smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(-c2cncnc2)cc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000019958562 919601423 /nfs/dbraw/zinc/60/14/23/919601423.db2.gz NOFPCRSLFBKETE-QPJJXVBHSA-N 0 3 386.499 3.680 50 10 GHCAHN CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@H](c3ccccc3[O-])C2)cc1 ZINC000065297892 205228360 /nfs/dbraw/zinc/22/83/60/205228360.db2.gz AOEUPBMGAPDZEL-NRFANRHFSA-N 0 3 379.504 3.737 50 10 biogenic GHCAHN Cc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007800 205884348 /nfs/dbraw/zinc/88/43/48/205884348.db2.gz RYKJADPZSGZFHK-QHCPKHFHSA-N 0 3 377.532 3.944 50 10 GHCAHN CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccccc3O)=NN12 ZINC000010214466 221098279 /nfs/dbraw/zinc/09/82/79/221098279.db2.gz CYNQPDVNUARUOJ-LJQANCHMSA-N 0 3 393.487 3.756 50 10 GHCAHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCN(Cc2ccccc2)[C@H](CCO)C1 ZINC000023153320 527564507 /nfs/dbraw/zinc/56/45/07/527564507.db2.gz OLASGLNQQDUOEV-OAQYLSRUSA-N 0 3 376.500 3.614 50 10 GHCAHN [O-]c1ccc2ccccc2c1C[N@H+]1CCN(Cc2ccccc2)[C@H](CCO)C1 ZINC000023153320 527564513 /nfs/dbraw/zinc/56/45/13/527564513.db2.gz OLASGLNQQDUOEV-OAQYLSRUSA-N 0 3 376.500 3.614 50 10 GHCAHN COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 ZINC000016838185 570912617 /nfs/dbraw/zinc/91/26/17/570912617.db2.gz DIVSZZDKIVGKHV-HSZRJFAPSA-N 0 3 393.531 3.645 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)c3ccccc3Cl)N3CCCC3)ccc21 ZINC000008963331 856678605 /nfs/dbraw/zinc/67/86/05/856678605.db2.gz GOYIKTSYNKMNGT-OAQYLSRUSA-N 0 3 383.923 3.899 50 10 GHCAHN COc1ccccc1COC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000003394639 204004558 /nfs/dbraw/zinc/00/45/58/204004558.db2.gz AKZURUOWLYNVIC-FQEVSTJZSA-N 0 3 397.471 3.574 50 10 GHCAHN CN1CCCc2cc([C@@H](CNC(=O)NCc3cccs3)N3CCCC3)ccc21 ZINC000036705362 204324148 /nfs/dbraw/zinc/32/41/48/204324148.db2.gz XQLUEPIXQFMVTR-OAQYLSRUSA-N 0 3 398.576 3.767 50 10 GHCAHN CN1CCCc2cc([C@H](CNC(=O)c3c(F)cccc3F)N3CCCC3)ccc21 ZINC000013008208 536397404 /nfs/dbraw/zinc/39/74/04/536397404.db2.gz PKMFIQVSBLCNTJ-NRFANRHFSA-N 0 3 399.485 3.914 50 10 GHCAHN COc1ccc2ccc([O-])c(C[NH+]3CCN(c4ccccc4OC)CC3)c2c1 ZINC000016076244 570913136 /nfs/dbraw/zinc/91/31/36/570913136.db2.gz ZHGKDQRECKCYGF-UHFFFAOYSA-N 0 3 378.472 3.885 50 10 GHCAHN CN1CCc2cc([C@H](CNC(=O)c3cccc(F)c3)N3CCCCC3)ccc21 ZINC000013007731 859729980 /nfs/dbraw/zinc/72/99/80/859729980.db2.gz VIGNEPMGRLNPNP-QFIPXVFZSA-N 0 3 381.495 3.775 50 10 GHCAHN CCOCCCN1C(=O)CC[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]21 ZINC000011838481 570437444 /nfs/dbraw/zinc/43/74/44/570437444.db2.gz FMRWGYUOTJKQBB-KNQAVFIVSA-N 0 3 396.531 3.785 50 10 GHCAHN CCOCCCN1C(=O)CC[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]21 ZINC000011838481 570437449 /nfs/dbraw/zinc/43/74/49/570437449.db2.gz FMRWGYUOTJKQBB-KNQAVFIVSA-N 0 3 396.531 3.785 50 10 GHCAHN Cc1cc(CNCCOCCO)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000008403079 204275677 /nfs/dbraw/zinc/27/56/77/204275677.db2.gz HZLZKHSOQLLFKZ-UHFFFAOYSA-N 0 3 390.833 3.865 50 10 GHCAHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000020134999 570241930 /nfs/dbraw/zinc/24/19/30/570241930.db2.gz AGSSPYZOABCNFG-OAQYLSRUSA-N 0 3 385.939 3.832 50 10 GHCAHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000020134999 570241935 /nfs/dbraw/zinc/24/19/35/570241935.db2.gz AGSSPYZOABCNFG-OAQYLSRUSA-N 0 3 385.939 3.832 50 10 GHCAHN CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000012571622 570681289 /nfs/dbraw/zinc/68/12/89/570681289.db2.gz FJUGVUWMCSBHEL-QHCPKHFHSA-N 0 3 383.488 3.789 50 10 GHCAHN CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000012571622 570681292 /nfs/dbraw/zinc/68/12/92/570681292.db2.gz FJUGVUWMCSBHEL-QHCPKHFHSA-N 0 3 383.488 3.789 50 10 GHCAHN CN1CCc2cc([C@H](CNC(=O)c3ccc(F)c(F)c3)N3CCCC3)ccc21 ZINC000008963352 856678579 /nfs/dbraw/zinc/67/85/79/856678579.db2.gz BGECZPXOTFDARA-NRFANRHFSA-N 0 3 385.458 3.524 50 10 GHCAHN CN1CCc2cc([C@H](CNC(=O)c3ccccc3F)N3CCCCC3)ccc21 ZINC000013007710 859729869 /nfs/dbraw/zinc/72/98/69/859729869.db2.gz WANJVHDOKOQNHW-QFIPXVFZSA-N 0 3 381.495 3.775 50 10 GHCAHN CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000005097941 204110698 /nfs/dbraw/zinc/11/06/98/204110698.db2.gz OWNABPWCGLBUIP-NRFANRHFSA-N 0 3 385.939 3.902 50 10 GHCAHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000023358030 570356108 /nfs/dbraw/zinc/35/61/08/570356108.db2.gz HPAHXJQSTSDATJ-NRFANRHFSA-N 0 3 394.490 3.753 50 10 GHCAHN [O-]c1ccc2ccccc2c1C[N@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000023358030 570356110 /nfs/dbraw/zinc/35/61/10/570356110.db2.gz HPAHXJQSTSDATJ-NRFANRHFSA-N 0 3 394.490 3.753 50 10 GHCAHN CCOc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008963227 856678066 /nfs/dbraw/zinc/67/80/66/856678066.db2.gz HEYLJOHIYCXWLO-QFIPXVFZSA-N 0 3 393.531 3.645 50 10 GHCAHN Cc1cccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007778 859730123 /nfs/dbraw/zinc/73/01/23/859730123.db2.gz BLXWIYCFXARJDP-DEOSSOPVSA-N 0 3 391.559 3.873 50 10 GHCAHN O=C(/C=C/c1ccc(N2CCCCCC2)cc1)N1CCN(c2ccncc2)CC1 ZINC000008122672 204261941 /nfs/dbraw/zinc/26/19/41/204261941.db2.gz FMNQQULDQHTAFT-JXMROGBWSA-N 0 3 390.531 3.824 50 10 GHCAHN COc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 ZINC000011027653 204341947 /nfs/dbraw/zinc/34/19/47/204341947.db2.gz YWBXHRVJRLBQLN-JOCHJYFZSA-N 0 3 393.531 3.645 50 10 GHCAHN COc1ccc(CC[N@@H+](Cc2c([O-])cccc2OC)CC2CCN(C)CC2)cc1 ZINC000012442107 570664842 /nfs/dbraw/zinc/66/48/42/570664842.db2.gz XGECCFBJXOTJKX-UHFFFAOYSA-N 0 3 398.547 3.796 50 10 GHCAHN COc1ccc(CC[N@H+](Cc2c([O-])cccc2OC)CC2CCN(C)CC2)cc1 ZINC000012442107 570664844 /nfs/dbraw/zinc/66/48/44/570664844.db2.gz XGECCFBJXOTJKX-UHFFFAOYSA-N 0 3 398.547 3.796 50 10 GHCAHN O=C1CC[N@H+](Cc2ccccc2[O-])CCN1Cc1ccccc1C(F)(F)F ZINC000019795159 839850597 /nfs/dbraw/zinc/85/05/97/839850597.db2.gz HBKDMGLGJOVZND-UHFFFAOYSA-N 0 3 378.394 3.646 50 10 GHCAHN O=C1CC[N@@H+](Cc2ccccc2[O-])CCN1Cc1ccccc1C(F)(F)F ZINC000019795159 839850604 /nfs/dbraw/zinc/85/06/04/839850604.db2.gz