]3(C2)CCC[N@H+](CC2CCC2)C3)CC1 ZINC000012315344 818154542 /nfs/dbraw/zinc/15/45/42/818154542.db2.gz BMBGMGWHGDHZBA-XMMPIXPASA-N 1 3 385.571 4.383 50 0 GIAAHO Fc1ccccc1N1CCC(N2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)CC1 ZINC000012315344 818154546 /nfs/dbraw/zinc/15/45/46/818154546.db2.gz BMBGMGWHGDHZBA-XMMPIXPASA-N 1 3 385.571 4.383 50 0 GIAAHO CC(C)CC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012752271 818181293 /nfs/dbraw/zinc/18/12/93/818181293.db2.gz PDTZBEIXUHRLPZ-NRFANRHFSA-N 1 3 377.617 4.002 50 0 GIAAHO CC(C)CC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012752271 818181297 /nfs/dbraw/zinc/18/12/97/818181297.db2.gz PDTZBEIXUHRLPZ-NRFANRHFSA-N 1 3 377.617 4.002 50 0 GIAAHO CCOc1cc(CN(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000014950148 207033491 /nfs/dbraw/zinc/03/34/91/207033491.db2.gz OWUJQCUXOOMYEP-HSZRJFAPSA-N 1 3 396.575 4.480 50 0 GIAAHO CCOc1cc(CN(CCc2ccccc2)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000014950148 207033494 /nfs/dbraw/zinc/03/34/94/207033494.db2.gz OWUJQCUXOOMYEP-HSZRJFAPSA-N 1 3 396.575 4.480 50 0 GIAAHO COCC[N@H+](CCCC(F)(F)F)CC1CCN(Cc2ccccc2F)CC1 ZINC000012298334 207286581 /nfs/dbraw/zinc/28/65/81/207286581.db2.gz SQVPPBUWLAWLQE-UHFFFAOYSA-N 1 3 390.465 4.329 50 0 GIAAHO COCC[N@@H+](CCCC(F)(F)F)CC1CCN(Cc2ccccc2F)CC1 ZINC000012298334 207286585 /nfs/dbraw/zinc/28/65/85/207286585.db2.gz SQVPPBUWLAWLQE-UHFFFAOYSA-N 1 3 390.465 4.329 50 0 GIAAHO Cc1cc(C)n(CCCN2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)c2)C3)n1 ZINC000011878453 570590408 /nfs/dbraw/zinc/59/04/08/570590408.db2.gz QCOXWDIPXPFLED-DEOSSOPVSA-N 1 3 380.580 4.187 50 0 GIAAHO Cc1cc(C)n(CCCN2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)n1 ZINC000011878453 570590409 /nfs/dbraw/zinc/59/04/09/570590409.db2.gz QCOXWDIPXPFLED-DEOSSOPVSA-N 1 3 380.580 4.187 50 0 GIAAHO COc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000012054148 570601643 /nfs/dbraw/zinc/60/16/43/570601643.db2.gz WEWHKOOHXDPLAS-XMMPIXPASA-N 1 3 386.580 4.331 50 0 GIAAHO C[N@@H+](Cc1ccc2nsnc2c1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000014948256 210131215 /nfs/dbraw/zinc/13/12/15/210131215.db2.gz HPBCDPQIHSHKQG-IBGZPJMESA-N 1 3 398.551 4.217 50 0 GIAAHO C[N@H+](Cc1ccc2nsnc2c1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000014948256 210131220 /nfs/dbraw/zinc/13/12/20/210131220.db2.gz HPBCDPQIHSHKQG-IBGZPJMESA-N 1 3 398.551 4.217 50 0 GIAAHO Cc1nc(CN(C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)c[nH]1 ZINC000095496766 211251320 /nfs/dbraw/zinc/25/13/20/211251320.db2.gz MIVLGDZTZMNKLL-UHFFFAOYSA-N 1 3 394.485 4.123 50 0 GIAAHO Cc1ncc(CN(C)CC2CC[NH+](CCc3cccc(C(F)(F)F)c3)CC2)[nH]1 ZINC000095496766 211251324 /nfs/dbraw/zinc/25/13/24/211251324.db2.gz MIVLGDZTZMNKLL-UHFFFAOYSA-N 1 3 394.485 4.123 50 0 GIAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2ccncc2)C[C@H]2CCCO2)CC1 ZINC000095497838 211250785 /nfs/dbraw/zinc/25/07/85/211250785.db2.gz QLMSLHMFEXHBQC-RUZDIDTESA-N 1 3 393.575 4.283 50 0 GIAAHO c1cncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000020910238 210368393 /nfs/dbraw/zinc/36/83/93/210368393.db2.gz SNRKJHSHNKLCLQ-QHCPKHFHSA-N 1 3 384.612 4.024 50 0 GIAAHO c1cncc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000020910238 210368398 /nfs/dbraw/zinc/36/83/98/210368398.db2.gz SNRKJHSHNKLCLQ-QHCPKHFHSA-N 1 3 384.612 4.024 50 0 GIAAHO Cc1c(CN2CCC([C@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)cnn1C ZINC000020782375 210361058 /nfs/dbraw/zinc/36/10/58/210361058.db2.gz UKZODUDAJMGZNX-FQEVSTJZSA-N 1 3 386.971 4.116 50 0 GIAAHO Cc1c(CN2CCC([C@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)CC2)cnn1C ZINC000020782375 210361061 /nfs/dbraw/zinc/36/10/61/210361061.db2.gz UKZODUDAJMGZNX-FQEVSTJZSA-N 1 3 386.971 4.116 50 0 GIAAHO Cc1cc(C[N@@H+]2CCCC23CCN(c2cc(C)nc4ccccc42)CC3)on1 ZINC000072434217 136170169 /nfs/dbraw/zinc/17/01/69/136170169.db2.gz GCAMPKIQZQHMEW-UHFFFAOYSA-N 1 3 376.504 4.475 50 0 GIAAHO Cc1cc(C[N@H+]2CCCC23CCN(c2cc(C)nc4ccccc42)CC3)on1 ZINC000072434217 136170170 /nfs/dbraw/zinc/17/01/70/136170170.db2.gz GCAMPKIQZQHMEW-UHFFFAOYSA-N 1 3 376.504 4.475 50 0 GIAAHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@H]4c4ccccc4)[C@H]3C2)cc1 ZINC000248861805 570389884 /nfs/dbraw/zinc/38/98/84/570389884.db2.gz XJVSDCMEXSTBLQ-KEOOTSPTSA-N 1 3 376.544 4.264 50 0 GIAAHO CCN(Cc1ccc2nonc2c1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011814325 570583496 /nfs/dbraw/zinc/58/34/96/570583496.db2.gz HLPQRSGCGVFLHW-FQEVSTJZSA-N 1 3 396.510 4.139 50 0 GIAAHO CCN(Cc1ccc2nonc2c1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011814325 570583500 /nfs/dbraw/zinc/58/35/00/570583500.db2.gz HLPQRSGCGVFLHW-FQEVSTJZSA-N 1 3 396.510 4.139 50 0 GIAAHO O=C(CC[C@@H]1CCCN(Cc2ccc(C[NH+]3CCCCC3)s2)C1)NC1CC1 ZINC000012004720 570598280 /nfs/dbraw/zinc/59/82/80/570598280.db2.gz JJVRWNDRNICFFU-SFHVURJKSA-N 1 3 389.609 4.005 50 0 GIAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720569 570605471 /nfs/dbraw/zinc/60/54/71/570605471.db2.gz FBASMBIMTUCEBB-UHFFFAOYSA-N 1 3 376.928 4.277 50 0 GIAAHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc2ccccc2c1Cl ZINC000058248644 570723313 /nfs/dbraw/zinc/72/33/13/570723313.db2.gz KZBJLMLJCSCULO-HNNXBMFYSA-N 1 3 393.984 4.043 50 0 GIAAHO O=C(CCC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012574195 818167792 /nfs/dbraw/zinc/16/77/92/818167792.db2.gz GGHMTSCKQCCNKS-XMMPIXPASA-N 1 3 397.607 4.060 50 0 GIAAHO COc1cccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012055075 570957247 /nfs/dbraw/zinc/95/72/47/570957247.db2.gz YZQDFEMCBPPWKU-XMMPIXPASA-N 1 3 386.580 4.331 50 0 GIAAHO C[N@H+](CC1CCN(CCc2cccc(F)c2)CC1)C[C@H]1CCOC(C)(C)C1 ZINC000014964577 210135604 /nfs/dbraw/zinc/13/56/04/210135604.db2.gz YOPUQFPHVIAKLZ-NRFANRHFSA-N 1 3 376.560 4.217 50 0 GIAAHO C[N@@H+](CC1CCN(CCc2cccc(F)c2)CC1)C[C@H]1CCOC(C)(C)C1 ZINC000014964577 210135610 /nfs/dbraw/zinc/13/56/10/210135610.db2.gz YOPUQFPHVIAKLZ-NRFANRHFSA-N 1 3 376.560 4.217 50 0 GIAAHO Cc1cccc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000020910545 210368975 /nfs/dbraw/zinc/36/89/75/210368975.db2.gz PJQQKJZWRNQLII-QHCPKHFHSA-N 1 3 398.639 4.333 50 0 GIAAHO Cc1cccc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000020910545 210368985 /nfs/dbraw/zinc/36/89/85/210368985.db2.gz PJQQKJZWRNQLII-QHCPKHFHSA-N 1 3 398.639 4.333 50 0 GIAAHO COc1ccccc1CN1CCC(C[N@@H+](Cc2cnn(C)c2C)CC(C)C)CC1 ZINC000011816144 570584261 /nfs/dbraw/zinc/58/42/61/570584261.db2.gz YBPOWDZPWDNUHV-UHFFFAOYSA-N 1 3 398.595 4.107 50 0 GIAAHO COc1ccccc1CN1CCC(C[N@H+](Cc2cnn(C)c2C)CC(C)C)CC1 ZINC000011816144 570584264 /nfs/dbraw/zinc/58/42/64/570584264.db2.gz YBPOWDZPWDNUHV-UHFFFAOYSA-N 1 3 398.595 4.107 50 0 GIAAHO COCc1ccc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012612547 570690652 /nfs/dbraw/zinc/69/06/52/570690652.db2.gz UXFJPVZJYIKFBQ-NRFANRHFSA-N 1 3 390.568 4.062 50 0 GIAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000057263068 570701620 /nfs/dbraw/zinc/70/16/20/570701620.db2.gz BMHCRHJBQUMGFD-UHFFFAOYSA-N 1 3 380.891 4.108 50 0 GIAAHO c1cc([C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)nc(SCCN2CCCC2)n1 ZINC000014958798 818278960 /nfs/dbraw/zinc/27/89/60/818278960.db2.gz SPRVECQWUVNPFJ-VQTJNVASSA-N 1 3 386.609 4.200 50 0 GIAAHO c1cc([C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)nc(SCCN2CCCC2)n1 ZINC000014958798 818278965 /nfs/dbraw/zinc/27/89/65/818278965.db2.gz SPRVECQWUVNPFJ-VQTJNVASSA-N 1 3 386.609 4.200 50 0 GIAAHO C[NH+](C)CCCNC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002690148 209378412 /nfs/dbraw/zinc/37/84/12/209378412.db2.gz ZUXCZVPFDKRZKN-MRXNPFEDSA-N 1 3 394.346 4.004 50 0 GIAAHO C[C@@H](NCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000012936071 570311191 /nfs/dbraw/zinc/31/11/91/570311191.db2.gz KQNWKKDTIYYMQY-LJQANCHMSA-N 1 3 391.559 4.451 50 0 GIAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccccc1C ZINC000040720577 570605478 /nfs/dbraw/zinc/60/54/78/570605478.db2.gz OHYSJRKNTNWPPB-UHFFFAOYSA-N 1 3 376.928 4.277 50 0 GIAAHO CCCn1cc(CN(C)CC2CC[NH+](CCc3ccc(F)cc3)CC2)c(C)n1 ZINC000012203346 570625022 /nfs/dbraw/zinc/62/50/22/570625022.db2.gz TWZQAQKQPXMLRB-UHFFFAOYSA-N 1 3 386.559 4.127 50 0 GIAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@@H+]2CCCCC23CC3)cc1 ZINC000095521800 211267174 /nfs/dbraw/zinc/26/71/74/211267174.db2.gz XASBORKELHCMQW-HSZRJFAPSA-N 1 3 394.559 4.077 50 0 GIAAHO CN(Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@H+]2CCCCC23CC3)cc1 ZINC000095521800 211267180 /nfs/dbraw/zinc/26/71/80/211267180.db2.gz XASBORKELHCMQW-HSZRJFAPSA-N 1 3 394.559 4.077 50 0 GIAAHO c1ccc([C@@H]2C[N@@H+](C3CC3)CC3(CCN(CCc4ccccn4)CC3)C2)cc1 ZINC000095388213 211235742 /nfs/dbraw/zinc/23/57/42/211235742.db2.gz BEPQNURMHGLHJM-QFIPXVFZSA-N 1 3 375.560 4.358 50 0 GIAAHO c1ccc([C@@H]2C[N@H+](C3CC3)CC3(CCN(CCc4ccccn4)CC3)C2)cc1 ZINC000095388213 211235744 /nfs/dbraw/zinc/23/57/44/211235744.db2.gz BEPQNURMHGLHJM-QFIPXVFZSA-N 1 3 375.560 4.358 50 0 GIAAHO c1ccc2sc(N3CCCN(C[C@@H]4CCC[N@@H+]5CCCC[C@H]45)CC3)nc2c1 ZINC000072171722 211081836 /nfs/dbraw/zinc/08/18/36/211081836.db2.gz PGZZAWJCSDYGBK-AZUAARDMSA-N 1 3 384.593 4.073 50 0 GIAAHO c1ccc2sc(N3CCCN(C[C@@H]4CCC[N@H+]5CCCC[C@H]45)CC3)nc2c1 ZINC000072171722 211081843 /nfs/dbraw/zinc/08/18/43/211081843.db2.gz PGZZAWJCSDYGBK-AZUAARDMSA-N 1 3 384.593 4.073 50 0 GIAAHO CCn1ccnc1CN1CCCC12CCN(c1cc(C)[nH+]c3ccccc31)CC2 ZINC000072475702 136171239 /nfs/dbraw/zinc/17/12/39/136171239.db2.gz LDMDQWPJCIKXAS-UHFFFAOYSA-N 1 3 389.547 4.395 50 0 GIAAHO COCC[N@@H+](Cc1ccc(F)cc1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012713579 570703363 /nfs/dbraw/zinc/70/33/63/570703363.db2.gz JELQBJGXSHDOLB-UHFFFAOYSA-N 1 3 388.502 4.325 50 0 GIAAHO COCC[N@H+](Cc1ccc(F)cc1)CC1CCN(Cc2ccccc2F)CC1 ZINC000012713579 570703366 /nfs/dbraw/zinc/70/33/66/570703366.db2.gz JELQBJGXSHDOLB-UHFFFAOYSA-N 1 3 388.502 4.325 50 0 GIAAHO CCN(Cc1cccc(OC)c1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012725562 570706721 /nfs/dbraw/zinc/70/67/21/570706721.db2.gz ZNPMHSTYZDDRHR-HSZRJFAPSA-N 1 3 396.575 4.480 50 0 GIAAHO CCN(Cc1cccc(OC)c1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012725562 570706723 /nfs/dbraw/zinc/70/67/23/570706723.db2.gz ZNPMHSTYZDDRHR-HSZRJFAPSA-N 1 3 396.575 4.480 50 0 GIAAHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCO[C@@H]4c4ccccc4)[C@@H]3C2)cc1 ZINC000170072060 570801382 /nfs/dbraw/zinc/80/13/82/570801382.db2.gz XJVSDCMEXSTBLQ-ARXROMJUSA-N 1 3 376.544 4.264 50 0 GIAAHO Cc1nn(C)cc1C[N@@H+]1CCCC12CCN(c1cc(C)nc3ccccc31)CC2 ZINC000072477944 136171335 /nfs/dbraw/zinc/17/13/35/136171335.db2.gz YTEWGSCDTHGWPD-UHFFFAOYSA-N 1 3 389.547 4.220 50 0 GIAAHO Cc1nn(C)cc1C[N@H+]1CCCC12CCN(c1cc(C)nc3ccccc31)CC2 ZINC000072477944 136171336 /nfs/dbraw/zinc/17/13/36/136171336.db2.gz YTEWGSCDTHGWPD-UHFFFAOYSA-N 1 3 389.547 4.220 50 0 GIAAHO CCn1cc(C[N@@H+]2CCCC23CCN(c2cc(C)nc4ccccc42)CC3)cn1 ZINC000072432169 536051255 /nfs/dbraw/zinc/05/12/55/536051255.db2.gz VJGADNDWZDPWFO-UHFFFAOYSA-N 1 3 389.547 4.395 50 0 GIAAHO CCn1cc(C[N@H+]2CCCC23CCN(c2cc(C)nc4ccccc42)CC3)cn1 ZINC000072432169 536051259 /nfs/dbraw/zinc/05/12/59/536051259.db2.gz VJGADNDWZDPWFO-UHFFFAOYSA-N 1 3 389.547 4.395 50 0 GIAAHO CCCCc1nc(CN(C)CC2CC[NH+](CCc3cccc(F)c3)CC2)c[nH]1 ZINC000011819394 570585402 /nfs/dbraw/zinc/58/54/02/570585402.db2.gz LSRBOTMIPWISAT-UHFFFAOYSA-N 1 3 386.559 4.278 50 0 GIAAHO CC(C)n1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000067895045 211028175 /nfs/dbraw/zinc/02/81/75/211028175.db2.gz OYBVDOOPRWBENU-QHCPKHFHSA-N 1 3 388.600 4.100 50 0 GIAAHO CCn1c(CN(C)CC2CC[NH+](Cc3ccc(C)o3)CC2)nc2ccccc21 ZINC000011819840 