smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CC([N@H+](Cc2ccncc2)Cc2ccc(O)cc2)CC(C)(C)[NH2+]1 ZINC000013992673 206307008 /nfs/dbraw/zinc/30/70/08/206307008.db2.gz RMAZCBGYCOUPJJ-UHFFFAOYSA-N 2 1 353.510 4.099 40 0 FIABMP CC1(C)CC([N@@H+](Cc2ccncc2)Cc2ccc(O)cc2)CC(C)(C)[NH2+]1 ZINC000013992673 206307012 /nfs/dbraw/zinc/30/70/12/206307012.db2.gz RMAZCBGYCOUPJJ-UHFFFAOYSA-N 2 1 353.510 4.099 40 0 FIABMP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](c3[nH+]c(C)n4ccccc34)C2)c1 ZINC000019240665 570884096 /nfs/dbraw/zinc/88/40/96/570884096.db2.gz DKWMRFTYLCZNCT-QGZVFWFLSA-N 2 1 365.477 4.040 40 0 FIABMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H](c3[nH+]c(C)n4ccccc34)C2)c1 ZINC000019240665 570884099 /nfs/dbraw/zinc/88/40/99/570884099.db2.gz DKWMRFTYLCZNCT-QGZVFWFLSA-N 2 1 365.477 4.040 40 0 FIABMP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008377014 204328620 /nfs/dbraw/zinc/32/86/20/204328620.db2.gz NESAPRPROGLUIF-UHFFFAOYSA-N 2 1 353.293 4.272 40 0 FIABMP CNc1cc(C[N@@H+](C)CCC2=C(C)CCCC2(C)C)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760759 571327238 /nfs/dbraw/zinc/32/72/38/571327238.db2.gz NFTXFLPREKVANC-LJQANCHMSA-N 2 1 371.573 4.291 40 0 FIABMP COc1ccc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000013992589 206308157 /nfs/dbraw/zinc/30/81/57/206308157.db2.gz VJGPORBCIGWQQZ-UHFFFAOYSA-N 2 1 367.537 4.402 40 0 FIABMP COc1ccc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000013992589 206308163 /nfs/dbraw/zinc/30/81/63/206308163.db2.gz VJGPORBCIGWQQZ-UHFFFAOYSA-N 2 1 367.537 4.402 40 0 FIABMP FC(F)(F)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245613 570480022 /nfs/dbraw/zinc/48/00/22/570480022.db2.gz VYQLLCDAZLDPDV-KDURUIRLSA-N 2 1 360.423 4.269 40 0 FIABMP FC(F)(F)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245613 570480023 /nfs/dbraw/zinc/48/00/23/570480023.db2.gz VYQLLCDAZLDPDV-KDURUIRLSA-N 2 1 360.423 4.269 40 0 FIABMP FC(F)(F)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245613 570480024 /nfs/dbraw/zinc/48/00/24/570480024.db2.gz VYQLLCDAZLDPDV-KDURUIRLSA-N 2 1 360.423 4.269 40 0 FIABMP FC(F)(F)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245613 570480025 /nfs/dbraw/zinc/48/00/25/570480025.db2.gz VYQLLCDAZLDPDV-KDURUIRLSA-N 2 1 360.423 4.269 40 0 FIABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072379075 571187324 /nfs/dbraw/zinc/18/73/24/571187324.db2.gz XZEPMABWLHHPLK-GOSISDBHSA-N 2 1 350.441 4.094 40 0 FIABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072379075 571187326 /nfs/dbraw/zinc/18/73/26/571187326.db2.gz XZEPMABWLHHPLK-GOSISDBHSA-N 2 1 350.441 4.094 40 0 FIABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000585103039 571223113 /nfs/dbraw/zinc/22/31/13/571223113.db2.gz LBWPRDPNJMLMNU-GOSISDBHSA-N 2 1 374.550 4.010 40 0 FIABMP CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OCc1ccccc1Cl ZINC000008254686 204323675 /nfs/dbraw/zinc/32/36/75/204323675.db2.gz NDCYMKBEKBFKAM-UHFFFAOYSA-N 2 1 362.901 4.017 40 0 FIABMP C[NH2+]CCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000008377260 204328385 /nfs/dbraw/zinc/32/83/85/204328385.db2.gz DCFADKVBNMHFCJ-UHFFFAOYSA-N 2 1 353.293 4.272 40 0 FIABMP COc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc1 ZINC000096058323 570474632 /nfs/dbraw/zinc/47/46/32/570474632.db2.gz CKXBSFGJFQZXCA-VABKMULXSA-N 2 1 350.506 4.306 40 0 FIABMP COc1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@H+](C)C(C)C)[C@H]3C2)cc1 ZINC000096058323 570474635 /nfs/dbraw/zinc/47/46/35/570474635.db2.gz CKXBSFGJFQZXCA-VABKMULXSA-N 2 1 350.506 4.306 40 0 FIABMP COc1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cc1 ZINC000096058323 570474638 /nfs/dbraw/zinc/47/46/38/570474638.db2.gz CKXBSFGJFQZXCA-VABKMULXSA-N 2 1 350.506 4.306 40 0 FIABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000019659003 570897301 /nfs/dbraw/zinc/89/73/01/570897301.db2.gz IOOQUEHIILYDRO-MRXNPFEDSA-N 2 1 354.885 4.305 40 0 FIABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000019659003 570897303 /nfs/dbraw/zinc/89/73/03/570897303.db2.gz IOOQUEHIILYDRO-MRXNPFEDSA-N 2 1 354.885 4.305 40 0 FIABMP c1csc(C[NH+]2CCO[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)CC3)c1 ZINC000306123117 571212749 /nfs/dbraw/zinc/21/27/49/571212749.db2.gz AEXCURUVLIIXPW-QFIPXVFZSA-N 2 1 370.562 4.048 40 0 FIABMP c1csc(C[NH+]2CCO[C@@]3(C2)CCC[N@H+](CCc2ccccc2)CC3)c1 ZINC000306123117 571212751 /nfs/dbraw/zinc/21/27/51/571212751.db2.gz AEXCURUVLIIXPW-QFIPXVFZSA-N 2 1 370.562 4.048 40 0 FIABMP c1csc(C[N@@H+]2CCO[C@@]3(C2)CCC[NH+](CCc2ccccc2)CC3)c1 ZINC000306123117 571212753 /nfs/dbraw/zinc/21/27/53/571212753.db2.gz AEXCURUVLIIXPW-QFIPXVFZSA-N 2 1 370.562 4.048 40 0 FIABMP c1csc(C[N@H+]2CCO[C@@]3(C2)CCC[NH+](CCc2ccccc2)CC3)c1 ZINC000306123117 571212754 /nfs/dbraw/zinc/21/27/54/571212754.db2.gz AEXCURUVLIIXPW-QFIPXVFZSA-N 2 1 370.562 4.048 40 0 FIABMP Cc1cc(Nc2ncccn2)cc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)[nH+]1 ZINC000585176603 571237943 /nfs/dbraw/zinc/23/79/43/571237943.db2.gz QHKZROBZWHRQAU-SFHVURJKSA-N 2 1 363.509 4.459 40 0 FIABMP Cc1ccccc1C[N@H+]1CCC[C@H](c2ccc(-c3ccc(N)nc3)cn2)C1 ZINC000019688753 571327172 /nfs/dbraw/zinc/32/71/72/571327172.db2.gz BSALDQHLMFBGTJ-NRFANRHFSA-N 2 1 358.489 4.414 40 0 FIABMP C[N@H+](Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CCC3)C2(C)C)no1)Cc1ccccc1 ZINC000067889951 205029840 /nfs/dbraw/zinc/02/98/40/205029840.db2.gz LIQRZSQRQFAQQY-GCJKJVERSA-N 2 1 367.537 4.406 40 0 biogenic,in-vitro FIABMP C[N@@H+](Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CCC3)C2(C)C)no1)Cc1ccccc1 ZINC000067889951 205029848 /nfs/dbraw/zinc/02/98/48/205029848.db2.gz LIQRZSQRQFAQQY-GCJKJVERSA-N 2 1 367.537 4.406 40 0 biogenic,in-vitro FIABMP Cc1cccc(C[N@@H+]2CCC[C@]3(C[NH+](Cc4cccs4)CCO3)CC2)c1 ZINC000306137749 571040327 /nfs/dbraw/zinc/04/03/27/571040327.db2.gz REZYCWRPAQXHKK-JOCHJYFZSA-N 2 1 370.562 4.314 40 0 FIABMP Cc1cccc(C[N@H+]2CCC[C@]3(C[NH+](Cc4cccs4)CCO3)CC2)c1 ZINC000306137749 571040330 /nfs/dbraw/zinc/04/03/30/571040330.db2.gz REZYCWRPAQXHKK-JOCHJYFZSA-N 2 1 370.562 4.314 40 0 FIABMP Cc1cccc(C[NH+]2CCC[C@]3(C[N@H+](Cc4cccs4)CCO3)CC2)c1 ZINC000306137749 571040335 /nfs/dbraw/zinc/04/03/35/571040335.db2.gz REZYCWRPAQXHKK-JOCHJYFZSA-N 2 1 370.562 4.314 40 0 FIABMP Cc1cccc(C[NH+]2CCC[C@]3(C[N@@H+](Cc4cccs4)CCO3)CC2)c1 ZINC000306137749 571040340 /nfs/dbraw/zinc/04/03/40/571040340.db2.gz REZYCWRPAQXHKK-JOCHJYFZSA-N 2 1 370.562 4.314 40 0 FIABMP CCc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC000096220971 570479681 /nfs/dbraw/zinc/47/96/81/570479681.db2.gz QBITWFANMYAVNL-FQEVSTJZSA-N 2 1 368.521 4.098 40 0 FIABMP C[C@H](CC[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000019455678 570889698 /nfs/dbraw/zinc/88/96/98/570889698.db2.gz PJJFJMCYGGLNNR-XMSQKQJNSA-N 2 1 364.537 4.185 40 0 FIABMP C[C@H](CC[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000019455678 570889699 /nfs/dbraw/zinc/88/96/99/570889699.db2.gz PJJFJMCYGGLNNR-XMSQKQJNSA-N 2 1 364.537 4.185 40 0 FIABMP C[C@H](CC[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000019455678 570889700 /nfs/dbraw/zinc/88/97/00/570889700.db2.gz PJJFJMCYGGLNNR-XMSQKQJNSA-N 2 1 364.537 4.185 40 0 FIABMP Cn1nc(C2CC[NH2+]CC2)cc1C[N@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000019710204 570898950 /nfs/dbraw/zinc/89/89/50/570898950.db2.gz LPDUBKIBQJMSHB-UHFFFAOYSA-N 2 1 374.532 4.186 