HBKDMGLGJOVZND-UHFFFAOYSA-N 0 3 378.394 3.646 50 10 GHCAHN CCOCc1cc(CN[C@H]2CCCc3c2cnn3-c2ccccn2)ccc1OC ZINC000012304440 204392931 /nfs/dbraw/zinc/39/29/31/204392931.db2.gz LUAPCLLUHBRDPM-FQEVSTJZSA-N 0 3 392.503 3.980 50 10 GHCAHN CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc3ccccc32)N(C)C)cc1 ZINC000005097798 205759737 /nfs/dbraw/zinc/75/97/37/205759737.db2.gz QVKPANHKYGHYNJ-HSZRJFAPSA-N 0 3 375.516 3.867 50 10 GHCAHN COc1ccc(N2CCN([C@H]3CCCN(Cc4ccc(C)s4)C3)CC2)cc1 ZINC000020166476 570245634 /nfs/dbraw/zinc/24/56/34/570245634.db2.gz QCKRXYZFRYXNEK-FQEVSTJZSA-N 0 3 385.577 3.852 50 10 GHCAHN COC(=O)c1cc2ccccc2c(C[NH+]2CCN(c3ccccc3)CC2)c1[O-] ZINC000025105091 570406161 /nfs/dbraw/zinc/40/61/61/570406161.db2.gz UNGCTHANPFZQOH-UHFFFAOYSA-N 0 3 376.456 3.654 50 10 GHCAHN CCOc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 ZINC000008963338 856678410 /nfs/dbraw/zinc/67/84/10/856678410.db2.gz MJTLFZRECXEZBN-HSZRJFAPSA-N 0 3 393.531 3.645 50 10 GHCAHN O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000044911057 205090341 /nfs/dbraw/zinc/09/03/41/205090341.db2.gz BEKSFIPQSMZEPP-UHFFFAOYSA-N 0 3 377.532 3.815 50 10 GHCAHN CN1CCc2cc([C@H](CNC(=O)c3ccccc3Cl)N3CCCC3)ccc21 ZINC000008963332 856678432 /nfs/dbraw/zinc/67/84/32/856678432.db2.gz GOYIKTSYNKMNGT-NRFANRHFSA-N 0 3 383.923 3.899 50 10 GHCAHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000019836274 570223555 /nfs/dbraw/zinc/22/35/55/570223555.db2.gz OLASGLNQQDUOEV-NRFANRHFSA-N 0 3 376.500 3.614 50 10 GHCAHN [O-]c1ccc2ccccc2c1C[N@H+]1CCN(Cc2ccccc2)[C@@H](CCO)C1 ZINC000019836274 570223558 /nfs/dbraw/zinc/22/35/58/570223558.db2.gz OLASGLNQQDUOEV-NRFANRHFSA-N 0 3 376.500 3.614 50 10 GHCAHN Oc1ccccc1CN1CCN(c2nc(-c3ccccc3)nc3c2CCC3)CC1 ZINC000020542977 570267266 /nfs/dbraw/zinc/26/72/66/570267266.db2.gz BBTIWIMVYGAAID-UHFFFAOYSA-N 0 3 386.499 3.660 50 10 GHCAHN C[NH+]1CCC2(CC1)N=C(c1cc(Cl)ccc1[O-])C[C@H](c1ccccc1O)N2 ZINC000015830180 570268996 /nfs/dbraw/zinc/26/89/96/570268996.db2.gz NREFVWWKFAFPNW-QGZVFWFLSA-N 0 3 385.895 3.697 50 10 biogenic GHCAHN COCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000034682654 570300700 /nfs/dbraw/zinc/30/07/00/570300700.db2.gz QFZMUSRGWGTIQY-UHFFFAOYSA-N 0 3 399.510 3.536 50 10 GHCAHN CC(C)NC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1Cc1ccccc1O ZINC000014973248 570868056 /nfs/dbraw/zinc/86/80/56/570868056.db2.gz UDCQCGXRKXNCJQ-MOPGFXCFSA-N 0 3 388.508 3.791 50 10 GHCAHN COc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 ZINC000013007748 859730091 /nfs/dbraw/zinc/73/00/91/859730091.db2.gz NBCWDSVAHGXZNW-JOCHJYFZSA-N 0 3 393.531 3.645 50 10 GHCAHN COc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 ZINC000013007750 859730187 /nfs/dbraw/zinc/73/01/87/859730187.db2.gz NBCWDSVAHGXZNW-QFIPXVFZSA-N 0 3 393.531 3.645 50 10 GHCAHN CN(C)c1ccc([C@H](CNC(=O)c2cccc(Br)c2)N(C)C)cc1 ZINC000005097765 204111530 /nfs/dbraw/zinc/11/15/30/204111530.db2.gz IAAAPEWRPTXVBH-SFHVURJKSA-N 0 3 390.325 3.548 50 10 GHCAHN CN(C)CCNc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000004961916 204097080 /nfs/dbraw/zinc/09/70/80/204097080.db2.gz HLZNXZPTIFGKRE-UHFFFAOYSA-N 0 3 376.460 3.613 50 10 GHCAHN COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007760 205884758 /nfs/dbraw/zinc/88/47/58/205884758.db2.gz TWYSSHXLZIFHOG-HSZRJFAPSA-N 0 3 393.531 3.645 50 10 GHCAHN CCOc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)c3ccccc3)CC2)c1[O-] ZINC000001179501 570790857 /nfs/dbraw/zinc/79/08/57/570790857.db2.gz UTPUOHDPKJRNIU-QGZVFWFLSA-N 0 3 382.504 3.880 50 10 GHCAHN CCOc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)c3ccccc3)CC2)c1[O-] ZINC000001179500 570790929 /nfs/dbraw/zinc/79/09/29/570790929.db2.gz UTPUOHDPKJRNIU-KRWDZBQOSA-N 0 3 382.504 3.880 50 10 GHCAHN CCOc1ccc2nc(N3CCC[N@H+](Cc4ccccc4[O-])CC3)nc(C)c2c1 ZINC000011784077 204352301 /nfs/dbraw/zinc/35/23/01/204352301.db2.gz AMVOWBRQAWYXEF-UHFFFAOYSA-N 0 3 392.503 3.755 50 10 GHCAHN CCOc1ccc2nc(N3CCC[N@@H+](Cc4ccccc4[O-])CC3)nc(C)c2c1 ZINC000011784077 204352304 /nfs/dbraw/zinc/35/23/04/204352304.db2.gz AMVOWBRQAWYXEF-UHFFFAOYSA-N 0 3 392.503 3.755 50 10 GHCAHN CCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccccc3O)=NN12 ZINC000010214462 221098945 /nfs/dbraw/zinc/09/89/45/221098945.db2.gz CYNQPDVNUARUOJ-IBGZPJMESA-N 0 3 393.487 3.756 50 10 GHCAHN COc1cccc(-c2ccc([O-])c(C[NH+]3CCN(c4ccccc4F)CC3)c2)n1 ZINC000014991746 570870387 /nfs/dbraw/zinc/87/03/87/570870387.db2.gz OIOQNRBQDPWJRR-UHFFFAOYSA-N 0 3 393.462 3.924 50 10 GHCAHN CCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(O)cc3)=NN12 ZINC000010214582 221098413 /nfs/dbraw/zinc/09/84/13/221098413.db2.gz AZTHIOAKVRRTLW-FQEVSTJZSA-N 0 3 393.487 3.756 50 10 GHCAHN Cc1cc(/C=C2\NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccncc1 ZINC000005926751 570804561 /nfs/dbraw/zinc/80/45/61/570804561.db2.gz OFYJSXDSCKNVEW-BKUYFWCQSA-N 0 3 386.455 3.890 50 10 GHCAHN CCOc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1 ZINC000008963337 856678277 /nfs/dbraw/zinc/67/82/77/856678277.db2.gz MJTLFZRECXEZBN-QHCPKHFHSA-N 0 3 393.531 3.645 50 10 GHCAHN CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)c(OC)c3)=NN12 ZINC000005093400 204111068 /nfs/dbraw/zinc/11/10/68/204111068.db2.gz CYILUWOXRHDJTG-IBGZPJMESA-N 0 3 393.487 3.756 50 10 GHCAHN COc1cccc(COC[C@@H](O)CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000006082956 204164320 /nfs/dbraw/zinc/16/43/20/204164320.db2.gz HZWXLMBCCIPKQM-FQEVSTJZSA-N 0 3 397.471 3.574 50 10 GHCAHN COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3CC3CCCCC3)C2)c([O-])c1 ZINC000012327807 204398532 /nfs/dbraw/zinc/39/85/32/204398532.db2.gz JCXIXERXINSBSD-NQIIRXRSSA-N 0 3 386.536 3.794 50 10 GHCAHN COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3CC3CCCCC3)C2)c([O-])c1 ZINC000012327807 204398533 /nfs/dbraw/zinc/39/85/33/204398533.db2.gz JCXIXERXINSBSD-NQIIRXRSSA-N 0 3 386.536 3.794 50 10 GHCAHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000020135003 204702627 /nfs/dbraw/zinc/70/26/27/204702627.db2.gz AGSSPYZOABCNFG-NRFANRHFSA-N 0 3 385.939 3.832 50 10 GHCAHN [O-]c1ccccc1C[N@H+]1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000020135003 204702633 /nfs/dbraw/zinc/70/26/33/204702633.db2.gz AGSSPYZOABCNFG-NRFANRHFSA-N 0 3 385.939 3.832 50 10 GHCAHN CC[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000058756684 205178614 /nfs/dbraw/zinc/17/86/14/205178614.db2.gz YFMBXUPZVDQXSW-QFIPXVFZSA-N 0 3 394.563 3.731 50 10 GHCAHN COc1ccc(N2CCCN(C[C@H](O)COc3c(C)ccc(C)c3C)CC2)cc1 ZINC000084147786 205393030 /nfs/dbraw/zinc/39/30/30/205393030.db2.gz TVVMLLPSGZRSOX-QFIPXVFZSA-N 0 3 398.547 3.572 50 10 GHCAHN CN1CCCc2cc([C@H](CNC(=O)c3ccc(F)cc3)N3CCCC3)ccc21 ZINC000013008223 536397285 /nfs/dbraw/zinc/39/72/85/536397285.db2.gz KGDWGEDREIRPOF-QFIPXVFZSA-N 0 3 381.495 3.775 50 10 GHCAHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019634461 571022112 /nfs/dbraw/zinc/02/21/12/571022112.db2.gz BYYCTGKXNMJGFF-UHFFFAOYSA-N 0 3 376.456 3.592 50 10 GHCAHN Cc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 ZINC000013007669 859730059 /nfs/dbraw/zinc/73/00/59/859730059.db2.gz CZXMEJLJCXUJAQ-HSZRJFAPSA-N 0 3 377.532 3.944 50 10 GHCAHN CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000005098031 570417107 /nfs/dbraw/zinc/41/71/07/570417107.db2.gz DBOIRFOIHXNNHH-JOCHJYFZSA-N 0 3 381.520 3.718 50 10 GHCAHN COc1ccc(C(=O)[C@H]2CCCN(Cc3c(O)cccc3OC)C2)c(OC)c1 ZINC000012074044 570604570 /nfs/dbraw/zinc/60/45/70/570604570.db2.gz JQVWVPVJPHHMSD-HNNXBMFYSA-N 0 3 385.460 3.513 50 10 GHCAHN COc1ccc(N2CCCN(C[C@@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000229507005 222709101 /nfs/dbraw/zinc/70/91/01/222709101.db2.gz NIHCTIPUXCVWPZ-HXUWFJFHSA-N 0 3 394.437 3.960 50 10 GHCAHN Cc1cccc(CC(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 ZINC000016838240 207079228 /nfs/dbraw/zinc/07/92/28/207079228.db2.gz VVGVKVMTDSTPQD-XMMPIXPASA-N 0 3 391.559 3.873 50 10 GHCAHN COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccc(C)s4)C3)CC2)cc1 ZINC000020166474 207181337 /nfs/dbraw/zinc/18/13/37/207181337.db2.gz QCKRXYZFRYXNEK-HXUWFJFHSA-N 0 3 385.577 3.852 50 10 GHCAHN Cc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 ZINC000013008201 136200693 /nfs/dbraw/zinc/20/06/93/136200693.db2.gz OOQIGYNPYJSIGA-HSZRJFAPSA-N 0 3 377.532 3.944 50 10 GHCAHN O=C(Cc1ccccc1)Nc1ccnn1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000014962309 207034631 /nfs/dbraw/zinc/03/46/31/207034631.db2.gz MTUTUMOOBBIXFD-UHFFFAOYSA-N 0 3 390.487 3.607 50 10 GHCAHN CCOc1cccc(CN2CCC[C@H](C(=O)c3ccc(OC)cc3OC)C2)c1O ZINC000015068693 207043191 /nfs/dbraw/zinc/04/31/91/207043191.db2.gz DFVWPNPSPHGVAM-INIZCTEOSA-N 0 3 399.487 3.903 50 10 GHCAHN Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccncc1 ZINC000016267077 207074833 /nfs/dbraw/zinc/07/48/33/207074833.db2.gz OSIOXDQPLDGMAV-UDWIEESQSA-N 0 3 390.418 3.721 50 10 GHCAHN Oc1cc2c(cc1CN1CCN(Cc3cccc4ccccc43)CC1)OCO2 ZINC000022786004 207260631 /nfs/dbraw/zinc/26/06/31/207260631.db2.gz QVBWBLIGPVXIAQ-UHFFFAOYSA-N 0 3 376.456 3.592 50 10 GHCAHN CN1CCCc2cc([C@H](CNC(=O)c3ccc(F)c(F)c3)N3CCCC3)ccc21 ZINC000013008251 536397788 /nfs/dbraw/zinc/39/77/88/536397788.db2.gz HCEFOGUTZVATCD-QFIPXVFZSA-N 0 3 399.485 3.914 50 10 GHCAHN CN(C)c1ccc([C@@H](CNC(=O)c2cccc(Br)c2)N(C)C)cc1 ZINC000005097764 570417022 /nfs/dbraw/zinc/41/70/22/570417022.db2.gz IAAAPEWRPTXVBH-GOSISDBHSA-N 0 3 390.325 3.548 50 10 GHCAHN CCOc1cccc(CN2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1O ZINC000012386231 570651264 /nfs/dbraw/zinc/65/12/64/570651264.db2.gz XVBXHORWHMJPDR-KRWDZBQOSA-N 0 3 399.487 3.903 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)CCc3ccccc3)N3CCCCC3)ccc21 ZINC000013007734 859730216 /nfs/dbraw/zinc/73/02/16/859730216.db2.gz NDUQMWFUUHVYRR-XMMPIXPASA-N 0 3 391.559 3.955 50 10 GHCAHN CC1(C)Cc2cc(CNCc3ccc(N4CCC(O)CC4)c(F)c3)ccc2O1 ZINC000105422657 206244522 /nfs/dbraw/zinc/24/45/22/206244522.db2.gz CVZQPGTVUTYTEV-UHFFFAOYSA-N 0 3 384.495 3.790 50 10 GHCAHN COc1ccc(COC[C@@H](O)CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000006082938 570238805 /nfs/dbraw/zinc/23/88/05/570238805.db2.gz UTHQOGRCZCRLBQ-FQEVSTJZSA-N 0 3 397.471 3.574 50 10 GHCAHN CCOCc1cc(CN[C@@H]2CCCc3c2cnn3-c2ccccn2)ccc1OC ZINC000012304439 570638184 /nfs/dbraw/zinc/63/81/84/570638184.db2.gz LUAPCLLUHBRDPM-HXUWFJFHSA-N 0 3 392.503 3.980 50 10 GHCAHN CN1CCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)N3CCCC3)ccc21 ZINC000008963334 856678145 /nfs/dbraw/zinc/67/81/45/856678145.db2.gz XXUWZXZSPUJVGT-NRFANRHFSA-N 0 3 383.923 3.899 50 10 GHCAHN Cc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007798 859730246 /nfs/dbraw/zinc/73/02/46/859730246.db2.gz RYKJADPZSGZFHK-HSZRJFAPSA-N 0 3 377.532 3.944 50 10 GHCAHN CCCCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000005097868 206591007 /nfs/dbraw/zinc/59/10/07/206591007.db2.gz QSQORAKFPTUFHM-JOCHJYFZSA-N 0 3 383.536 3.964 50 10 GHCAHN CCOC(=O)c1c(-c2ccccc2)oc2ccc([O-])c(C[NH+]3CCN(C)CC3)c21 ZINC000019789447 206296509 /nfs/dbraw/zinc/29/65/09/206296509.db2.gz JXOJPBJBHDCLFP-UHFFFAOYSA-N 0 3 394.471 3.730 50 10 GHCAHN COc1ccc(C[N@@H+]2CCCN(c3cc(-c4ccccc4)[nH]n3)CC2)c([O-])c1 ZINC000096398131 208315131 /nfs/dbraw/zinc/31/51/31/208315131.db2.gz PCLFZXRLRVRXOX-UHFFFAOYSA-N 0 3 378.476 3.503 50 10 GHCAHN COc1ccc(C[N@H+]2CCCN(c3cc(-c4ccccc4)[nH]n3)CC2)c([O-])c1 ZINC000096398131 208315135 /nfs/dbraw/zinc/31/51/35/208315135.db2.gz PCLFZXRLRVRXOX-UHFFFAOYSA-N 0 3 378.476 3.503 50 10 GHCAHN Cc1nccn1-c1ccc([C@H](C)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000095459051 136179322 /nfs/dbraw/zinc/17/93/22/136179322.db2.gz WWDJBKVZVTWRLB-IBGZPJMESA-N 0 3 389.547 3.783 50 10 GHCAHN CN1CCCc2cc([C@@H](CNC(=O)c3ccc(F)c(F)c3)N3CCCC3)ccc21 ZINC000013008248 536397507 /nfs/dbraw/zinc/39/75/07/536397507.db2.gz HCEFOGUTZVATCD-JOCHJYFZSA-N 0 3 399.485 3.914 50 10 GHCAHN CN(C)c1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N(C)C)cc1 ZINC000005097769 570416988 /nfs/dbraw/zinc/41/69/88/570416988.db2.gz SWWKHGVQLBBHBT-SFHVURJKSA-N 0 3 390.325 3.548 50 10 GHCAHN CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1OCC ZINC000005097753 571040214 /nfs/dbraw/zinc/04/02/14/571040214.db2.gz