221129958 /nfs/dbraw/zinc/12/99/58/221129958.db2.gz XJADJELTDSDXIE-UHFFFAOYSA-N 1 3 380.536 4.302 50 0 GIAAHO Cc1ccc2nccc(N3CCC[C@H](c4nccn4CCC[NH+](C)C)C3)c2c1 ZINC000095498225 136179798 /nfs/dbraw/zinc/17/97/98/136179798.db2.gz UQSLTYKVZNEYPQ-IBGZPJMESA-N 1 3 377.536 4.075 50 0 GIAAHO CC1(C)CC(NC[C@H](O)COC(c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000025329368 570410884 /nfs/dbraw/zinc/41/08/84/570410884.db2.gz BGHWTZLRRYJEDI-QFIPXVFZSA-N 1 3 396.575 4.052 50 0 GIAAHO CC1(C)CC([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC(C)(C)N1 ZINC000025329368 570410887 /nfs/dbraw/zinc/41/08/87/570410887.db2.gz BGHWTZLRRYJEDI-QFIPXVFZSA-N 1 3 396.575 4.052 50 0 GIAAHO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662019 570577035 /nfs/dbraw/zinc/57/70/35/570577035.db2.gz PYLLKFZVPVVKEW-JOCHJYFZSA-N 1 3 382.548 4.090 50 0 GIAAHO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3cccc(OC)c3)C2)cc1 ZINC000011662019 570577036 /nfs/dbraw/zinc/57/70/36/570577036.db2.gz PYLLKFZVPVVKEW-JOCHJYFZSA-N 1 3 382.548 4.090 50 0 GIAAHO O=C(C1=CCCC1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012574309 570682063 /nfs/dbraw/zinc/68/20/63/570682063.db2.gz DVLAEVFONRUNEH-NRFANRHFSA-N 1 3 387.612 4.066 50 0 GIAAHO O=C(C1=CCCC1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012574309 570682064 /nfs/dbraw/zinc/68/20/64/570682064.db2.gz DVLAEVFONRUNEH-NRFANRHFSA-N 1 3 387.612 4.066 50 0 GIAAHO CCOc1cccc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccc(OC)cc3)C2)c1 ZINC000055228089 570688420 /nfs/dbraw/zinc/68/84/20/570688420.db2.gz AULWIBKLWNFNDA-QHCPKHFHSA-N 1 3 396.575 4.480 50 0 GIAAHO CCOc1cccc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccc(OC)cc3)C2)c1 ZINC000055228089 570688421 /nfs/dbraw/zinc/68/84/21/570688421.db2.gz AULWIBKLWNFNDA-QHCPKHFHSA-N 1 3 396.575 4.480 50 0 GIAAHO CN(C)CCNC(=O)CCC1CC[NH+](Cc2ccc(C3CCCC3)s2)CC1 ZINC000012714790 570703754 /nfs/dbraw/zinc/70/37/54/570703754.db2.gz FAHVSNMGCOTWHE-UHFFFAOYSA-N 1 3 391.625 4.076 50 0 GIAAHO COCC[NH+]1CCC(CN(Cc2cc3ccccc3o2)Cc2ccncc2)CC1 ZINC000012448826 818160971 /nfs/dbraw/zinc/16/09/71/818160971.db2.gz BOSXQWRQFNCLHD-UHFFFAOYSA-N 1 3 393.531 4.188 50 0 GIAAHO COc1ccccc1-c1csc(C2CC[NH+](CC[C@H]3CCCN3C)CC2)n1 ZINC000191513003 823694045 /nfs/dbraw/zinc/69/40/45/823694045.db2.gz JQAOFKWBJAWPCH-GOSISDBHSA-N 1 3 385.577 4.482 50 0 GIAAHO CC(=O)Nc1ccc(C[N@H+](C)C[C@@H]2CCCN(CCc3ccccc3C)C2)cc1 ZINC000014975668 210137919 /nfs/dbraw/zinc/13/79/19/210137919.db2.gz RKSDVDMDUOHFCA-QHCPKHFHSA-N 1 3 393.575 4.340 50 0 GIAAHO CC(=O)Nc1ccc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccccc3C)C2)cc1 ZINC000014975668 210137923 /nfs/dbraw/zinc/13/79/23/210137923.db2.gz RKSDVDMDUOHFCA-QHCPKHFHSA-N 1 3 393.575 4.340 50 0 GIAAHO Cc1ccc2nccc(N3CCC[C@@H](c4nccn4CCC[NH+](C)C)C3)c2c1 ZINC000095498226 136179774 /nfs/dbraw/zinc/17/97/74/136179774.db2.gz UQSLTYKVZNEYPQ-LJQANCHMSA-N 1 3 377.536 4.075 50 0 GIAAHO C[C@H](NCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CCCC2 ZINC000012936076 570310906 /nfs/dbraw/zinc/31/09/06/570310906.db2.gz KQNWKKDTIYYMQY-IBGZPJMESA-N 1 3 391.559 4.451 50 0 GIAAHO CCN(Cc1ccc2nonc2c1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011814326 570583911 /nfs/dbraw/zinc/58/39/11/570583911.db2.gz HLPQRSGCGVFLHW-HXUWFJFHSA-N 1 3 396.510 4.139 50 0 GIAAHO CCN(Cc1ccc2nonc2c1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011814326 570583914 /nfs/dbraw/zinc/58/39/14/570583914.db2.gz HLPQRSGCGVFLHW-HXUWFJFHSA-N 1 3 396.510 4.139 50 0 GIAAHO CCOc1ccc(C[N@H+](C)C[C@H]2CCCN(CCc3ccc(OC)cc3)C2)cc1 ZINC000012596836 570689653 /nfs/dbraw/zinc/68/96/53/570689653.db2.gz ZSRCUIUSMMQNNW-HSZRJFAPSA-N 1 3 396.575 4.480 50 0 GIAAHO CCOc1ccc(C[N@@H+](C)C[C@H]2CCCN(CCc3ccc(OC)cc3)C2)cc1 ZINC000012596836 570689657 /nfs/dbraw/zinc/68/96/57/570689657.db2.gz ZSRCUIUSMMQNNW-HSZRJFAPSA-N 1 3 396.575 4.480 50 0 GIAAHO