smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(COc2ccc3ccccc3c2C[NH2+]CCCN(C)C)cc1 ZINC000020874210 570926220 /nfs/dbraw/zinc/92/62/20/570926220.db2.gz ZRXZLMQWGPUYMW-UHFFFAOYSA-N 1 3 362.517 4.769 50 0 FJAAHO CCN(CC)CCC[NH2+]CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005347812 204204785 /nfs/dbraw/zinc/20/47/85/204204785.db2.gz UICZBDAMKPGYLB-FGZHOGPDSA-N 1 3 360.586 4.687 50 0 FJAAHO CC[NH+](CC)CCCNCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005347812 204204788 /nfs/dbraw/zinc/20/47/88/204204788.db2.gz UICZBDAMKPGYLB-FGZHOGPDSA-N 1 3 360.586 4.687 50 0 FJAAHO c1sc2ccccc2c1C[NH2+]CCC1CCN(c2ccncc2)CC1 ZINC000095462170 132211242 /nfs/dbraw/zinc/21/12/42/132211242.db2.gz ZJUUBNUXOIHUHD-UHFFFAOYSA-N 1 3 351.519 4.693 50 0 FJAAHO COc1ccccc1CN1CCC(C[N@@H+](Cc2ccco2)CC(C)C)CC1 ZINC000012431252 570744376 /nfs/dbraw/zinc/74/43/76/570744376.db2.gz JWXDOQUQARXBEQ-UHFFFAOYSA-N 1 3 370.537 4.658 50 0 FJAAHO COc1ccccc1CN1CCC(C[N@H+](Cc2ccco2)CC(C)C)CC1 ZINC000012431252 570744377 /nfs/dbraw/zinc/74/43/77/570744377.db2.gz JWXDOQUQARXBEQ-UHFFFAOYSA-N 1 3 370.537 4.658 50 0 FJAAHO CC[N@@H+]1CCC[C@@H]1CNCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248162244 571128247 /nfs/dbraw/zinc/12/82/47/571128247.db2.gz PMHZGLPRVJLXRI-JOCHJYFZSA-N 1 3 361.533 4.572 50 0 FJAAHO CC[N@H+]1CCC[C@@H]1CNCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248162244 571128249 /nfs/dbraw/zinc/12/82/49/571128249.db2.gz PMHZGLPRVJLXRI-JOCHJYFZSA-N 1 3 361.533 4.572 50 0 FJAAHO CC[N@@H+]1CCC[C@H]1CNCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248162248 571128381 /nfs/dbraw/zinc/12/83/81/571128381.db2.gz PMHZGLPRVJLXRI-QFIPXVFZSA-N 1 3 361.533 4.572 50 0 FJAAHO CC[N@H+]1CCC[C@H]1CNCc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248162248 571128384 /nfs/dbraw/zinc/12/83/84/571128384.db2.gz PMHZGLPRVJLXRI-QFIPXVFZSA-N 1 3 361.533 4.572 50 0 FJAAHO CCN(CC)CCC[NH2+]CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005347810 204204514 /nfs/dbraw/zinc/20/45/14/204204514.db2.gz UICZBDAMKPGYLB-YADHBBJMSA-N 1 3 360.586 4.687 50 0 FJAAHO CC[NH+](CC)CCCNCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000005347810 204204519 /nfs/dbraw/zinc/20/45/19/204204519.db2.gz UICZBDAMKPGYLB-YADHBBJMSA-N 1 3 360.586 4.687 50 0 FJAAHO CN(C)CCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000028428187 571032582 /nfs/dbraw/zinc/03/25/82/571032582.db2.gz NLPFBJZMXPGJDG-UHFFFAOYSA-N 1 3 367.320 4.614 50 0 FJAAHO