LMWPFNPDKFVRSR-FQEVSTJZSA-N 0 3 399.535 3.583 50 10 GHCAHN CN1CCc2cc([C@H](CNC(=O)c3c(F)cccc3F)N3CCCC3)ccc21 ZINC000008963238 856678318 /nfs/dbraw/zinc/67/83/18/856678318.db2.gz BBIMNCFVDBVUBG-FQEVSTJZSA-N 0 3 385.458 3.524 50 10 GHCAHN CCOc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000008963228 856678574 /nfs/dbraw/zinc/67/85/74/856678574.db2.gz HEYLJOHIYCXWLO-JOCHJYFZSA-N 0 3 393.531 3.645 50 10 GHCAHN COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000013007667 859730045 /nfs/dbraw/zinc/73/00/45/859730045.db2.gz UHZULVIZUSFVKB-QHCPKHFHSA-N 0 3 393.531 3.645 50 10 GHCAHN COc1ccc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000005097944 570417141 /nfs/dbraw/zinc/41/71/41/570417141.db2.gz UOMNUIIAQRDJTI-QHCPKHFHSA-N 0 3 395.547 3.647 50 10 GHCAHN CN(C)c1ccc([C@H](CNC(=O)Cc2cccc3ccccc32)N(C)C)cc1 ZINC000005097799 570417171 /nfs/dbraw/zinc/41/71/71/570417171.db2.gz QVKPANHKYGHYNJ-QHCPKHFHSA-N 0 3 375.516 3.867 50 10 GHCAHN COc1ccc(C(=O)[C@H]2CCCN(Cc3c(O)cccc3OC)C2)cc1OC ZINC000011815897 570583788 /nfs/dbraw/zinc/58/37/88/570583788.db2.gz AEUXFRBKTCGNTK-INIZCTEOSA-N 0 3 385.460 3.513 50 10 GHCAHN COc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000022418411 861116509 /nfs/dbraw/zinc/11/65/09/861116509.db2.gz FULHDPGLMZEWEN-HXUWFJFHSA-N 0 3 382.508 3.720 50 10 GHCAHN COc1cccc(C[NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)c1[O-] ZINC000006407519 570383773 /nfs/dbraw/zinc/38/37/73/570383773.db2.gz IWSXJMLCBZSJJW-UHFFFAOYSA-N 0 3 388.895 3.583 50 10 GHCAHN O=C1CC[N@H+](Cc2c([O-])ccc3ccccc32)CCN1Cc1cccc(F)c1 ZINC000012245573 570630926 /nfs/dbraw/zinc/63/09/26/570630926.db2.gz XBIRIURKNKEAHN-UHFFFAOYSA-N 0 3 378.447 3.919 50 10 GHCAHN O=C1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CCN1Cc1cccc(F)c1 ZINC000012245573 570630929 /nfs/dbraw/zinc/63/09/29/570630929.db2.gz XBIRIURKNKEAHN-UHFFFAOYSA-N 0 3 378.447 3.919 50 10 GHCAHN CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(N4CCOCC4)cc32)CC1 ZINC000095696715 856471446 /nfs/dbraw/zinc/47/14/46/856471446.db2.gz BPSRTAPGDDZPEC-OAQYLSRUSA-N 0 3 395.572 3.519 50 10 GHCAHN COc1ccccc1COC[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000057949439 136154241 /nfs/dbraw/zinc/15/42/41/136154241.db2.gz VKFORMKXOCEHBK-QHCPKHFHSA-N 0 3 398.547 3.695 50 10 GHCAHN COc1ccc(C[NH+]2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000012713483 570703276 /nfs/dbraw/zinc/70/32/76/570703276.db2.gz VQDIALZMVFFXOU-UHFFFAOYSA-N 0 3 375.896 3.871 50 10 GHCAHN CCOc1ccc(CN[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1CO ZINC000012709696 570702193 /nfs/dbraw/zinc/70/21/93/570702193.db2.gz MQNVGQMGCBGHNG-SFHVURJKSA-N 0 3 397.544 3.946 50 10 GHCAHN COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007761 859730110 /nfs/dbraw/zinc/73/01/10/859730110.db2.gz TWYSSHXLZIFHOG-QHCPKHFHSA-N 0 3 393.531 3.645 50 10 GHCAHN C[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@@H](c1cc(Cl)ccc1[O-])N2 ZINC000015830400 207063379 /nfs/dbraw/zinc/06/33/79/207063379.db2.gz YVFYVFRJJYUSQQ-SFHVURJKSA-N 0 3 385.895 3.697 50 10 GHCAHN CN(C)c1ccc(/C=C/CN2CCc3nnc(Cc4ccccc4)n3CC2)cc1 ZINC000019595605 207144377 /nfs/dbraw/zinc/14/43/77/207144377.db2.gz MJHMERGVQNIVAR-RMKNXTFCSA-N 0 3 387.531 3.506 50 10 GHCAHN CC[C@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)N1CCc2ccccc2C1 ZINC000058756685 570735583 /nfs/dbraw/zinc/73/55/83/570735583.db2.gz YFMBXUPZVDQXSW-JOCHJYFZSA-N 0 3 394.563 3.731 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)CCc3ccccc3)N3CCCC3)ccc21 ZINC000008963303 856678627 /nfs/dbraw/zinc/67/86/27/856678627.db2.gz FJAHARSEJTZAPY-HSZRJFAPSA-N 0 3 377.532 3.565 50 10 GHCAHN CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(O)ccc3O)=NN12 ZINC000010214226 206374838 /nfs/dbraw/zinc/37/48/38/206374838.db2.gz KRWHOTIMQFGYOZ-FQEVSTJZSA-N 0 3 393.487 3.843 50 10 GHCAHN COc1cc(C[NH2+]Cc2cc(-c3cccnc3)ccc2[O-])cc(OC)c1OC ZINC000299783732 209089043 /nfs/dbraw/zinc/08/90/43/209089043.db2.gz XWDKAHUFUYTXGT-UHFFFAOYSA-N 0 3 380.444 3.770 50 10 GHCAHN COc1ccc(N2CCCN(C[C@@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000229506985 570664806 /nfs/dbraw/zinc/66/48/06/570664806.db2.gz HIMZRBGZZPIVCU-HXUWFJFHSA-N 0 3 394.437 3.960 50 10 GHCAHN CCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(O)cc3)=NN12 ZINC000010214585 206373993 /nfs/dbraw/zinc/37/39/93/206373993.db2.gz AZTHIOAKVRRTLW-HXUWFJFHSA-N 0 3 393.487 3.756 50 10 GHCAHN CN1CCCc2cc([C@@H](CNC(=O)Cc3cccs3)N3CCCC3)ccc21 ZINC000013008215 136200680 /nfs/dbraw/zinc/20/06/80/136200680.db2.gz UBSHGFSCJFMFEK-OAQYLSRUSA-N 0 3 383.561 3.626 50 10 GHCAHN COc1cccc(CN2CCC(N(C(C)=O)c3ccc(C)c(F)c3)CC2)c1O ZINC000034683628 570301466 /nfs/dbraw/zinc/30/14/66/570301466.db2.gz SNEJZJNSDYLDPL-UHFFFAOYSA-N 0 3 386.467 3.866 50 10 GHCAHN Cc1cc(=O)oc2c(C)c([O-])c(C[N@H+](C)C[C@@H]3CCCN4CCCC[C@H]34)cc12 ZINC000524730019 570420663 /nfs/dbraw/zinc/42/06/63/570420663.db2.gz RIJRAOMXGWECHM-FXAWDEMLSA-N 0 3 384.520 3.812 50 10 biogenic GHCAHN Cc1cc(=O)oc2c(C)c([O-])c(C[N@@H+](C)C[C@@H]3CCCN4CCCC[C@H]34)cc12 ZINC000524730019 570420664 /nfs/dbraw/zinc/42/06/64/570420664.db2.gz RIJRAOMXGWECHM-FXAWDEMLSA-N 0 3 384.520 3.812 50 10 biogenic GHCAHN Cc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000012711993 570702666 /nfs/dbraw/zinc/70/26/66/570702666.db2.gz OBIJYUYKCHYTGV-UHFFFAOYSA-N 0 3 390.487 3.987 50 10 GHCAHN COc1ccc(N2CCCN(C[C@@H](O)COc3c(C)ccc(C)c3C)CC2)cc1 ZINC000084147784 208087761 /nfs/dbraw/zinc/08/77/61/208087761.db2.gz TVVMLLPSGZRSOX-JOCHJYFZSA-N 0 3 398.547 3.572 50 10 GHCAHN CN1CCc2cc([C@H](CNC(=O)Cc3ccc(Cl)cc3)N3CCCC3)ccc21 ZINC000008963240 570210062 /nfs/dbraw/zinc/21/00/62/570210062.db2.gz DLNDXDXHJQQDBD-QFIPXVFZSA-N 0 3 397.950 3.828 50 10 GHCAHN CCOc1cccc(CN2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)c1O ZINC000012386230 570651236 /nfs/dbraw/zinc/65/12/36/570651236.db2.gz XVBXHORWHMJPDR-QGZVFWFLSA-N 0 3 399.487 3.903 50 10 GHCAHN Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1C ZINC000008963336 856678499 /nfs/dbraw/zinc/67/84/99/856678499.db2.gz YYSOUVOUFWZKPX-HSZRJFAPSA-N 0 3 377.532 3.863 50 10 GHCAHN