Cc1c(CN2CCC([C@@H]3CC[N@H+](Cc4ccc(Cl)cc4)C3)CC2)cnn1C ZINC000020782372 818631502 /nfs/dbraw/zinc/63/15/02/818631502.db2.gz UKZODUDAJMGZNX-HXUWFJFHSA-N 1 3 386.971 4.116 50 0 GIAAHO Cc1c(CN2CCC([C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4)C3)CC2)cnn1C ZINC000020782372 818631506 /nfs/dbraw/zinc/63/15/06/818631506.db2.gz UKZODUDAJMGZNX-HXUWFJFHSA-N 1 3 386.971 4.116 50 0 GIAAHO CCOc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccccc1 ZINC000008254063 221033414 /nfs/dbraw/zinc/03/34/14/221033414.db2.gz UUJLSIUAOCUZQX-UHFFFAOYSA-N 1 3 376.928 4.359 50 0 GIAAHO O=C(C1=CCCC1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012574303 221209256 /nfs/dbraw/zinc/20/92/56/221209256.db2.gz DVLAEVFONRUNEH-OAQYLSRUSA-N 1 3 387.612 4.066 50 0 GIAAHO O=C(C1=CCCC1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012574303 221209258 /nfs/dbraw/zinc/20/92/58/221209258.db2.gz DVLAEVFONRUNEH-OAQYLSRUSA-N 1 3 387.612 4.066 50 0 GIAAHO C[N@H+](C[C@@H](O)COc1cccc(CNCc2ccsc2)c1)C1CCCCC1 ZINC000012386502 221187558 /nfs/dbraw/zinc/18/75/58/221187558.db2.gz YKNXGFCZBADCIE-OAQYLSRUSA-N 1 3 388.577 4.042 50 0 GIAAHO C[N@@H+](C[C@@H](O)COc1cccc(CNCc2ccsc2)c1)C1CCCCC1 ZINC000012386502 221187560 /nfs/dbraw/zinc/18/75/60/221187560.db2.gz YKNXGFCZBADCIE-OAQYLSRUSA-N 1 3 388.577 4.042 50 0 GIAAHO CCOc1cc(CN(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000014950151 221321026 /nfs/dbraw/zinc/32/10/26/221321026.db2.gz OWUJQCUXOOMYEP-QHCPKHFHSA-N 1 3 396.575 4.480 50 0 GIAAHO CCOc1cc(CN(CCc2ccccc2)C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000014950151 221321027 /nfs/dbraw/zinc/32/10/27/221321027.db2.gz OWUJQCUXOOMYEP-QHCPKHFHSA-N 1 3 396.575 4.480 50 0 GIAAHO CC[C@H](c1ccccn1)[N@H+](C)Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000215871382 570292790 /nfs/dbraw/zinc/29/27/90/570292790.db2.gz WGQZWSJUFVSTPT-XMMPIXPASA-N 1 3 380.580 4.029 50 0 GIAAHO CC[C@H](c1ccccn1)[N@@H+](C)Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000215871382 570292793 /nfs/dbraw/zinc/29/27/93/570292793.db2.gz WGQZWSJUFVSTPT-XMMPIXPASA-N 1 3 380.580 4.029 50 0 GIAAHO COc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccccc1F ZINC000008373834 570530210 /nfs/dbraw/zinc/53/02/10/570530210.db2.gz WJLNXVWFZVIUQY-UHFFFAOYSA-N 1 3 380.891 4.108 50 0 GIAAHO Cc1ccc(Cl)cc1NC(=S)N(CCN(C)C)C1CC[NH+](C(C)C)CC1 ZINC000004712479 570857995 /nfs/dbraw/zinc/85/79/95/570857995.db2.gz HYBQIYZZEQMSIH-UHFFFAOYSA-N 1 3 397.032 4.082 50 0 GIAAHO CC(C)N1CCC(c2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)CC1 ZINC000299803059 570898131 /nfs/dbraw/zinc/89/81/31/570898131.db2.gz VVHNRYJQQSYWGW-HBMCJLEFSA-N 1 3 380.536 4.350 50 0 GIAAHO CC(C)N1CCC(c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)CC1 ZINC000299803059 570898133 /nfs/dbraw/zinc/89/81/33/570898133.db2.gz VVHNRYJQQSYWGW-HBMCJLEFSA-N 1 3 380.536 4.350 50 0 GIAAHO COCC[N@@H+](Cc1cccc(F)c1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011753959 221124676 /nfs/dbraw/zinc/12/46/76/221124676.db2.gz IEXYHJSGUMYSJU-UHFFFAOYSA-N 1 3 388.502 4.325 50 0 GIAAHO COCC[N@H+](Cc1cccc(F)c1)CC1CCN(Cc2ccccc2F)CC1 ZINC000011753959 221124679 /nfs/dbraw/zinc/12/46/79/221124679.db2.gz IEXYHJSGUMYSJU-UHFFFAOYSA-N 1 3 388.502 4.325 50 0 GIAAHO COc1cccc2c1OCC(C[N@H+](C)CC1CCN(Cc3ccc(C)o3)CC1)=C2 ZINC000015064267 221328242 /nfs/dbraw/zinc/32/82/42/221328242.db2.gz HHVHOVDKZABFFI-UHFFFAOYSA-N 1 3 396.531 4.216 50 0 GIAAHO COc1cccc2c1OCC(C[N@@H+](C)CC1CCN(Cc3ccc(C)o3)CC1)=C2 ZINC000015064267 221328243 /nfs/dbraw/zinc/32/82/43/221328243.db2.gz HHVHOVDKZABFFI-UHFFFAOYSA-N 1 3 396.531 4.216 50 0 GIAAHO Cc1c(C[N@@H+]2CCCC23CCN(c2cc(C)nc4ccccc42)CC3)cnn1C ZINC000072420320 136169763 /nfs/dbraw/zinc/16/97/63/136169763.db2.gz OWVONSRQGSUOBN-UHFFFAOYSA-N 1 3 389.547 4.220 50 0 GIAAHO Cc1c(C[N@H+]2CCCC23CCN(c2cc(C)nc4ccccc42)CC3)cnn1C ZINC000072420320 136169764 /nfs/dbraw/zinc/16/97/64/136169764.db2.gz OWVONSRQGSUOBN-UHFFFAOYSA-N 1 3 389.547 4.220 50 0 GIAAHO CN1CCC(Oc2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000067612572 222152296 /nfs/dbraw/zinc/15/22/96/222152296.db2.gz HCSPBHBUKMSKPL-UHFFFAOYSA-N 1 3 393.531 4.008 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cc(C)ccc3-n3cccn3)CC2)o1 ZINC000012477495 570674346 /nfs/dbraw/zinc/67/43/46/570674346.db2.gz TVPZSXJKYYMZDQ-UHFFFAOYSA-N 1 3 392.547 4.426 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cc(C)ccc3-n3cccn3)CC2)o1 ZINC000012477495 570674349 /nfs/dbraw/zinc/67/43/49/570674349.db2.gz TVPZSXJKYYMZDQ-UHFFFAOYSA-N 1 3 392.547 4.426 50 0 GIAAHO Fc1ccccc1CN1CCC(C[N@@H+](Cc2cccnc2)C[C@@H]2CCCO2)CC1 ZINC000011937914 818130119 /nfs/dbraw/zinc/13/01/19/818130119.db2.gz RGGAXXZMVUXABJ-QHCPKHFHSA-N 1 3 397.538 4.114 50 0 GIAAHO Fc1ccccc1CN1CCC(C[N@H+](Cc2cccnc2)C[C@@H]2CCCO2)CC1 ZINC000011937914 818130122 /nfs/dbraw/zinc/13/01/22/818130122.db2.gz RGGAXXZMVUXABJ-QHCPKHFHSA-N 1 3 397.538 4.114 50 0 GIAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2ccoc2)C[C@@H]2CCCO2)CC1 ZINC000012457510 221198316 /nfs/dbraw/zinc/19/83/16/221198316.db2.gz YPZYLZXPBHNETA-DEOSSOPVSA-N 1 3 382.548 4.481 50 0 GIAAHO O=C(CCC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012574202 221208311 /nfs/dbraw/zinc/20/83/11/221208311.db2.gz GGHMTSCKQCCNKS-DEOSSOPVSA-N 1 3 397.607 4.060 50 0 GIAAHO COCC[N@H+](CCc1ccccc1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000015076692 221330633 /nfs/dbraw/zinc/33/06/33/221330633.db2.gz DJTUYQGHBQFPFG-HSZRJFAPSA-N 1 3 392.587 4.057 50 0 GIAAHO COCC[N@@H+](CCc1ccccc1)C[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000015076692 221330635 /nfs/dbraw/zinc/33/06/35/221330635.db2.gz DJTUYQGHBQFPFG-HSZRJFAPSA-N 1 3 392.587 4.057 50 0 GIAAHO Cc1cc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)c2ccccc2n1 ZINC000095496770 136179788 /nfs/dbraw/zinc/17/97/88/136179788.db2.gz PFVLLNGNFTYGHT-IBGZPJMESA-N 1 3 377.536 4.075 50 0 GIAAHO CCn1c2ccccc2c2cc(CN3CCC([NH+]4CCN(C)CC4)CC3)ccc21 ZINC000019889851 570228157 /nfs/dbraw/zinc/22/81/57/570228157.db2.gz USPYPBVCAZWERX-UHFFFAOYSA-N 1 3 390.575 4.026 50 0 GIAAHO CCOC(=O)/C=C/c1ccc([C@H]2CCC[N@@H+]2CCc2ccc3c(c2)CNC3)cc1 ZINC000097447449 570244380 /nfs/dbraw/zinc/24/43/80/570244380.db2.gz CFOIYFNSIAUVFH-ZXXUSRDYSA-N 1 3 390.527 4.246 50 0 GIAAHO CCOC(=O)/C=C/c1ccc([C@H]2CCC[N@H+]2CCc2ccc3c(c2)CNC3)cc1 ZINC000097447449 570244385 /nfs/dbraw/zinc/24/43/85/570244385.db2.gz CFOIYFNSIAUVFH-ZXXUSRDYSA-N 1 3 390.527 4.246 50 0 GIAAHO c1csc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000020351545 818619058 /nfs/dbraw/zinc/61/90/58/818619058.db2.gz KPUDEEASWJLVHD-FQEVSTJZSA-N 1 3 390.641 4.086 50 0 GIAAHO c1csc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)n1 ZINC000020351545 818619060 /nfs/dbraw/zinc/61/90/60/818619060.db2.gz KPUDEEASWJLVHD-FQEVSTJZSA-N 1 3 390.641 4.086 50 0 GIAAHO COCc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)o1 ZINC000012612552 221214481 /nfs/dbraw/zinc/21/44/81/221214481.db2.gz UXFJPVZJYIKFBQ-OAQYLSRUSA-N 1 3 390.568 4.062 50 0 GIAAHO CCN(Cc1cccc(OC)c1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012725560 221221450 /nfs/dbraw/zinc/22/14/50/221221450.db2.gz ZNPMHSTYZDDRHR-QHCPKHFHSA-N 1 3 396.575 4.480 50 0 GIAAHO CCN(Cc1cccc(OC)c1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012725560 221221453 /nfs/dbraw/zinc/22/14/53/221221453.db2.gz ZNPMHSTYZDDRHR-QHCPKHFHSA-N 1 3 396.575 4.480 50 0 GIAAHO COc1ccc(CCN(Cc2ccc(F)cc2F)CC2CC[NH+](C)CC2)cc1 ZINC000015065903 221329152 /nfs/dbraw/zinc/32/91/52/221329152.db2.gz WEOKZJDBDOSPSF-UHFFFAOYSA-N 1 3 388.502 4.360 50 0 GIAAHO Cc1ccc2c(N3CCC[C@H](c4nccn4CCC[NH+](C)C)C3)ccnc2c1C ZINC000095518924 136180950 /nfs/dbraw/zinc/18/09/50/136180950.db2.gz PSOJKDUUINJCNR-FQEVSTJZSA-N 1 3 391.563 4.384 50 0 GIAAHO CCOc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000057387108 