40 0 FIABMP Cn1nc(C2CC[NH2+]CC2)cc1C[N@@H+](C)Cc1ccc(-c2ccccc2)cc1 ZINC000019710204 570898954 /nfs/dbraw/zinc/89/89/54/570898954.db2.gz LPDUBKIBQJMSHB-UHFFFAOYSA-N 2 1 374.532 4.186 40 0 FIABMP Cc1[nH+]ccn1-c1cccc(C2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000072379082 571187217 /nfs/dbraw/zinc/18/72/17/571187217.db2.gz ZIYNJFHTTYTEPF-UHFFFAOYSA-N 2 1 350.441 4.094 40 0 FIABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585102921 571223258 /nfs/dbraw/zinc/22/32/58/571223258.db2.gz IMAZVZFDDKINMK-GOSISDBHSA-N 2 1 374.550 4.010 40 0 FIABMP COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585103269 571223494 /nfs/dbraw/zinc/22/34/94/571223494.db2.gz NXDVGUZFEIZVRC-LJQANCHMSA-N 2 1 374.550 4.010 40 0 FIABMP Cc1ccc(C[NH+]2CCC3(CC[NH+](Cc4nccs4)CC3)CC2)cc1 ZINC000096047258 570473756 /nfs/dbraw/zinc/47/37/56/570473756.db2.gz RMGSVKKDRWMYIY-UHFFFAOYSA-N 2 1 355.551 4.330 40 0 FIABMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc1C ZINC000096215473 570479597 /nfs/dbraw/zinc/47/95/97/570479597.db2.gz DJBYPZNCSZWCHH-HSZRJFAPSA-N 2 1 356.554 4.018 40 0 FIABMP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1C ZINC000096215473 570479600 /nfs/dbraw/zinc/47/96/00/570479600.db2.gz DJBYPZNCSZWCHH-HSZRJFAPSA-N 2 1 356.554 4.018 40 0 FIABMP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1C ZINC000096215473 570479602 /nfs/dbraw/zinc/47/96/02/570479602.db2.gz DJBYPZNCSZWCHH-HSZRJFAPSA-N 2 1 356.554 4.018 40 0 FIABMP CCOc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)cc1OC ZINC000012252326 570731491 /nfs/dbraw/zinc/73/14/91/570731491.db2.gz OCZWASNPLHCUFR-DETIRCLXSA-N 2 1 372.553 4.180 40 0 FIABMP CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)cc1OC ZINC000012252326 570731492 /nfs/dbraw/zinc/73/14/92/570731492.db2.gz OCZWASNPLHCUFR-DETIRCLXSA-N 2 1 372.553 4.180 40 0 FIABMP CC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccsc1)Cc1cc(C)ccc1O2 ZINC000019527064 570892122 /nfs/dbraw/zinc/89/21/22/570892122.db2.gz NDMZAVMNGXEBNP-UHFFFAOYSA-N 2 1 356.535 4.306 40 0 FIABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1sccc1C)CC2 ZINC000253599069 571138916 /nfs/dbraw/zinc/13/89/16/571138916.db2.gz KPKYAKWTGAVQHA-SFHVURJKSA-N 2 1 374.550 4.010 40 0 FIABMP FC(F)(F)c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000096245614 209143858 /nfs/dbraw/zinc/14/38/58/209143858.db2.gz VYQLLCDAZLDPDV-OALUTQOASA-N 2 1 360.423 4.269 40 0 FIABMP COc1ccc(C[NH+]2CCC3(CC[C@@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC000096051565 209103184 /nfs/dbraw/zinc/10/31/84/209103184.db2.gz QMPRXSCEXKSISL-NRFANRHFSA-N 2 1 354.494 4.165 40 0 FIABMP COc1ccc(OC)c(C[N@@H+]2CCC[C@H](c3[nH+]c(C)n4ccccc34)C2)c1 ZINC000019240666 570883999 /nfs/dbraw/zinc/88/39/99/570883999.db2.gz DKWMRFTYLCZNCT-KRWDZBQOSA-N 2 1 365.477 4.040 40 0 FIABMP COc1ccc(OC)c(C[N@H+]2CCC[C@H](c3[nH+]c(C)n4ccccc34)C2)c1 ZINC000019240666 570884003 /nfs/dbraw/zinc/88/40/03/570884003.db2.gz DKWMRFTYLCZNCT-KRWDZBQOSA-N 2 1 365.477 4.040 40 0 FIABMP Cc1cc(Nc2ncccn2)cc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)[nH+]1 ZINC000585176602 571237907 /nfs/dbraw/zinc/23/79/07/571237907.db2.gz QHKZROBZWHRQAU-GOSISDBHSA-N 2 1 363.509 4.459 40 0 FIABMP CC(C)C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1ccccn1)c1ccccc1O2 ZINC000096242837 209143006 /nfs/dbraw/zinc/14/30/06/209143006.db2.gz YIHLKENHIOSMPK-NRFANRHFSA-N 2 1 365.521 4.186 40 0 FIABMP C/C(=C\c1ccccc1)C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019014412 570879243 /nfs/dbraw/zinc/87/92/43/570879243.db2.gz DHLFXZHUTAZWSO-OVWUPXBPSA-N 2 1 362.521 4.095 40 0 FIABMP C/C(=C\c1ccccc1)C[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019014412 570879246 /nfs/dbraw/zinc/87/92/46/570879246.db2.gz DHLFXZHUTAZWSO-OVWUPXBPSA-N 2 1 362.521 4.095 40 0 FIABMP C/C(=C\c1ccccc1)C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019014412 570879248 /nfs/dbraw/zinc/87/92/48/570879248.db2.gz DHLFXZHUTAZWSO-OVWUPXBPSA-N 2 1 362.521 4.095 40 0 FIABMP C/C(=C\c1ccccc1)C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019014412 570879250 /nfs/dbraw/zinc/87/92/50/570879250.db2.gz DHLFXZHUTAZWSO-OVWUPXBPSA-N 2 1 362.521 4.095 40 0 FIABMP Cc1cccc(C[N@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)n1 ZINC000019236340 570883767 /nfs/dbraw/zinc/88/37/67/570883767.db2.gz XHTUHTMFLQJXRT-UHFFFAOYSA-N 2 1 365.521 4.028 40 0 FIABMP Cc1ccsc1C[N@@H+]1Cc2c(nc(C)n2C(C)C)C2(CC[NH+](C)CC2)C1 ZINC000306141485 571042160 /nfs/dbraw/zinc/04/21/60/571042160.db2.gz VXTJAMWAZKZJNC-UHFFFAOYSA-N 2 1 372.582 4.122 40 0 FIABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072379110 571187655 /nfs/dbraw/zinc/18/76/55/571187655.db2.gz ZLGYHQJKBXREGA-NRFANRHFSA-N 2 1 360.505 4.388 40 0 FIABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000072379110 571187657 /nfs/dbraw/zinc/18/76/57/571187657.db2.gz ZLGYHQJKBXREGA-NRFANRHFSA-N 2 1 360.505 4.388 40 0 FIABMP CC(C)C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1ccccn1)c1ccccc1O2 ZINC000096242838 209143454 /nfs/dbraw/zinc/14/34/54/209143454.db2.gz YIHLKENHIOSMPK-OAQYLSRUSA-N 2 1 365.521 4.186 40 0 FIABMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc1C ZINC000096215469 209135487 /nfs/dbraw/zinc/13/54/87/209135487.db2.gz DJBYPZNCSZWCHH-QHCPKHFHSA-N 2 1 356.554 4.018 40 0 FIABMP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)cc1C ZINC000096215469 209135490 /nfs/dbraw/zinc/13/54/90/209135490.db2.gz DJBYPZNCSZWCHH-QHCPKHFHSA-N 2 1 356.554 4.018 40 0 FIABMP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1C ZINC000096215469 209135492 /nfs/dbraw/zinc/13/54/92/209135492.db2.gz DJBYPZNCSZWCHH-QHCPKHFHSA-N 2 1 356.554 4.018 40 0 FIABMP CCOc1cc(C[NH2+]CCC[NH2+]C)ccc1OCc1ccc(Cl)cc1 ZINC000008254523 207226836 /nfs/dbraw/zinc/22/68/36/207226836.db2.gz UECZYKDQWNOVSJ-UHFFFAOYSA-N 2 1 362.901 4.017 40 0 FIABMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)c1 ZINC000096046634 209099787 /nfs/dbraw/zinc/09/97/87/209099787.db2.gz RXWXRCCKQDEWQV-UHFFFAOYSA-N 2 1 356.535 4.245 40 0 FIABMP C[C@@H](C[N@@H+](C)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)c1ccccc1 ZINC000019455965 570889681 /nfs/dbraw/zinc/88/96/81/570889681.db2.gz PHSLQTAGDDKCRO-KRWDZBQOSA-N 2 1 362.521 4.265 40 0 FIABMP C[N@@H+](C[C@H]1CC=CCC1)C1CCC2(CC1)C[NH+](C)Cc1ccccc1O2 ZINC000257324752 571162353 /nfs/dbraw/zinc/16/23/53/571162353.db2.gz WPZLWBUBYGOAMQ-YGWXTMFKSA-N 2 1 354.538 4.480 40 0 FIABMP C[NH+](C[C@H]1CC=CCC1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000257324752 571162355 /nfs/dbraw/zinc/16/23/55/571162355.db2.gz WPZLWBUBYGOAMQ-YGWXTMFKSA-N 2 1 354.538 4.480 40 0 FIABMP C[NH+](C[C@H]1CC=CCC1)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000257324752 571162357 /nfs/dbraw/zinc/16/23/57/571162357.db2.gz WPZLWBUBYGOAMQ-YGWXTMFKSA-N 2 1 354.538 4.480 40 0 FIABMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096220948 209137984 /nfs/dbraw/zinc/13/79/84/209137984.db2.gz TUYMCDZNQIQHEL-IBGZPJMESA-N 2 1 356.535 4.004 40 0 FIABMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096220951 209138078 /nfs/dbraw/zinc/13/80/78/209138078.db2.gz KRGVMSGYKWBINW-HXUWFJFHSA-N 2 1 356.535 4.004 40 0 FIABMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](Cc3cc(-c4ccc(F)cc4)on3)C2(C)C)CC1 ZINC000067889830 207213555 /nfs/dbraw/zinc/21/35/55/207213555.db2.gz HTMARMHTKJFYOP-IERDGZPVSA-N 2 1 371.500 4.122 40 0 biogenic,in-vitro FIABMP COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013756204 570838454 /nfs/dbraw/zinc/83/84/54/570838454.db2.gz RTMYNEJVZJZFHI-MZLICYQSSA-N 2 1 366.549 4.473 40 0 FIABMP C[N@@H+](C[C@@H]1CC=CCC1)C1CCC2(CC1)C[NH+](C)Cc1ccccc1O2 ZINC000257324751 571162413 /nfs/dbraw/zinc/16/24/13/571162413.db2.gz WPZLWBUBYGOAMQ-VWRAKTAISA-N 2 1 354.538 4.480 40 0 FIABMP C[NH+](C[C@@H]1CC=CCC1)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2 ZINC000257324751 571162415 /nfs/dbraw/zinc/16/24/15/571162415.db2.gz WPZLWBUBYGOAMQ-VWRAKTAISA-N 2 1 354.538 4.480 40 0 FIABMP C[NH+](C[C@@H]1CC=CCC1)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2 ZINC000257324751 571162416 /nfs/dbraw/zinc/16/24/16/571162416.db2.gz WPZLWBUBYGOAMQ-VWRAKTAISA-N 2 1 354.538 4.480 40 0 FIABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)n1 ZINC000072379109 571187570 /nfs/dbraw/zinc/18/75/70/571187570.db2.gz ZLGYHQJKBXREGA-OAQYLSRUSA-N 2 1 360.505 4.388 40 0 FIABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000072379109 571187572 /nfs/dbraw/zinc/18/75/72/571187572.db2.gz ZLGYHQJKBXREGA-OAQYLSRUSA-N 2 1 360.505 4.388 40 0 FIABMP Cc1[nH+]cc(CN(Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)n1C ZINC000012116735 207339925 /nfs/dbraw/zinc/33/99/25/207339925.db2.gz APUQQUBUCAQZHX-UHFFFAOYSA-N 2 1 372.532 4.179 40 0 FIABMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccc(C)o4)C3)CC2)c1 ZINC000096046636 209100605 /nfs/dbraw/zinc/10/06/05/209100605.db2.gz LREKIIICJHNUIR-UHFFFAOYSA-N 2 1 354.494 4.085 40 0 FIABMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(Cl)cc1)Cc1ccccc1O2 ZINC000072394171 571190271 /nfs/dbraw/zinc/19/02/71/571190271.db2.gz AYDNCGDLLFDVBH-UHFFFAOYSA-N 2 1 356.897 4.199 40 0 FIABMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccccc1O2 ZINC000072394171 571190272 /nfs/dbraw/zinc/19/02/72/571190272.db2.gz AYDNCGDLLFDVBH-UHFFFAOYSA-N 2 1 356.897 4.199 40 0 FIABMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(Cl)c1)Cc1ccccc1O2 ZINC000072394173 571190386 /nfs/dbraw/zinc/19/03/86/571190386.db2.gz HQCSVKOPAULEKW-UHFFFAOYSA-N 2 1 356.897 4.199 40 0 FIABMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(Cl)c1)Cc1ccccc1O2 ZINC000072394173 571190388 /nfs/dbraw/zinc/19/03/88/571190388.db2.gz HQCSVKOPAULEKW-UHFFFAOYSA-N 2 1 356.897 4.199 40 0 FIABMP Cc1ccccc1C[N@H+]1CCC[C@@H](c2ccc(-c3ccc(N)nc3)cn2)C1 ZINC000019688751 571327158 /nfs/dbraw/zinc/32/71/58/571327158.db2.gz BSALDQHLMFBGTJ-OAQYLSRUSA-N 2 1 358.489 4.414 40 0 FIABMP CN(Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@H]1CC[N@@H+](C)C1 ZINC000019460843 220260585 /nfs/dbraw/zinc/26/05/85/220260585.db2.gz FDLPYMZCFDMIMY-INIZCTEOSA-N 2 1 361.599 4.066 40 0 FIABMP C[N@@H+](Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@H]1CC[NH+](C)C1 ZINC000019460843 220260589 /nfs/dbraw/zinc/26/05/89/220260589.db2.gz FDLPYMZCFDMIMY-INIZCTEOSA-N 3 1 361.599 4.066 40 0 FIABMP C[N@H+](Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@H]1CC[NH+](C)C1 ZINC000019460843 220260597 /nfs/dbraw/zinc/26/05/97/220260597.db2.gz FDLPYMZCFDMIMY-INIZCTEOSA-N 3 1 361.599 4.066 40 0 FIABMP C[NH+](Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@H]1CC[N@H+](C)C1 ZINC000019460843 220260604 /nfs/dbraw/zinc/26/06/04/220260604.db2.gz FDLPYMZCFDMIMY-INIZCTEOSA-N 3 1 361.599 4.066 40 0 FIABMP C[NH+](Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@H]1CC[N@@H+](C)C1 ZINC000019460843 220260610 /nfs/dbraw/zinc/26/06/10/220260610.db2.gz FDLPYMZCFDMIMY-INIZCTEOSA-N 3 1 361.599 4.066 40 0 FIABMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Cl)c1OCc1ccccc1 ZINC000008254065 207226481 /nfs/dbraw/zinc/22/64/81/207226481.db2.gz LWDJRXUXXMZHKL-UHFFFAOYSA-N 2 1 362.901 4.017 40 0 FIABMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000019659005 570897344 /nfs/dbraw/zinc/89/73/44/570897344.db2.gz IOOQUEHIILYDRO-INIZCTEOSA-N 2 1 354.885 4.305 40 0 FIABMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2ccc3cccc(Cl)c3n2)C1 ZINC000019659005 570897347 /nfs/dbraw/zinc/89/73/47/570897347.db2.gz IOOQUEHIILYDRO-INIZCTEOSA-N 2 1 354.885 4.305 40 0 FIABMP COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000585103041 571223293 /nfs/dbraw/zinc/22/32/93/571223293.db2.gz LBWPRDPNJMLMNU-SFHVURJKSA-N 2 1 374.550 4.010 40 0 FIABMP COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585103268 571223361 /nfs/dbraw/zinc/22/33/61/571223361.db2.gz NXDVGUZFEIZVRC-IBGZPJMESA-N 2 1 374.550 4.010 40 0 FIABMP C[C@H](CC[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000248080455 571291094 /nfs/dbraw/zinc/29/10/94/571291094.db2.gz PJJFJMCYGGLNNR-GCJKJVERSA-N 2 1 364.537 4.185 40 0 FIABMP C[C@H](CC[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000248080455 571291095 /nfs/dbraw/zinc/29/10/95/571291095.db2.gz PJJFJMCYGGLNNR-GCJKJVERSA-N 2 1 364.537 4.185 40 0 FIABMP C[C@H](CC[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000248080455 571291096 /nfs/dbraw/zinc/29/10/96/571291096.db2.gz PJJFJMCYGGLNNR-GCJKJVERSA-N 2 1 364.537 4.185 40 0 FIABMP Cc1cccc(C[N@H+]2CCC[C@@]3(CN(Cc4cccs4)CCO3)CC2)c1 ZINC000306137750 210055490 /nfs/dbraw/zinc/05/54/90/210055490.db2.gz REZYCWRPAQXHKK-QFIPXVFZSA-N 2 1 370.562 4.314 40 0 FIABMP Cc1cccc(C[N@@H+]2CCC[C@@]3(C[NH+](Cc4cccs4)CCO3)CC2)c1 ZINC000306137750 210055494 /nfs/dbraw/zinc/05/54/94/210055494.db2.gz REZYCWRPAQXHKK-QFIPXVFZSA-N 2 1 370.562 4.314 40 0 FIABMP Cc1cccc(C[N@H+]2CCC[C@@]3(C[NH+](Cc4cccs4)CCO3)CC2)c1 ZINC000306137750 210055498 /nfs/dbraw/zinc/05/54/98/210055498.db2.gz REZYCWRPAQXHKK-QFIPXVFZSA-N 2 1 370.562 4.314 40 0 FIABMP Cc1cccc(C[NH+]2CCC[C@@]3(C[N@H+](Cc4cccs4)CCO3)CC2)c1 ZINC000306137750 210055503 /nfs/dbraw/zinc/05/55/03/210055503.db2.gz REZYCWRPAQXHKK-QFIPXVFZSA-N 2 1 370.562 4.314 40 0 FIABMP Cc1cccc(C[NH+]2CCC[C@@]3(C[N@@H+](Cc4cccs4)CCO3)CC2)c1 ZINC000306137750 210055507 /nfs/dbraw/zinc/05/55/07/210055507.db2.gz REZYCWRPAQXHKK-QFIPXVFZSA-N 2 1 370.562 4.314 40 0 FIABMP Cc1cccc(C[N@H+](C)C2CCC3(CC2)C[NH+](C)Cc2ccccc2O3)n1 ZINC000019236098 211209409 /nfs/dbraw/zinc/20/94/09/211209409.db2.gz KUNRLDDREOHPIY-UHFFFAOYSA-N 2 1 365.521 4.028 40 0 FIABMP Cc1cccc(C[NH+](C)C2CCC3(CC2)C[N@H+](C)Cc2ccccc2O3)n1 ZINC000019236098 211209414 /nfs/dbraw/zinc/20/94/14/211209414.db2.gz KUNRLDDREOHPIY-UHFFFAOYSA-N 2 1 365.521 4.028 40 0 FIABMP Cc1cccc(C[NH+](C)C2CCC3(CC2)C[N@@H+](C)Cc2ccccc2O3)n1 ZINC000019236098 211209419 /nfs/dbraw/zinc/20/94/19/211209419.db2.gz KUNRLDDREOHPIY-UHFFFAOYSA-N 2 1 365.521 4.028 40 0 FIABMP COc1ccc(C[NH+]2CCC3(CC[C@H]3[N@@H+](C)Cc3ccco3)CC2)cc1 ZINC000096051564 222003213 /nfs/dbraw/zinc/00/32/13/222003213.db2.gz QMPRXSCEXKSISL-OAQYLSRUSA-N 2 1 354.494 4.165 40 0 FIABMP CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)o1 ZINC000096220973 222085693 /nfs/dbraw/zinc/08/56/93/222085693.db2.gz QBITWFANMYAVNL-HXUWFJFHSA-N 2 1 368.521 4.098 40 0 FIABMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2 ZINC000096220946 222086053 /nfs/dbraw/zinc/08/60/53/222086053.db2.gz TUYMCDZNQIQHEL-LJQANCHMSA-N 2 1 356.535 4.004 40 0 FIABMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000036752911 571081844 /nfs/dbraw/zinc/08/18/44/571081844.db2.gz DPBAZJNSGLGGGH-FQEVSTJZSA-N 2 1 352.526 4.094 40 0 FIABMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000036752911 571081846 /nfs/dbraw/zinc/08/18/46/571081846.db2.gz DPBAZJNSGLGGGH-FQEVSTJZSA-N 2 1 352.526 4.094 40 0 FIABMP C[C@@H](CC[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000019455676 