COc1ccccc1COC[C@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000057949443 136154238 /nfs/dbraw/zinc/15/42/38/136154238.db2.gz VKFORMKXOCEHBK-HSZRJFAPSA-N 0 3 398.547 3.695 50 10 GHCAHN CCN1CCC2(CC1)N=C(c1ccccc1)C[C@@H](c1cccc(OC)c1O)N2 ZINC000065298170 570787428 /nfs/dbraw/zinc/78/74/28/570787428.db2.gz LDWHRFGVDJIWFW-FQEVSTJZSA-N 0 3 379.504 3.737 50 10 biogenic GHCAHN COc1cccc(COC[C@H](O)CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000006082952 570238963 /nfs/dbraw/zinc/23/89/63/570238963.db2.gz HZWXLMBCCIPKQM-HXUWFJFHSA-N 0 3 397.471 3.574 50 10 GHCAHN CCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000005098030 570417201 /nfs/dbraw/zinc/41/72/01/570417201.db2.gz DBOIRFOIHXNNHH-QFIPXVFZSA-N 0 3 381.520 3.718 50 10 GHCAHN COc1ccc(N2CCN(C(=O)c3ccc(CN4CCCCC4)cc3)CC2)cc1 ZINC000010113914 570566088 /nfs/dbraw/zinc/56/60/88/570566088.db2.gz ZIIKNUXROBSEON-UHFFFAOYSA-N 0 3 393.531 3.644 50 10 GHCAHN COC(=O)c1cc2ccccc2c(CN2CCN(c3ccccc3F)CC2)c1O ZINC000016834508 210198718 /nfs/dbraw/zinc/19/87/18/210198718.db2.gz SYZMKAQIDKTKGE-UHFFFAOYSA-N 0 3 394.446 3.793 50 10 GHCAHN Cc1nccn1-c1ccc([C@@H](C)NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000095459050 136179228 /nfs/dbraw/zinc/17/92/28/136179228.db2.gz WWDJBKVZVTWRLB-LJQANCHMSA-N 0 3 389.547 3.783 50 10 GHCAHN CN1CCCc2cc([C@H](CNC(=O)Cc3cccs3)N3CCCC3)ccc21 ZINC000013008218 536397195 /nfs/dbraw/zinc/39/71/95/536397195.db2.gz UBSHGFSCJFMFEK-NRFANRHFSA-N 0 3 383.561 3.626 50 10 GHCAHN CN1CCCc2cc([C@@H](CNC(=O)c3c(F)cccc3F)N3CCCC3)ccc21 ZINC000013008205 536397350 /nfs/dbraw/zinc/39/73/50/536397350.db2.gz PKMFIQVSBLCNTJ-OAQYLSRUSA-N 0 3 399.485 3.914 50 10 GHCAHN CCOc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000005097930 570417165 /nfs/dbraw/zinc/41/71/65/570417165.db2.gz PAPNCNAFFUOQLQ-OAQYLSRUSA-N 0 3 381.520 3.718 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)c3c(F)cccc3F)N3CCCC3)ccc21 ZINC000008963237 856678187 /nfs/dbraw/zinc/67/81/87/856678187.db2.gz BBIMNCFVDBVUBG-HXUWFJFHSA-N 0 3 385.458 3.524 50 10 GHCAHN Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCC2)cc1C ZINC000008963335 856678307 /nfs/dbraw/zinc/67/83/07/856678307.db2.gz YYSOUVOUFWZKPX-QHCPKHFHSA-N 0 3 377.532 3.863 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)c3ccccc3F)N3CCCCC3)ccc21 ZINC000013007708 859730152 /nfs/dbraw/zinc/73/01/52/859730152.db2.gz WANJVHDOKOQNHW-JOCHJYFZSA-N 0 3 381.495 3.775 50 10 GHCAHN CCOc1ccc(C2=NC3(CC[NH+](C)CC3)N[C@@H](c3ccccc3[O-])C2)cc1 ZINC000065297894 570787633 /nfs/dbraw/zinc/78/76/33/570787633.db2.gz AOEUPBMGAPDZEL-OAQYLSRUSA-N 0 3 379.504 3.737 50 10 biogenic GHCAHN COc1ccccc1COC[C@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000003394635 862383755 /nfs/dbraw/zinc/38/37/55/862383755.db2.gz AKZURUOWLYNVIC-HXUWFJFHSA-N 0 3 397.471 3.574 50 10 GHCAHN COc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000022418413 861115967 /nfs/dbraw/zinc/11/59/67/861115967.db2.gz FULHDPGLMZEWEN-FQEVSTJZSA-N 0 3 382.508 3.720 50 10 GHCAHN COc1ccc(N2CCN([C@@H]3CCCN(Cc4cccc(C)c4)C3)CC2)cc1 ZINC000020201718 210322918 /nfs/dbraw/zinc/32/29/18/210322918.db2.gz VEUNYZWAONCPJW-HSZRJFAPSA-N 0 3 379.548 3.790 50 10 GHCAHN CN(C)c1ccc([C@H](CNC(=O)c2ccccc2Br)N(C)C)cc1 ZINC000005097803 570417136 /nfs/dbraw/zinc/41/71/36/570417136.db2.gz NZLGBFYQOGJLBX-SFHVURJKSA-N 0 3 390.325 3.548 50 10 GHCAHN Cc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 ZINC000013007671 859730235 /nfs/dbraw/zinc/73/02/35/859730235.db2.gz CZXMEJLJCXUJAQ-QHCPKHFHSA-N 0 3 377.532 3.944 50 10 GHCAHN Cc1oc2ccc(O)c(CN3CCN(C)CC3)c2c1C(=O)Nc1ccccc1C ZINC000019794017 210297986 /nfs/dbraw/zinc/29/79/86/210297986.db2.gz AHMQDXJZWIDGGL-UHFFFAOYSA-N 0 3 393.487 3.755 50 10 GHCAHN Cc1c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000005097948 570417149 /nfs/dbraw/zinc/41/71/49/570417149.db2.gz BZIXZIKFFVSNFY-OAQYLSRUSA-N 0 3 396.491 3.536 50 10 GHCAHN COc1ccc(C(=O)[C@@H]2CCCN(Cc3c(O)cccc3OC)C2)cc1OC ZINC000011815898 570584428 /nfs/dbraw/zinc/58/44/28/570584428.db2.gz AEUXFRBKTCGNTK-MRXNPFEDSA-N 0 3 385.460 3.513 50 10 GHCAHN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000012297242 570634230 /nfs/dbraw/zinc/63/42/30/570634230.db2.gz QTCSGNUZNKPCMJ-HSZRJFAPSA-N 0 3 383.488 3.789 50 10 GHCAHN CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000012297242 570634234 /nfs/dbraw/zinc/63/42/34/570634234.db2.gz QTCSGNUZNKPCMJ-HSZRJFAPSA-N 0 3 383.488 3.789 50 10 GHCAHN CCN1CCC2(CC1)N=C(c1ccc(F)cc1)C[C@H](c1cccc(OC)c1O)N2 ZINC000065298195 570787372 /nfs/dbraw/zinc/78/73/72/570787372.db2.gz YQVMSZNIOUBAPJ-HXUWFJFHSA-N 0 3 397.494 3.876 50 10 biogenic GHCAHN C[NH+]1CCC2(CC1)N=C(c1cc(Cl)ccc1[O-])C[C@@H](c1ccccc1O)N2 ZINC000015830182 210172860 /nfs/dbraw/zinc/17/28/60/210172860.db2.gz NREFVWWKFAFPNW-KRWDZBQOSA-N 0 3 385.895 3.697 50 10 biogenic GHCAHN Cc1cccc(CC(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)c1 ZINC000013007775 859730143 /nfs/dbraw/zinc/73/01/43/859730143.db2.gz BLXWIYCFXARJDP-XMMPIXPASA-N 0 3 391.559 3.873 50 10 GHCAHN Oc1cc2c(cc1CN1CCN(c3ccc(C(F)(F)F)cn3)CC1)CCC2 ZINC000023732283 570370483 /nfs/dbraw/zinc/37/04/83/570370483.db2.gz UUEHGOHILGMISK-UHFFFAOYSA-N 0 3 377.410 3.617 50 10 GHCAHN CN1CCc2cc([C@H](CNC(=O)c3ccc(F)c(F)c3)N3CCCCC3)ccc21 ZINC000013007786 859730206 /nfs/dbraw/zinc/73/02/06/859730206.db2.gz JJFZODNMRPUAJM-QFIPXVFZSA-N 0 3 399.485 3.914 50 10 GHCAHN C[NH+]1CCC2(CC1)N=C(c1ccccc1O)C[C@H](c1cc(Cl)ccc1[O-])N2 ZINC000015830398 210173152 /nfs/dbraw/zinc/17/31/52/210173152.db2.gz YVFYVFRJJYUSQQ-GOSISDBHSA-N 0 3 385.895 3.697 50 10 GHCAHN Cc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 ZINC000013008203 136200744 /nfs/dbraw/zinc/20/07/44/136200744.db2.gz OOQIGYNPYJSIGA-QHCPKHFHSA-N 0 3 377.532 3.944 50 10 GHCAHN CN1CCCc2cc([C@@H](CNC(=O)Cc3ccc(F)cc3)N3CCCC3)ccc21 ZINC000013008224 136200773 /nfs/dbraw/zinc/20/07/73/136200773.db2.gz WLCTYGFQWRLCEP-HSZRJFAPSA-N 0 3 395.522 3.704 50 10 GHCAHN CN1CCCc2cc([C@H](CNC(=O)Cc3ccc(F)cc3)N3CCCC3)ccc21 ZINC000013008226 536397436 /nfs/dbraw/zinc/39/74/36/536397436.db2.gz WLCTYGFQWRLCEP-QHCPKHFHSA-N 0 3 395.522 3.704 50 10 