222032186 /nfs/dbraw/zinc/03/21/86/222032186.db2.gz NGMSDJOJOPPORU-UHFFFAOYSA-N 1 3 394.918 4.498 50 0 GIAAHO CC[C@@H](c1ccccn1)[N@H+](C)Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000215871333 570292917 /nfs/dbraw/zinc/29/29/17/570292917.db2.gz WGQZWSJUFVSTPT-DEOSSOPVSA-N 1 3 380.580 4.029 50 0 GIAAHO CC[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000215871333 570292918 /nfs/dbraw/zinc/29/29/18/570292918.db2.gz WGQZWSJUFVSTPT-DEOSSOPVSA-N 1 3 380.580 4.029 50 0 GIAAHO C[NH+](C)CCCNC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000002690147 817398039 /nfs/dbraw/zinc/39/80/39/817398039.db2.gz ZUXCZVPFDKRZKN-INIZCTEOSA-N 1 3 394.346 4.004 50 0 GIAAHO COc1ccccc1-c1csc(C2CC[NH+](CC[C@@H]3CCCN3C)CC2)n1 ZINC000191513017 823694027 /nfs/dbraw/zinc/69/40/27/823694027.db2.gz JQAOFKWBJAWPCH-SFHVURJKSA-N 1 3 385.577 4.482 50 0 GIAAHO CCOc1cc(C[NH2+]CCCN(C)C)cc(Cl)c1OCc1ccccc1F ZINC000008254157 221033338 /nfs/dbraw/zinc/03/33/38/221033338.db2.gz OITWKXIECCDIKN-UHFFFAOYSA-N 1 3 394.918 4.498 50 0 GIAAHO c1coc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000011817352 221128494 /nfs/dbraw/zinc/12/84/94/221128494.db2.gz BCVYGLZFTXYOJY-RUZDIDTESA-N 1 3 394.559 4.140 50 0 GIAAHO CCN(Cc1cnc(SC)nc1)CC1CC[NH+](CCc2ccccc2C)CC1 ZINC000012716748 221220799 /nfs/dbraw/zinc/22/07/99/221220799.db2.gz RMZWJRBVVJUXCU-UHFFFAOYSA-N 1 3 398.620 4.284 50 0 GIAAHO CC1=C(CC[NH+]2CCC(CCC(=O)NCCN(C)C)CC2)C(C)(C)CCC1 ZINC000014964420 221322546 /nfs/dbraw/zinc/32/25/46/221322546.db2.gz BPDOXOLUEWZMIL-UHFFFAOYSA-N 1 3 377.617 4.073 50 0 GIAAHO c1cncc(CN(CCN2CCCCC2)C[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC000020910241 570284057 /nfs/dbraw/zinc/28/40/57/570284057.db2.gz SNRKJHSHNKLCLQ-HSZRJFAPSA-N 1 3 384.612 4.024 50 0 GIAAHO c1cncc(CN(CCN2CCCCC2)C[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC000020910241 570284059 /nfs/dbraw/zinc/28/40/59/570284059.db2.gz SNRKJHSHNKLCLQ-HSZRJFAPSA-N 1 3 384.612 4.024 50 0 GIAAHO c1cc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@@H+](C3CCCC3)C2)ccn1 ZINC000023374926 570358219 /nfs/dbraw/zinc/35/82/19/570358219.db2.gz JQBQASLHBISGQA-QHCPKHFHSA-N 1 3 384.612 4.024 50 0 GIAAHO c1cc(CN(CCN2CCCCC2)C[C@@H]2CCC[N@H+](C3CCCC3)C2)ccn1 ZINC000023374926 570358220 /nfs/dbraw/zinc/35/82/20/570358220.db2.gz JQBQASLHBISGQA-QHCPKHFHSA-N 1 3 384.612 4.024 50 0 GIAAHO CCn1ccnc1CN(CC(C)C)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000011663613 818106717 /nfs/dbraw/zinc/10/67/17/818106717.db2.gz XPWVSGRMIASDCP-UHFFFAOYSA-N 1 3 398.595 4.282 50 0 GIAAHO c1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3Cc4ccccc4C3)CC2)co1 ZINC000011950747 212078560 /nfs/dbraw/zinc/07/85/60/212078560.db2.gz KNAFGVAUXVWJMA-VWLOTQADSA-N 1 3 394.559 4.140 50 0 GIAAHO CCc1ccc(CN(Cc2ccncc2)CC2CC[NH+](CCOC)CC2)cc1 ZINC000012314109 221180274 /nfs/dbraw/zinc/18/02/74/221180274.db2.gz BKPOWLBOYCNWQC-UHFFFAOYSA-N 1 3 381.564 4.005 50 0 GIAAHO Cc1ccccc1C[NH+]1CCC(CN(Cc2ccoc2)C[C@H]2CCCO2)CC1 ZINC000012457512 221198082 /nfs/dbraw/zinc/19/80/82/221198082.db2.gz YPZYLZXPBHNETA-XMMPIXPASA-N 1 3 382.548 4.481 50 0 GIAAHO C[N@H+](C[C@H](O)COc1cccc(CN2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511579 222342904 /nfs/dbraw/zinc/34/29/04/222342904.db2.gz JKLQISNSBUGCTA-QFIPXVFZSA-N 1 3 386.580 4.209 50 0 GIAAHO C[N@@H+](C[C@H](O)COc1cccc(CN2CCCCC23CC3)c1)C1CCCCC1 ZINC000095511579 222342910 /nfs/dbraw/zinc/34/29/10/222342910.db2.gz JKLQISNSBUGCTA-QFIPXVFZSA-N 1 3 386.580 4.209 50 0 GIAAHO CC1(C)CC(NC[C@@H](O)COC(c2ccccc2)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000025329366 570411114 /nfs/dbraw/zinc/41/11/14/570411114.db2.gz BGHWTZLRRYJEDI-JOCHJYFZSA-N 1 3 396.575 4.052 50 0 GIAAHO CC1(C)CC([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC(C)(C)N1 ZINC000025329366 570411115 /nfs/dbraw/zinc/41/11/15/570411115.db2.gz BGHWTZLRRYJEDI-JOCHJYFZSA-N 