CCN(CC)CCC[NH2+]Cc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247913104 571126159 /nfs/dbraw/zinc/12/61/59/571126159.db2.gz LVTPDPKPRGEMDK-UHFFFAOYSA-N 1 3 363.549 4.820 50 0 FJAAHO CCN(CC)CCC[NH2+]Cc1cn(Cc2ccccc2C)c2ccccc12 ZINC000248155086 571128320 /nfs/dbraw/zinc/12/83/20/571128320.db2.gz LOASHJONTZHXLE-UHFFFAOYSA-N 1 3 363.549 4.820 50 0 FJAAHO CN(Cc1cc2ccccc2s1)Cc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000299790976 571200813 /nfs/dbraw/zinc/20/08/13/571200813.db2.gz CDYCKVSWPKAGDX-UHFFFAOYSA-N 1 3 366.530 4.664 50 0 FJAAHO CN(Cc1cccc(OC2CC[NH2+]CC2)c1)Cc1cccc2ccccc21 ZINC000299789168 210031477 /nfs/dbraw/zinc/03/14/77/210031477.db2.gz SCNBMAUNLVQAGL-UHFFFAOYSA-N 1 3 360.501 4.603 50 0 FJAAHO CC[N@@H+](Cc1ccsc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000020455932 521424672 /nfs/dbraw/zinc/42/46/72/521424672.db2.gz GKDRDQFBAIXGIS-HXUWFJFHSA-N 1 3 372.578 4.533 50 0 FJAAHO CC[N@H+](Cc1ccsc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000020455932 521424684 /nfs/dbraw/zinc/42/46/84/521424684.db2.gz GKDRDQFBAIXGIS-HXUWFJFHSA-N 1 3 372.578 4.533 50 0 FJAAHO c1sc(C[N@H+]2CCCC[C@H]2CCc2ccccn2)cc1CN1CCCC1 ZINC000216412605 568122395 /nfs/dbraw/zinc/12/23/95/568122395.db2.gz UTCIPNNLJABWOZ-NRFANRHFSA-N 1 3 369.578 4.726 50 0 FJAAHO c1sc(C[N@@H+]2CCCC[C@H]2CCc2ccccn2)cc1CN1CCCC1 ZINC000216412605 568122396 /nfs/dbraw/zinc/12/23/96/568122396.db2.gz UTCIPNNLJABWOZ-NRFANRHFSA-N 1 3 369.578 4.726 50 0 FJAAHO CCN(CC)CCC[NH2+]CC[C@@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000005347780 570649653 /nfs/dbraw/zinc/64/96/53/570649653.db2.gz WIXKOACSCLQHFO-PKTZIBPZSA-N 1 3 374.613 4.995 50 0 FJAAHO Cc1ccc(C[N@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)s1 ZINC000011878676 570710649 /nfs/dbraw/zinc/71/06/49/570710649.db2.gz WWPYKJRLCGXRSZ-UHFFFAOYSA-N 1 3 360.542 4.582 50 0 FJAAHO Cc1ccc(C[N@@H+](C)CC2CCN(CCc3cccc(F)c3)CC2)s1 ZINC000011878676 570710653 /nfs/dbraw/zinc/71/06/53/570710653.db2.gz WWPYKJRLCGXRSZ-UHFFFAOYSA-N 1 3 360.542 4.582 50 0 FJAAHO C[N@@H+](Cc1cccs1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012466213 570748298 /nfs/dbraw/zinc/74/82/98/570748298.db2.gz SEZJURVFYAGFPC-SFHVURJKSA-N 1 3 362.970 4.788 50 0 FJAAHO C[N@H+](Cc1cccs1)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012466213 570748301 /nfs/dbraw/zinc/74/83/01/570748301.db2.gz SEZJURVFYAGFPC-SFHVURJKSA-N 1 3 362.970 4.788 50 0 FJAAHO CCN(CC)CCC[NH2+]Cc1cn(Cc2ccccc2F)c2ccccc12 ZINC000248247692 