GHCAHN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000012297243 570634167 /nfs/dbraw/zinc/63/41/67/570634167.db2.gz QTCSGNUZNKPCMJ-QHCPKHFHSA-N 0 3 383.488 3.789 50 10 GHCAHN CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000012297243 570634172 /nfs/dbraw/zinc/63/41/72/570634172.db2.gz QTCSGNUZNKPCMJ-QHCPKHFHSA-N 0 3 383.488 3.789 50 10 GHCAHN Cc1cc(O)c(CN2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1C ZINC000058537495 570734500 /nfs/dbraw/zinc/73/45/00/570734500.db2.gz ABJOGLXAGMFMJV-UHFFFAOYSA-N 0 3 381.472 3.875 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)c3cccc(F)c3)N3CCCCC3)ccc21 ZINC000013007729 859730169 /nfs/dbraw/zinc/73/01/69/859730169.db2.gz VIGNEPMGRLNPNP-JOCHJYFZSA-N 0 3 381.495 3.775 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)c3ccc(F)cc3)N3CCCCC3)ccc21 ZINC000013007720 859730294 /nfs/dbraw/zinc/73/02/94/859730294.db2.gz XJTJWOCXKFVVGI-JOCHJYFZSA-N 0 3 381.495 3.775 50 10 GHCAHN CCOc1ccc(CN[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1CO ZINC000012709692 570702131 /nfs/dbraw/zinc/70/21/31/570702131.db2.gz MQNVGQMGCBGHNG-GOSISDBHSA-N 0 3 397.544 3.946 50 10 GHCAHN CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(O)ccc3O)=NN12 ZINC000010214228 209320465 /nfs/dbraw/zinc/32/04/65/209320465.db2.gz KRWHOTIMQFGYOZ-HXUWFJFHSA-N 0 3 393.487 3.843 50 10 GHCAHN COc1cccc(N(C(C)=O)C2CCN(Cc3ccc(N(C)C)cc3)CC2)c1 ZINC000034683131 570301094 /nfs/dbraw/zinc/30/10/94/570301094.db2.gz WQNJTOYIXSBZNM-UHFFFAOYSA-N 0 3 381.520 3.779 50 10 GHCAHN Cc1c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000005097947 570417013 /nfs/dbraw/zinc/41/70/13/570417013.db2.gz BZIXZIKFFVSNFY-NRFANRHFSA-N 0 3 396.491 3.536 50 10 GHCAHN CCCCOc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 ZINC000005097867 570417083 /nfs/dbraw/zinc/41/70/83/570417083.db2.gz QSQORAKFPTUFHM-QFIPXVFZSA-N 0 3 383.536 3.964 50 10 GHCAHN CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2Br)N(C)C)cc1 ZINC000005097802 570417162 /nfs/dbraw/zinc/41/71/62/570417162.db2.gz NZLGBFYQOGJLBX-GOSISDBHSA-N 0 3 390.325 3.548 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)N3CCCC3)ccc21 ZINC000008963333 856678024 /nfs/dbraw/zinc/67/80/24/856678024.db2.gz XXUWZXZSPUJVGT-OAQYLSRUSA-N 0 3 383.923 3.899 50 10 GHCAHN COc1ccc(N2CCCN(C[C@H](O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000051473623 570279977 /nfs/dbraw/zinc/27/99/77/570279977.db2.gz HIMZRBGZZPIVCU-FQEVSTJZSA-N 0 3 394.437 3.960 50 10 GHCAHN Cc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c(C)n1-c1ccncc1 ZINC000004661125 570390623 /nfs/dbraw/zinc/39/06/23/570390623.db2.gz OFYJSXDSCKNVEW-FYJGNVAPSA-N 0 3 386.455 3.890 50 10 GHCAHN CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N2CCCC2)cc1 ZINC000005097940 570417088 /nfs/dbraw/zinc/41/70/88/570417088.db2.gz OWNABPWCGLBUIP-OAQYLSRUSA-N 0 3 385.939 3.902 50 10 GHCAHN CN1CCCc2cc([C@H](CNC(=O)NCc3cccs3)N3CCCC3)ccc21 ZINC000036705364 209847812 /nfs/dbraw/zinc/84/78/12/209847812.db2.gz XQLUEPIXQFMVTR-NRFANRHFSA-N 0 3 398.576 3.767 50 10 GHCAHN COc1ccc(N2CCN([C@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 ZINC000019850623 210302910 /nfs/dbraw/zinc/30/29/10/210302910.db2.gz PNRHJDVXRCZVRA-NRFANRHFSA-N 0 3 383.511 3.621 50 10 GHCAHN CN(C)c1cc(NCCN2CCCC2)c2c3c1noc3-c1ccccc1C2=O ZINC000006737859 570562227 /nfs/dbraw/zinc/56/22/27/570562227.db2.gz OCFZJPPNRUKPBB-UHFFFAOYSA-N 0 3 376.460 3.613 50 10 GHCAHN Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccncc1 ZINC000001163169 209308820 /nfs/dbraw/zinc/30/88/20/209308820.db2.gz MOQNYRQDGJPYKG-UDWIEESQSA-N 0 3 390.418 3.721 50 10 GHCAHN Cc1c(C)c(=O)oc2c1ccc([O-])c2C[N@H+](C)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524731031 570765328 /nfs/dbraw/zinc/76/53/28/570765328.db2.gz HRDURUSTQFCTOI-FXAWDEMLSA-N 0 3 384.520 3.812 50 10 biogenic GHCAHN Cc1c(C)c(=O)oc2c1ccc([O-])c2C[N@@H+](C)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524731031 570765330 /nfs/dbraw/zinc/76/53/30/570765330.db2.gz HRDURUSTQFCTOI-FXAWDEMLSA-N 0 3 384.520 3.812 50 10 biogenic GHCAHN Cc1c(C)c(=O)oc2c1ccc([O-])c2CN(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731031 570765332 /nfs/dbraw/zinc/76/53/32/570765332.db2.gz HRDURUSTQFCTOI-FXAWDEMLSA-N 0 3 384.520 3.812 50 10 biogenic GHCAHN Cc1c(C)c(=O)oc2c1ccc([O-])c2CN(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524731031 570765333 /nfs/dbraw/zinc/76/53/33/570765333.db2.gz HRDURUSTQFCTOI-FXAWDEMLSA-N 0 3 384.520 3.812 50 10 biogenic GHCAHN CCN1CCC2(CC1)N=C(c1ccccc1)C[C@H](c1cccc(OC)c1O)N2 ZINC000065298171 570787443 /nfs/dbraw/zinc/78/74/43/570787443.db2.gz LDWHRFGVDJIWFW-HXUWFJFHSA-N 0 3 379.504 3.737 50 10 biogenic GHCAHN COc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 ZINC000011027654 221109797 /nfs/dbraw/zinc/10/97/97/221109797.db2.gz YWBXHRVJRLBQLN-QFIPXVFZSA-N 0 3 393.531 3.645 50 10 GHCAHN COc1ccc(C(=O)[C@@H]2CCCN(Cc3c(O)cccc3OC)C2)c(OC)c1 ZINC000012074041 221147231 /nfs/dbraw/zinc/14/72/31/221147231.db2.gz JQVWVPVJPHHMSD-OAHLLOKOSA-N 0 3 385.460 3.513 50 10 GHCAHN Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000013007803 221256652 /nfs/dbraw/zinc/25/66/52/221256652.db2.gz XLRVLIUJGFVNST-HSZRJFAPSA-N 0 3 377.532 3.944 50 10 GHCAHN CN1CCCc2cc([C@@H](CNC(=O)c3cccc(F)c3)N3CCCC3)ccc21 ZINC000013008228 536397564 /nfs/dbraw/zinc/39/75/64/536397564.db2.gz FNNXILWAPXLIEC-JOCHJYFZSA-N 0 3 381.495 3.775 50 10 GHCAHN CCOc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 ZINC000005097929 570417080 /nfs/dbraw/zinc/41/70/80/570417080.db2.gz PAPNCNAFFUOQLQ-NRFANRHFSA-N 0 3 381.520 3.718 50 10 GHCAHN COc1ccc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCC2)cc1 ZINC000005097942 571040360 /nfs/dbraw/zinc/04/03/60/571040360.db2.gz UOMNUIIAQRDJTI-HSZRJFAPSA-N 0 3 395.547 3.647 50 10 GHCAHN O=C(c1ccc(OC2CC[NH+](Cc3ccccc3[O-])CC2)cc1)N1CCCC1 ZINC000012050062 221144292 /nfs/dbraw/zinc/14/42/92/221144292.db2.gz BOELPFTZFAJDAL-UHFFFAOYSA-N 0 3 380.488 3.672 50 10 GHCAHN CC(C)c1ccc(C(=O)Nc2cccc(N3CCN(CCN(C)C)CC3)c2)cc1 ZINC000048374657 132433857 /nfs/dbraw/zinc/43/38/57/132433857.db2.gz BLXSNWZKEXUQEE-UHFFFAOYSA-N 