211224547 /nfs/dbraw/zinc/22/45/47/211224547.db2.gz PJJFJMCYGGLNNR-PGRDOPGGSA-N 2 1 364.537 4.185 40 0 FIABMP C[C@@H](CC[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000019455676 211224550 /nfs/dbraw/zinc/22/45/50/211224550.db2.gz PJJFJMCYGGLNNR-PGRDOPGGSA-N 2 1 364.537 4.185 40 0 FIABMP C[C@@H](CC[NH+]1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000019455676 211224553 /nfs/dbraw/zinc/22/45/53/211224553.db2.gz PJJFJMCYGGLNNR-PGRDOPGGSA-N 2 1 364.537 4.185 40 0 FIABMP Cc1ccc(C[N@H+]2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](C)CC3)C2)s1 ZINC000306143346 210057056 /nfs/dbraw/zinc/05/70/56/210057056.db2.gz XZWAEMKINJUHQX-UHFFFAOYSA-N 2 1 372.582 4.122 40 0 FIABMP Cc1ccc(C[N@@H+]2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](C)CC3)C2)s1 ZINC000306143346 210057061 /nfs/dbraw/zinc/05/70/61/210057061.db2.gz XZWAEMKINJUHQX-UHFFFAOYSA-N 2 1 372.582 4.122 40 0 FIABMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2 ZINC000096220953 222085373 /nfs/dbraw/zinc/08/53/73/222085373.db2.gz KRGVMSGYKWBINW-FQEVSTJZSA-N 2 1 356.535 4.004 40 0 FIABMP C/C(=C\c1ccccc1)C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019014410 211198936 /nfs/dbraw/zinc/19/89/36/211198936.db2.gz DHLFXZHUTAZWSO-RRXSNJIPSA-N 2 1 362.521 4.095 40 0 FIABMP C/C(=C\c1ccccc1)C[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019014410 211198941 /nfs/dbraw/zinc/19/89/41/211198941.db2.gz DHLFXZHUTAZWSO-RRXSNJIPSA-N 2 1 362.521 4.095 40 0 FIABMP C/C(=C\c1ccccc1)C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019014410 211198945 /nfs/dbraw/zinc/19/89/45/211198945.db2.gz DHLFXZHUTAZWSO-RRXSNJIPSA-N 2 1 362.521 4.095 40 0 FIABMP C/C(=C\c1ccccc1)C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2 ZINC000019014410 211198953 /nfs/dbraw/zinc/19/89/53/211198953.db2.gz DHLFXZHUTAZWSO-RRXSNJIPSA-N 2 1 362.521 4.095 40 0 FIABMP COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785492 570669331 /nfs/dbraw/zinc/66/93/31/570669331.db2.gz RTMYNEJVZJZFHI-JXALWOEJSA-N 2 1 366.549 4.473 40 0 FIABMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1Cl)Cc1ccccc1O2 ZINC000072394172 571190319 /nfs/dbraw/zinc/19/03/19/571190319.db2.gz NYNREPQCUYQTHW-UHFFFAOYSA-N 2 1 356.897 4.199 40 0 FIABMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1Cl)Cc1ccccc1O2 ZINC000072394172 571190321 /nfs/dbraw/zinc/19/03/21/571190321.db2.gz NYNREPQCUYQTHW-UHFFFAOYSA-N 2 1 356.897 4.199 40 0 FIABMP COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4nccs4)CC3)CC2)c1 ZINC000096047243 570473242 /nfs/dbraw/zinc/47/32/42/570473242.db2.gz YBKQPNZJIDJZEE-UHFFFAOYSA-N 2 1 371.550 4.030 40 0 FIABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072379076 571187368 /nfs/dbraw/zinc/18/73/68/571187368.db2.gz XZEPMABWLHHPLK-SFHVURJKSA-N 2 1 350.441 4.094 40 0 FIABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072379076 571187371 /nfs/dbraw/zinc/18/73/71/571187371.db2.gz XZEPMABWLHHPLK-SFHVURJKSA-N 2 1 350.441 4.094 40 0 FIABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000585102922 571223221 /nfs/dbraw/zinc/22/32/21/571223221.db2.gz IMAZVZFDDKINMK-SFHVURJKSA-N 2 1 374.550 4.010 40 0 FIABMP C[NH+](C)C1CCC2(CC1)C[N@@H+](Cc1cccc(F)c1)Cc1ccccc1O2 ZINC000019583953 211238026 /nfs/dbraw/zinc/23/80/26/211238026.db2.gz USQKGZBJTNSUCK-UHFFFAOYSA-N 2 1 368.496 4.463 40 0 FIABMP Cc1[nH+]ccn1-c1cccc(C2CC[NH+](CCCc3ccccc3)CC2)n1 ZINC000072379114 571187714 /nfs/dbraw/zinc/18/77/14/571187714.db2.gz DFANHGYZLCAMSF-UHFFFAOYSA-N 2 1 360.505 4.388 40 0 FIABMP COc1ccccc1[C@@H](CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccco1 ZINC000013804702 220095552 /nfs/dbraw/zinc/09/55/52/220095552.db2.gz IRQFLDPUVMQMKX-CUDHKJQZSA-N 