571128819 /nfs/dbraw/zinc/12/88/19/571128819.db2.gz KJWIRDNXXQQZHF-UHFFFAOYSA-N 1 3 367.512 4.650 50 0 FJAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc(Cl)s3)CC2)o1 ZINC000012709900 570757946 /nfs/dbraw/zinc/75/79/46/570757946.db2.gz RCUAVRWAUSOUBZ-UHFFFAOYSA-N 1 3 352.931 4.647 50 0 FJAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc(Cl)s3)CC2)o1 ZINC000012709900 570757944 /nfs/dbraw/zinc/75/79/44/570757944.db2.gz RCUAVRWAUSOUBZ-UHFFFAOYSA-N 1 3 352.931 4.647 50 0 FJAAHO COc1ccc([C@H](CNc2cc(C)nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000089583109 571212644 /nfs/dbraw/zinc/21/26/44/571212644.db2.gz ALPHARMACDSZBA-QHCPKHFHSA-N 1 3 361.489 4.801 50 0 FJAAHO COc1ccc([C@@H](CNc2cc(C)nc3ccccc32)[NH+]2CCCC2)cc1 ZINC000089583113 571212732 /nfs/dbraw/zinc/21/27/32/571212732.db2.gz ALPHARMACDSZBA-HSZRJFAPSA-N 1 3 361.489 4.801 50 0 FJAAHO c1sc(C[N@H+]2CCCC[C@@H]2CCc2ccccn2)cc1CN1CCCC1 ZINC000216412647 206359423 /nfs/dbraw/zinc/35/94/23/206359423.db2.gz UTCIPNNLJABWOZ-OAQYLSRUSA-N 1 3 369.578 4.726 50 0 FJAAHO c1sc(C[N@@H+]2CCCC[C@@H]2CCc2ccccn2)cc1CN1CCCC1 ZINC000216412647 206359428 /nfs/dbraw/zinc/35/94/28/206359428.db2.gz UTCIPNNLJABWOZ-OAQYLSRUSA-N 1 3 369.578 4.726 50 0 FJAAHO CN(C)CCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008373819 570680693 /nfs/dbraw/zinc/68/06/93/570680693.db2.gz XLHRQXRKGPITCX-UHFFFAOYSA-N 1 3 366.480 4.599 50 0 FJAAHO Cc1cccc(COc2ccc3ccccc3c2C[NH2+]CCCN(C)C)c1 ZINC000040720088 205077677 /nfs/dbraw/zinc/07/76/77/205077677.db2.gz WRSGXFGDMDEKNJ-UHFFFAOYSA-N 1 3 362.517 4.769 50 0 FJAAHO COc1ccc2cc(CNCc3ccccc3C[NH+]3CCCC3)ccc2c1 ZINC000048342002 221009347 /nfs/dbraw/zinc/00/93/47/221009347.db2.gz CGAAIBFVNIJDNL-UHFFFAOYSA-N 1 3 360.501 4.734 50 0 FJAAHO CC[N@@H+]1CCC[C@H]1CNCc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247911250 571126337 /nfs/dbraw/zinc/12/63/37/571126337.db2.gz LHNSINMPYWBXGP-QFIPXVFZSA-N 1 3 361.533 4.572 50 0 FJAAHO CC[N@H+]1CCC[C@H]1CNCc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247911250 571126340 /nfs/dbraw/zinc/12/63/40/571126340.db2.gz LHNSINMPYWBXGP-QFIPXVFZSA-N 1 3 361.533 4.572 50 0 FJAAHO Cc1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)oc1C ZINC000012763922 220026877 /nfs/dbraw/zinc/02/68/77/220026877.db2.gz JEVXKMNVAIWXRQ-JOCHJYFZSA-N 1 3 374.569 4.532 50 0 FJAAHO CN(Cc1ccc(OC[C@H]2CCC[NH2+]C2)cc1)Cc1cccc2ccccc21 ZINC000299758882 571192738 /nfs/dbraw/zinc/19/27/38/571192738.db2.gz DYXSQUDLJHJTBB-NRFANRHFSA-N 