1 3 396.575 4.052 50 0 GIAAHO c1ccc([C@@H]2C[C@H](c3noc(CCCN4CCCCC4)n3)[C@H]3CCC[N@H+]32)cc1 ZINC000299792682 570896459 /nfs/dbraw/zinc/89/64/59/570896459.db2.gz GCPSIFFORSKOMQ-HBMCJLEFSA-N 1 3 380.536 4.181 50 0 GIAAHO c1ccc([C@@H]2C[C@H](c3noc(CCCN4CCCCC4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299792682 570896461 /nfs/dbraw/zinc/89/64/61/570896461.db2.gz GCPSIFFORSKOMQ-HBMCJLEFSA-N 1 3 380.536 4.181 50 0 GIAAHO CSc1ccc(CN2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)cc1 ZINC000019359605 570979544 /nfs/dbraw/zinc/97/95/44/570979544.db2.gz LXCXFBXXRFAPQQ-UHFFFAOYSA-N 1 3 395.616 4.191 50 0 GIAAHO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3)cc1 ZINC000055053643 822935447 /nfs/dbraw/zinc/93/54/47/822935447.db2.gz YGPXMTOMLLOODW-VWLOTQADSA-N 1 3 391.559 4.442 50 0 GIAAHO CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)c2)C3)cc1 ZINC000055053643 822935451 /nfs/dbraw/zinc/93/54/51/822935451.db2.gz YGPXMTOMLLOODW-VWLOTQADSA-N 1 3 391.559 4.442 50 0 GIAAHO Cc1nc2c(s1)[C@H]([NH+]1CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC1)CCC2 ZINC000225339740 212115211 /nfs/dbraw/zinc/11/52/11/212115211.db2.gz BKPWTQHTQNDHHJ-TWOQFEAHSA-N 1 3 377.598 4.040 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)CC2)o1 ZINC000011817214 221127969 /nfs/dbraw/zinc/12/79/69/221127969.db2.gz WOBAUZKPGYKANT-UHFFFAOYSA-N 1 3 396.510 4.461 50 0 GIAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3c[nH]nc3-c3ccc(F)cc3)CC2)o1 ZINC000011817214 221127973 /nfs/dbraw/zinc/12/79/73/221127973.db2.gz WOBAUZKPGYKANT-UHFFFAOYSA-N 1 3 396.510 4.461 50 0 GIAAHO Clc1cc(CNCc2ccc(C[NH+]3CCCC3)cc2)cc2c1OCCCO2 ZINC000015185451 221333594 /nfs/dbraw/zinc/33/35/94/221333594.db2.gz VKOPTLRQLJMIQY-UHFFFAOYSA-N 1 3 386.923 4.387 50 0 GIAAHO Cc1cc(N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)c2ccccc2n1 ZINC000095496771 136179703 /nfs/dbraw/zinc/17/97/03/136179703.db2.gz PFVLLNGNFTYGHT-LJQANCHMSA-N 1 3 377.536 4.075 50 0 GIAAHO CC(C)n1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000067895047 222165652 /nfs/dbraw/zinc/16/56/52/222165652.db2.gz OYBVDOOPRWBENU-HSZRJFAPSA-N 1 3 388.600 4.100 50 0 GIAAHO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879911 221134728 /nfs/dbraw/zinc/13/47/28/221134728.db2.gz LLZAZGGWTAUFPP-JOCHJYFZSA-N 1 3 382.548 4.090 50 0 GIAAHO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3ccc(OC)cc3)C2)cc1 ZINC000011879911 221134730 /nfs/dbraw/zinc/13/47/30/221134730.db2.gz LLZAZGGWTAUFPP-JOCHJYFZSA-N 1 3 382.548 4.090 50 0 GIAAHO Fc1ccccc1N1CCC(N2CC[C@@]3(C2)CCC[N@H+](CC2CCC2)C3)CC1 ZINC000012315345 221180140 /nfs/dbraw/zinc/18/01/40/221180140.db2.gz BMBGMGWHGDHZBA-DEOSSOPVSA-N 1 3 385.571 4.383 50 0 GIAAHO Fc1ccccc1N1CCC(N2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)CC1 ZINC000012315345 221180143 /nfs/dbraw/zinc/18/01/43/221180143.db2.gz BMBGMGWHGDHZBA-DEOSSOPVSA-N 1 3 385.571 4.383 50 0 GIAAHO Fc1ccccc1N1CCC([N@@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3)CC1 ZINC000012315345 221180146 /nfs/dbraw/zinc/18/01/46/221180146.db2.gz BMBGMGWHGDHZBA-DEOSSOPVSA-N 1 3 385.571 4.383 50 0 GIAAHO Fc1ccccc1N1CCC([N@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3)CC1 ZINC000012315345 221180149 /nfs/dbraw/zinc/18/01/49/221180149.db2.gz BMBGMGWHGDHZBA-DEOSSOPVSA-N 1 3 385.571 4.383 50 0 GIAAHO Cc1ccc2c(N3CCC[C@@H](c4nccn4CCC[NH+](C)C)C3)ccnc2c1C ZINC000095518925 136181030 /nfs/dbraw/zinc/18/10/30/136181030.db2.gz PSOJKDUUINJCNR-HXUWFJFHSA-N 1 3 391.563 4.384 50 0 GIAAHO c1ccc([C@H]2C[N@@H+](C3CC3)CC3(CCN(CCc4ccccn4)CC3)C2)cc1 ZINC000095388212 571071251 /nfs/dbraw/zinc/07/12/51/571071251.db2.gz BEPQNURMHGLHJM-JOCHJYFZSA-N 1 3 375.560 4.358 50 0 GIAAHO c1ccc([C@H]2C[N@H+](C3CC3)CC3(CCN(CCc4ccccn4)CC3)C2)cc1 ZINC000095388212 571071253 /nfs/dbraw/zinc/07/12/53/571071253.db2.gz BEPQNURMHGLHJM-JOCHJYFZSA-N 1 3 375.560 4.358 50 0 GIAAHO