0 3 394.563 3.746 50 10 GHCAHN COc1cc(CN2CCC(OC3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000095974170 222367350 /nfs/dbraw/zinc/36/73/50/222367350.db2.gz TYBMUHDTPNUQJO-UHFFFAOYSA-N 0 3 377.525 3.858 50 10 GHCAHN CN(C)c1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N(C)C)cc1 ZINC000005097768 570417111 /nfs/dbraw/zinc/41/71/11/570417111.db2.gz SWWKHGVQLBBHBT-GOSISDBHSA-N 0 3 390.325 3.548 50 10 GHCAHN CN1CCc2cc([C@H](CNC(=O)CCc3ccccc3)N3CCCCC3)ccc21 ZINC000013007736 221256881 /nfs/dbraw/zinc/25/68/81/221256881.db2.gz NDUQMWFUUHVYRR-DEOSSOPVSA-N 0 3 391.559 3.955 50 10 GHCAHN CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 ZINC000013008155 534980333 /nfs/dbraw/zinc/98/03/33/534980333.db2.gz PTTDMVQUKXWXKE-HSZRJFAPSA-N 0 3 395.547 3.889 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)Nc3ccc(F)cc3)N3CCCC3)ccc21 ZINC000035597201 570399844 /nfs/dbraw/zinc/39/98/44/570399844.db2.gz JUJOLJUDGSFVJZ-OAQYLSRUSA-N 0 3 382.483 3.777 50 10 GHCAHN COc1ccccc1NC(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000035597214 570399905 /nfs/dbraw/zinc/39/99/05/570399905.db2.gz BEAOTLZUURQTIW-NRFANRHFSA-N 0 3 394.519 3.646 50 10 GHCAHN COc1ccc(CNCc2cccc(Br)c2)cc1Cn1ccnc1 ZINC000009740770 857335786 /nfs/dbraw/zinc/33/57/86/857335786.db2.gz QKCOGFOHGQAWOV-UHFFFAOYSA-N 0 3 386.293 3.992 50 10 GHCAHN O=C(c1ccco1)N1CCCN(C2CCN(c3ccc4c(c3)CCC4)CC2)CC1 ZINC000952985838 904671622 /nfs/dbraw/zinc/67/16/22/904671622.db2.gz HREUZZSSMMHRTD-UHFFFAOYSA-N 0 3 393.531 3.585 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)Cc3ccc(Cl)cc3)N3CCCC3)ccc21 ZINC000008963239 221065817 /nfs/dbraw/zinc/06/58/17/221065817.db2.gz DLNDXDXHJQQDBD-JOCHJYFZSA-N 0 3 397.950 3.828 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)c3ccc(F)c(F)c3)N3CCCCC3)ccc21 ZINC000013007784 221256741 /nfs/dbraw/zinc/25/67/41/221256741.db2.gz JJFZODNMRPUAJM-JOCHJYFZSA-N 0 3 399.485 3.914 50 10 GHCAHN COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000013007666 221256953 /nfs/dbraw/zinc/25/69/53/221256953.db2.gz UHZULVIZUSFVKB-HSZRJFAPSA-N 0 3 393.531 3.645 50 10 GHCAHN COc1ccccc1NC(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCC1 ZINC000035597213 570399987 /nfs/dbraw/zinc/39/99/87/570399987.db2.gz BEAOTLZUURQTIW-OAQYLSRUSA-N 0 3 394.519 3.646 50 10 GHCAHN CCN1CCC[C@H]1CNC(=S)N(Cc1ccccc1O)c1ccc(F)cc1 ZINC000032909057 570909828 /nfs/dbraw/zinc/90/98/28/570909828.db2.gz UCIDFUFQHOMRNC-IBGZPJMESA-N 0 3 387.524 3.897 50 10 GHCAHN Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccncc1 ZINC000002115394 570952568 /nfs/dbraw/zinc/95/25/68/570952568.db2.gz OSIOXDQPLDGMAV-NDENLUEZSA-N 0 3 390.418 3.721 50 10 GHCAHN CCCOc1ccc(C[N@@H+]2CCCN(Cc3ccc(OC)cc3)CC2)c([O-])c1 ZINC000095453786 860588463 /nfs/dbraw/zinc/58/84/63/860588463.db2.gz PAQBVPVMMOVXCC-UHFFFAOYSA-N 0 3 384.520 3.898 50 10 GHCAHN CCCOc1ccc(C[N@H+]2CCCN(Cc3ccc(OC)cc3)CC2)c([O-])c1 ZINC000095453786 860588472 /nfs/dbraw/zinc/58/84/72/860588472.db2.gz PAQBVPVMMOVXCC-UHFFFAOYSA-N 0 3 384.520 3.898 50 10 GHCAHN C[N@@H+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000409414054 529974663 /nfs/dbraw/zinc/97/46/63/529974663.db2.gz MXVRSXOWINBFQG-HRAATJIYSA-N 0 3 396.531 3.684 50 10 biogenic GHCAHN C[N@H+](Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000409414054 529974664 /nfs/dbraw/zinc/97/46/64/529974664.db2.gz MXVRSXOWINBFQG-HRAATJIYSA-N 0 3 396.531 3.684 50 10 biogenic GHCAHN CN(Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000409414054 529974666 /nfs/dbraw/zinc/97/46/66/529974666.db2.gz MXVRSXOWINBFQG-HRAATJIYSA-N 0 3 396.531 3.684 50 10 biogenic GHCAHN CN(Cc1c([O-])ccc2c3c(c(=O)oc21)CCC3)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000409414054 529974667 /nfs/dbraw/zinc/97/46/67/529974667.db2.gz MXVRSXOWINBFQG-HRAATJIYSA-N 0 3 396.531 3.684 50 10 biogenic GHCAHN COc1cccc(C[NH+]2CCC(CO)(Cc3ccc(Cl)cc3)CC2)c1[O-] ZINC000012749340 221224641 /nfs/dbraw/zinc/22/46/41/221224641.db2.gz VHRSSVLNTDLDAU-UHFFFAOYSA-N 0 3 375.896 3.871 50 10 GHCAHN Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1 ZINC000013007805 221257043 /nfs/dbraw/zinc/25/70/43/221257043.db2.gz XLRVLIUJGFVNST-QHCPKHFHSA-N 0 3 377.532 3.944 50 10 GHCAHN CCOc1cccc(CN2CCC[C@@H](C(=O)c3ccc(OC)cc3OC)C2)c1O ZINC000015068691 221328684 /nfs/dbraw/zinc/32/86/84/221328684.db2.gz DFVWPNPSPHGVAM-MRXNPFEDSA-N 0 3 399.487 3.903 50 10 GHCAHN O=C(/C=C\c1ccc(N2CCCCCC2)cc1)N1CCN(c2ccncc2)CC1 ZINC000096891805 136187662 /nfs/dbraw/zinc/18/76/62/136187662.db2.gz FMNQQULDQHTAFT-YFHOEESVSA-N 0 3 390.531 3.824 50 10 GHCAHN CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N(C)C)cc1 ZINC000013008157 136200700 /nfs/dbraw/zinc/20/07/00/136200700.db2.gz PTTDMVQUKXWXKE-QHCPKHFHSA-N 0 3 395.547 3.889 50 10 GHCAHN COc1ccc(N2CCCN(C[C@H](O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000051473626 222007148 /nfs/dbraw/zinc/00/71/48/222007148.db2.gz NIHCTIPUXCVWPZ-FQEVSTJZSA-N 0 3 394.437 3.960 50 10 GHCAHN O=C(c1ccccc1OC1CC[NH+](Cc2ccccc2[O-])CC1)N1CCCC1 ZINC000011753419 221122708 /nfs/dbraw/zinc/12/27/08/221122708.db2.gz UDWFQXXXTATTMZ-UHFFFAOYSA-N 0 3 380.488 3.672 50 10 GHCAHN COc1ccc([O-])c(C[NH+]2CCC(CO)(Cc3ccccc3Cl)CC2)c1 ZINC000012051987 221145489 /nfs/dbraw/zinc/14/54/89/221145489.db2.gz MZNDREHFGMDDNR-UHFFFAOYSA-N 0 3 375.896 3.871 50 10 GHCAHN CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000004725504 570398100 /nfs/dbraw/zinc/39/81/00/570398100.db2.gz MSYSHVIDABQNAX-UHFFFAOYSA-N 0 3 382.504 3.662 50 10 GHCAHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCSc2nccs2)c1 ZINC000072289951 570482900 /nfs/dbraw/zinc/48/29/00/570482900.db2.gz BFDCAHWRZTWLNO-UHFFFAOYSA-N 0 3 375.422 3.925 50 10 GHCAHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000023358028 570356172 /nfs/dbraw/zinc/35/61/72/570356172.db2.gz HPAHXJQSTSDATJ-OAQYLSRUSA-N 0 3 394.490 3.753 50 10 GHCAHN [O-]c1ccc2ccccc2c1C[N@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000023358028 570356174 /nfs/dbraw/zinc/35/61/74/570356174.db2.gz HPAHXJQSTSDATJ-OAQYLSRUSA-N 0 3 394.490 3.753 50 10 GHCAHN CN1CCc2cc([C@H](CNC(=O)CCc3ccccc3)N3CCCC3)ccc21 ZINC000008963304 