1 3 374.528 4.850 50 0 FJAAHO CCN(CC)CCC[NH2+]CC[C@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000005347782 207095986 /nfs/dbraw/zinc/09/59/86/207095986.db2.gz WIXKOACSCLQHFO-DHIUTWEWSA-N 1 3 374.613 4.995 50 0 FJAAHO CN(C)CCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008373823 207230704 /nfs/dbraw/zinc/23/07/04/207230704.db2.gz IPDWRKLESKUKQT-UHFFFAOYSA-N 1 3 366.480 4.599 50 0 FJAAHO CCN(CC)CCC[NH2+][C@@H](C)C[C@@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000005347067 570649568 /nfs/dbraw/zinc/64/95/68/570649568.db2.gz PNIFHKSWZZWSNA-REWPJTCUSA-N 1 3 360.586 4.614 50 0 FJAAHO CSc1cccc(C[N@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)c1 ZINC000012440586 570745731 /nfs/dbraw/zinc/74/57/31/570745731.db2.gz FNGJCBKOPTZKSP-UHFFFAOYSA-N 1 3 358.551 4.654 50 0 FJAAHO CSc1cccc(C[N@@H+](C)CC2CCN(Cc3ccc(C)o3)CC2)c1 ZINC000012440586 570745732 /nfs/dbraw/zinc/74/57/32/570745732.db2.gz FNGJCBKOPTZKSP-UHFFFAOYSA-N 1 3 358.551 4.654 50 0 FJAAHO CCN(CC)CCC[NH2+]CC[C@@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1 ZINC000005347783 207095214 /nfs/dbraw/zinc/09/52/14/207095214.db2.gz WIXKOACSCLQHFO-GOTSBHOMSA-N 1 3 374.613 4.995 50 0 FJAAHO CCN(CC)CCC[NH2+][C@H](C)C[C@@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000005347069 207095438 /nfs/dbraw/zinc/09/54/38/207095438.db2.gz PNIFHKSWZZWSNA-OFNKIYASSA-N 1 3 360.586 4.614 50 0 FJAAHO CCN(CC)CCC[NH2+]CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000005347813 570649557 /nfs/dbraw/zinc/64/95/57/570649557.db2.gz UICZBDAMKPGYLB-VXKWHMMOSA-N 1 3 360.586 4.687 50 0 FJAAHO CC[NH+](CC)CCCNCC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000005347813 570649558 /nfs/dbraw/zinc/64/95/58/570649558.db2.gz UICZBDAMKPGYLB-VXKWHMMOSA-N 1 3 360.586 4.687 50 0 FJAAHO Cc1ccc(C[N@H+](C)CC2CCN(CCc3ccccc3F)CC2)s1 ZINC000012054547 570715664 /nfs/dbraw/zinc/71/56/64/570715664.db2.gz PUIWOAPUAONLHV-UHFFFAOYSA-N 1 3 360.542 4.582 50 0 FJAAHO Cc1ccc(C[N@@H+](C)CC2CCN(CCc3ccccc3F)CC2)s1 ZINC000012054547 570715667 /nfs/dbraw/zinc/71/56/67/570715667.db2.gz PUIWOAPUAONLHV-UHFFFAOYSA-N 1 3 360.542 4.582 50 0 FJAAHO CC[N@@H+]1CCC[C@H]1CNCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248130566 571127865 /nfs/dbraw/zinc/12/78/65/571127865.db2.gz YHNFYOJPPIWTSD-QFIPXVFZSA-N 1 3 361.533 4.572 50 0 FJAAHO CC[N@H+]1CCC[C@H]1CNCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248130566 571127866 /nfs/dbraw/zinc/12/78/66/571127866.db2.gz