221065271 /nfs/dbraw/zinc/06/52/71/221065271.db2.gz FJAHARSEJTZAPY-QHCPKHFHSA-N 0 3 377.532 3.565 50 10 GHCAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000012571616 221208144 /nfs/dbraw/zinc/20/81/44/221208144.db2.gz FJUGVUWMCSBHEL-HSZRJFAPSA-N 0 3 383.488 3.789 50 10 GHCAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000012571616 221208148 /nfs/dbraw/zinc/20/81/48/221208148.db2.gz FJUGVUWMCSBHEL-HSZRJFAPSA-N 0 3 383.488 3.789 50 10 GHCAHN CCN(CC)c1ccc(CN2CCC(=O)N(Cc3ccc(OC)cc3)CC2)cc1 ZINC000014889592 221318534 /nfs/dbraw/zinc/31/85/34/221318534.db2.gz FHTUQBFSMZRROH-UHFFFAOYSA-N 0 3 395.547 3.776 50 10 GHCAHN CCC(=O)N(c1ccc(OC)cc1)C1CCN(Cc2cccc(OC)c2O)CC1 ZINC000034683222 570301077 /nfs/dbraw/zinc/30/10/77/570301077.db2.gz FWYMGWGPNALPLG-UHFFFAOYSA-N 0 3 398.503 3.817 50 10 GHCAHN CN1CCc2cc([C@@H](CNC(=O)c3ccc(F)c(F)c3)N3CCCC3)ccc21 ZINC000008963351 221065127 /nfs/dbraw/zinc/06/51/27/221065127.db2.gz BGECZPXOTFDARA-OAQYLSRUSA-N 0 3 385.458 3.524 50 10 GHCAHN CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000014949402 221318810 /nfs/dbraw/zinc/31/88/10/221318810.db2.gz XIGCUNPIAMJICU-QHCPKHFHSA-N 0 3 383.488 3.789 50 10 GHCAHN CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000014949402 221318813 /nfs/dbraw/zinc/31/88/13/221318813.db2.gz XIGCUNPIAMJICU-QHCPKHFHSA-N 0 3 383.488 3.789 50 10 GHCAHN CN1CCN([C@H]2Cc3ccccc3Sc3ccc(N4CCOCC4)cc32)CC1 ZINC000095696716 913660800 /nfs/dbraw/zinc/66/08/00/913660800.db2.gz BPSRTAPGDDZPEC-NRFANRHFSA-N 0 3 395.572 3.519 50 10 GHCAHN COCC[N@@H+](Cc1ccccc1[O-])CC1CCN(Cc2ccccc2F)CC1 ZINC000012431876 221193816 /nfs/dbraw/zinc/19/38/16/221193816.db2.gz WFBIDYGKMYBYIF-UHFFFAOYSA-N 0 3 386.511 3.892 50 10 GHCAHN COCC[N@H+](Cc1ccccc1[O-])CC1CCN(Cc2ccccc2F)CC1 ZINC000012431876 221193818 /nfs/dbraw/zinc/19/38/18/221193818.db2.gz WFBIDYGKMYBYIF-UHFFFAOYSA-N 0 3 386.511 3.892 50 10 GHCAHN COc1ccc(N2CCN([C@@H]3CCCN(Cc4ccccc4F)C3)CC2)cc1 ZINC000019850620 570225527 /nfs/dbraw/zinc/22/55/27/570225527.db2.gz PNRHJDVXRCZVRA-OAQYLSRUSA-N 0 3 383.511 3.621 50 10 GHCAHN Cc1cccc(CC(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 ZINC000016838242 221372827 /nfs/dbraw/zinc/37/28/27/221372827.db2.gz VVGVKVMTDSTPQD-DEOSSOPVSA-N 0 3 391.559 3.873 50 10 GHCAHN CCc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000409414817 529508672 /nfs/dbraw/zinc/50/86/72/529508672.db2.gz XNCKFHGJSHCZLC-FXAWDEMLSA-N 0 3 384.520 3.757 50 10 biogenic GHCAHN CCc1cc(=O)oc2c1ccc([O-])c2C[N@@H+](C)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000409414817 529508673 /nfs/dbraw/zinc/50/86/73/529508673.db2.gz XNCKFHGJSHCZLC-FXAWDEMLSA-N 0 3 384.520 3.757 50 10 biogenic GHCAHN CCc1cc(=O)oc2c1ccc([O-])c2CN(C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000409414817 529508675 /nfs/dbraw/zinc/50/86/75/529508675.db2.gz XNCKFHGJSHCZLC-FXAWDEMLSA-N 0 3 384.520 3.757 50 10 biogenic GHCAHN CCc1cc(=O)oc2c1ccc([O-])c2CN(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000409414817 529508677 /nfs/dbraw/zinc/50/86/77/529508677.db2.gz XNCKFHGJSHCZLC-FXAWDEMLSA-N 0 3 384.520 3.757 50 10 biogenic GHCAHN CN1CCc2cc([C@H](CNC(=O)c3ccc(F)cc3)N3CCCCC3)ccc21 ZINC000013007722 221257037 /nfs/dbraw/zinc/25/70/37/221257037.db2.gz XJTJWOCXKFVVGI-QFIPXVFZSA-N 0 3 381.495 3.775 50 10 GHCAHN COc1ccc2ccc([O-])c(C[NH+]3CCC(c4nnc5ccccn54)CC3)c2c1 ZINC000014184717 221302805 /nfs/dbraw/zinc/30/28/05/221302805.db2.gz QELYRDGAYZDRPM-UHFFFAOYSA-N 0 3 388.471 3.976 50 10 GHCAHN CN1CCCc2cc([C@@H](CNC(=O)c3ccc(F)cc3)N3CCCC3)ccc21 ZINC000013008220 536397628 /nfs/dbraw/zinc/39/76/28/536397628.db2.gz KGDWGEDREIRPOF-JOCHJYFZSA-N 0 3 381.495 3.775 50 10 GHCAHN CN1CCCc2cc([C@H](CNC(=O)c3cccc(F)c3)N3CCCC3)ccc21 ZINC000013008230 536397656 /nfs/dbraw/zinc/39/76/56/536397656.db2.gz FNNXILWAPXLIEC-QFIPXVFZSA-N 0 3 381.495 3.775 50 10 GHCAHN CN(C)c1ccc([C@@H]2C[C@H]3CN(CCc4ccccc4)C(=O)[C@]34CCCN24)cc1 ZINC000011937590 221139099 /nfs/dbraw/zinc/13/90/99/221139099.db2.gz VVRDMFUPIGVGMO-RSEQLOHWSA-N 0 3 389.543 3.733 50 10 GHCAHN COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)cc1 ZINC000016838187 221372188 /nfs/dbraw/zinc/37/21/88/221372188.db2.gz DIVSZZDKIVGKHV-QHCPKHFHSA-N 0 3 393.531 3.645 50 10 GHCAHN CN1CCc2cc([C@H](CNC(=O)Nc3ccc(F)cc3)N3CCCC3)ccc21 ZINC000035597202 570400065 /nfs/dbraw/zinc/40/00/65/570400065.db2.gz JUJOLJUDGSFVJZ-NRFANRHFSA-N 0 3 382.483 3.777 50 10 GHCAHN CCOc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1OCC ZINC000005097754 570416997 /nfs/dbraw/zinc/41/69/97/570416997.db2.gz LMWPFNPDKFVRSR-HXUWFJFHSA-N 0 3 399.535 3.583 50 10 GHCAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000014949399 221319014 /nfs/dbraw/zinc/31/90/14/221319014.db2.gz XIGCUNPIAMJICU-HSZRJFAPSA-N 0 3 383.488 3.789 50 10 GHCAHN CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000014949399 221319016 /nfs/dbraw/zinc/31/90/16/221319016.db2.gz XIGCUNPIAMJICU-HSZRJFAPSA-N 0 3 383.488 3.789 50 10 GHCAHN COc1ccc(COC[C@H](O)CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000006082934 570238680 /nfs/dbraw/zinc/23/86/80/570238680.db2.gz UTHQOGRCZCRLBQ-HXUWFJFHSA-N 0 3 397.471 3.574 50 10 GHCAHN CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(O)c(OC)c3)=NN12 ZINC000005093403 570415873 /nfs/dbraw/zinc/41/58/73/570415873.db2.gz CYILUWOXRHDJTG-LJQANCHMSA-N 0 3 393.487 3.756 50 10 GHCAHN CCN1CCC[C@@H]1CNC(=S)N(Cc1ccccc1O)c1ccc(F)cc1 ZINC000032909056 570909907 /nfs/dbraw/zinc/90/99/07/570909907.db2.gz UCIDFUFQHOMRNC-LJQANCHMSA-N 0 3 387.524 3.897 50 10 GHCAHN CC(=O)Oc1ccc2ccc([O-])c(C[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1 ZINC000095464577 136179394 /nfs/dbraw/zinc/17/93/94/136179394.db2.gz YDOOFMMHNMAGFE-UHFFFAOYSA-N 0 3 394.446 3.932 50 10 GHCAHN CCN1CCC2(CC1)N=C(c1ccc(F)cc1)C[C@@H](c1cccc(OC)c1O)N2 ZINC000065298193 222121571 /nfs/dbraw/zinc/12/15/71/222121571.db2.gz YQVMSZNIOUBAPJ-FQEVSTJZSA-N 0 3 397.494 3.876 50 10 biogenic GHCAHN Cc1cc(C)c(O)c(CN2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 ZINC000067726134 222157573 /nfs/dbraw/zinc/15/75/73/222157573.db2.gz WGCDTVMSEILGOJ-UHFFFAOYSA-N 0 3 377.444 3.686 50 10 GHCAHN