YHNFYOJPPIWTSD-QFIPXVFZSA-N 1 3 361.533 4.572 50 0 FJAAHO CCN(CC)CCC[NH2+]CC[C@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1 ZINC000005347785 207095548 /nfs/dbraw/zinc/09/55/48/207095548.db2.gz WIXKOACSCLQHFO-XZOQPEGZSA-N 1 3 374.613 4.995 50 0 FJAAHO CCN(CC)CCC[NH2+][C@H](C)C[C@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000005347065 207095570 /nfs/dbraw/zinc/09/55/70/207095570.db2.gz PNIFHKSWZZWSNA-NFBKMPQASA-N 1 3 360.586 4.614 50 0 FJAAHO C[N@@H+](Cc1cccs1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012466217 570748060 /nfs/dbraw/zinc/74/80/60/570748060.db2.gz SEZJURVFYAGFPC-GOSISDBHSA-N 1 3 362.970 4.788 50 0 FJAAHO C[N@H+](Cc1cccs1)C[C@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000012466217 570748063 /nfs/dbraw/zinc/74/80/63/570748063.db2.gz SEZJURVFYAGFPC-GOSISDBHSA-N 1 3 362.970 4.788 50 0 FJAAHO CC[N@@H+]1CCC[C@@H]1CNCc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247911243 571126138 /nfs/dbraw/zinc/12/61/38/571126138.db2.gz LHNSINMPYWBXGP-JOCHJYFZSA-N 1 3 361.533 4.572 50 0 FJAAHO CC[N@H+]1CCC[C@@H]1CNCc1cn(Cc2cccc(C)c2)c2ccccc12 ZINC000247911243 571126140 /nfs/dbraw/zinc/12/61/40/571126140.db2.gz LHNSINMPYWBXGP-JOCHJYFZSA-N 1 3 361.533 4.572 50 0 FJAAHO CN(Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1)Cc1cccc2ccccc21 ZINC000299758884 571192858 /nfs/dbraw/zinc/19/28/58/571192858.db2.gz DYXSQUDLJHJTBB-OAQYLSRUSA-N 1 3 374.528 4.850 50 0 FJAAHO CCN(CC)CCC[NH2+]CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000005347815 207095952 /nfs/dbraw/zinc/09/59/52/207095952.db2.gz UICZBDAMKPGYLB-FCHUYYIVSA-N 1 3 360.586 4.687 50 0 FJAAHO CC[NH+](CC)CCCNCC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000005347815 207095953 /nfs/dbraw/zinc/09/59/53/207095953.db2.gz UICZBDAMKPGYLB-FCHUYYIVSA-N 1 3 360.586 4.687 50 0 FJAAHO Cc1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)oc1C ZINC000012763917 570760504 /nfs/dbraw/zinc/76/05/04/570760504.db2.gz JEVXKMNVAIWXRQ-QFIPXVFZSA-N 1 3 374.569 4.532 50 0 FJAAHO Cc1c(CNCCC[NH+](C)C)c2ccccc2n1Cc1ccccc1Cl ZINC000020477804 570917507 /nfs/dbraw/zinc/91/75/07/570917507.db2.gz ANHRRSPNOWVWLQ-UHFFFAOYSA-N 1 3 369.940 4.693 50 0 FJAAHO Cc1ccc(CN2CCC(C[N@@H+](C)Cc3cc4ccccc4o3)CC2)o1 ZINC000012467998 207381905 /nfs/dbraw/zinc/38/19/05/207381905.db2.gz OXYZHAXVXGJZIA-UHFFFAOYSA-N 1 3 352.478 4.678 50 0 FJAAHO Cc1ccc(CN2CCC(C[N@H+](C)Cc3cc4ccccc4o3)CC2)o1 ZINC000012467998 207381911 /nfs/dbraw/zinc/38/19/11/207381911.db2.gz OXYZHAXVXGJZIA-UHFFFAOYSA-N 1 3 352.478 4.678 50 0 FJAAHO CC[N@@H+](Cc1ccsc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000020455930 521425862 /nfs/dbraw/zinc/42/58/62/521425862.db2.gz GKDRDQFBAIXGIS-FQEVSTJZSA-N 1 3 372.578 4.533 50 0 FJAAHO CC[N@H+](Cc1ccsc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000020455930 521425866 /nfs/dbraw/zinc/42/58/66/521425866.db2.gz GKDRDQFBAIXGIS-FQEVSTJZSA-N 1 3 372.578 4.533 50 0 FJAAHO Cc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCCN(C)C ZINC000040720101 571092389 /nfs/dbraw/zinc/09/23/89/571092389.db2.gz HPAPUTGPEWJDKN-UHFFFAOYSA-N 1 3 362.517 4.769 50 0 FJAAHO CC[N@@H+]1CCC[C@@H]1CNCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248130562 571127763 /nfs/dbraw/zinc/12/77/63/571127763.db2.gz YHNFYOJPPIWTSD-JOCHJYFZSA-N 1 3 361.533 4.572 50 0 FJAAHO CC[N@H+]1CCC[C@@H]1CNCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248130562 571127767 /nfs/dbraw/zinc/12/77/67/571127767.db2.gz YHNFYOJPPIWTSD-JOCHJYFZSA-N 1 3 361.533 4.572 50 0 FJAAHO CCN(CC)CCC[NH2+]Cc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000248099740 571127830 /nfs/dbraw/zinc/12/78/30/571127830.db2.gz NKOGUVXEZUIQMH-UHFFFAOYSA-N 1 3 363.549 4.820 50 0 FJAAHO Cc1ccc(-c2n[nH]cc2CNCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000015065568 220143768 /nfs/dbraw/zinc/14/37/68/220143768.db2.gz JMDFBVFISFIBIN-UHFFFAOYSA-N 1 3 374.532 4.579 50 0 FJAAHO COc1ccccc1CN1CCC(C[N@@H+](Cc2ccoc2)CC(C)C)CC1 ZINC000012710133 570757887 /nfs/dbraw/zinc/75/78/87/570757887.db2.gz QMDVTUXGDWNDLJ-UHFFFAOYSA-N 1 3 370.537 4.658 50 0 FJAAHO COc1ccccc1CN1CCC(C[N@H+](Cc2ccoc2)CC(C)C)CC1 ZINC000012710133 570757891 /nfs/dbraw/zinc/75/78/91/570757891.db2.gz QMDVTUXGDWNDLJ-UHFFFAOYSA-N 1 3 370.537 4.658 50 0 FJAAHO CCN(CC)CCC[NH2+]Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000248261653 571128767 /nfs/dbraw/zinc/12/87/67/571128767.db2.gz QXEKSIVRXHFCAI-UHFFFAOYSA-N 1 3 367.512 4.650 50 0 FJAAHO CCN(CC)CCC[NH2+][C@@H](C)C[C@]1(c2ccccc2)CCOC(C)(C)C1 ZINC000005347063 207095708 /nfs/dbraw/zinc/09/57/08/207095708.db2.gz PNIFHKSWZZWSNA-NZQKXSOJSA-N 1 3 360.586 4.614 50 0 FJAAHO CC(C)(C)NCC(C[NH2+]C(C)(C)C)OC(c1ccccc1)c1ccccc1 ZINC000005613670 570681374 /nfs/dbraw/zinc/68/13/74/570681374.db2.gz JTFDNLYSWCELHB-UHFFFAOYSA-N 1 3 368.565 4.937 50 0 FJAAHO c1sc(CN2CCC(OCc3ccccc3)CC2)cc1C[NH+]1CCCC1 ZINC000670466104 571358688 /nfs/dbraw/zinc/35/86/88/571358688.db2.gz MQVWJSPRWFJLFU-UHFFFAOYSA-N 1 3 370.562 4.525 50 0 FJAAHO