2 1 356.510 4.129 40 0 FIABMP C[NH+](C)C1CCC2(CC1)C[N@@H+](Cc1ccccc1)Cc1ccccc1O2 ZINC000019584035 220275242 /nfs/dbraw/zinc/27/52/42/220275242.db2.gz AYWMNOJFUJEXEN-UHFFFAOYSA-N 2 1 350.506 4.324 40 0 FIABMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccsc4)C3)CC2)c1 ZINC000096046635 570473071 /nfs/dbraw/zinc/47/30/71/570473071.db2.gz GEIVRMGSIPNTKW-UHFFFAOYSA-N 2 1 356.535 4.245 40 0 FIABMP CNc1cc(C[N@@H+](C)CCC2=C(C)CCCC2(C)C)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760756 571327220 /nfs/dbraw/zinc/32/72/20/571327220.db2.gz NFTXFLPREKVANC-IBGZPJMESA-N 2 1 371.573 4.291 40 0 FIABMP Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cccc(C)c1)CC21CC[NH+](C)CC1 ZINC000306125862 223107256 /nfs/dbraw/zinc/10/72/56/223107256.db2.gz DDYZIOCTXFNODW-UHFFFAOYSA-N 2 1 366.553 4.060 40 0 FIABMP COc1ccccc1[C@@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccco1 ZINC000013804696 220095721 /nfs/dbraw/zinc/09/57/21/220095721.db2.gz IRQFLDPUVMQMKX-ONCXSQPRSA-N 2 1 356.510 4.129 40 0 FIABMP CCCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH+](C)Cc2ccccc2)[C@H]1O ZINC000257285456 528444106 /nfs/dbraw/zinc/44/41/06/528444106.db2.gz PHDBJEUNUJQNQZ-WXFUMESZSA-N 2 1 366.549 4.313 40 0 FIABMP CCCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H]([NH+](C)Cc2ccccc2)[C@H]1O ZINC000257285456 528444112 /nfs/dbraw/zinc/44/41/12/528444112.db2.gz PHDBJEUNUJQNQZ-WXFUMESZSA-N 2 1 366.549 4.313 40 0 FIABMP CCCC[NH+](Cc1ccccc1)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)[C@H]1O ZINC000257285456 528444120 /nfs/dbraw/zinc/44/41/20/528444120.db2.gz PHDBJEUNUJQNQZ-WXFUMESZSA-N 2 1 366.549 4.313 40 0 FIABMP CCCC[NH+](Cc1ccccc1)[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2)[C@H]1O ZINC000257285456 528444123 /nfs/dbraw/zinc/44/41/23/528444123.db2.gz PHDBJEUNUJQNQZ-WXFUMESZSA-N 2 1 366.549 4.313 40 0 FIABMP Cc1[nH+]cc(CN(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)n1C ZINC000012147057 570722650 /nfs/dbraw/zinc/72/26/50/570722650.db2.gz OZVLFGJYZQYZDG-UHFFFAOYSA-N 2 1 372.532 4.179 40 0 FIABMP c1csc(C[NH+]2CCO[C@]3(C2)CCC[N@@H+](CCc2ccccc2)CC3)c1 ZINC000306123116 571212789 /nfs/dbraw/zinc/21/27/89/571212789.db2.gz AEXCURUVLIIXPW-JOCHJYFZSA-N 2 1 370.562 4.048 40 0 FIABMP c1csc(C[NH+]2CCO[C@]3(C2)CCC[N@H+](CCc2ccccc2)CC3)c1 ZINC000306123116 571212791 /nfs/dbraw/zinc/21/27/91/571212791.db2.gz AEXCURUVLIIXPW-JOCHJYFZSA-N 2 1 370.562 4.048 40 0 FIABMP c1csc(C[N@@H+]2CCO[C@]3(C2)CCC[NH+](CCc2ccccc2)CC3)c1 ZINC000306123116 571212792 /nfs/dbraw/zinc/21/27/92/571212792.db2.gz AEXCURUVLIIXPW-JOCHJYFZSA-N 2 1 370.562 4.048 40 0 FIABMP c1csc(C[N@H+]2CCO[C@]3(C2)CCC[NH+](CCc2ccccc2)CC3)c1 ZINC000306123116 571212793 /nfs/dbraw/zinc/21/27/93/571212793.db2.gz AEXCURUVLIIXPW-JOCHJYFZSA-N 2 1 370.562 4.048 40 0 FIABMP CN(Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@@H]1CC[N@@H+](C)C1 ZINC000019460841 220261294 /nfs/dbraw/zinc/26/12/94/220261294.db2.gz FDLPYMZCFDMIMY-MRXNPFEDSA-N 2 1 361.599 4.066 40 0 FIABMP C[N@@H+](Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@@H]1CC[NH+](C)C1 ZINC000019460841 220261298 /nfs/dbraw/zinc/26/12/98/220261298.db2.gz FDLPYMZCFDMIMY-MRXNPFEDSA-N 3 1 361.599 4.066 40 0 FIABMP C[N@H+](Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@@H]1CC[NH+](C)C1 ZINC000019460841 220261303 /nfs/dbraw/zinc/26/13/03/220261303.db2.gz FDLPYMZCFDMIMY-MRXNPFEDSA-N 3 1 361.599 4.066 40 0 FIABMP C[NH+](Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@@H]1CC[N@H+](C)C1 ZINC000019460841 220261305 /nfs/dbraw/zinc/26/13/05/220261305.db2.gz FDLPYMZCFDMIMY-MRXNPFEDSA-N 3 1 361.599 4.066 40 0 FIABMP C[NH+](Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@@H]1CC[N@@H+](C)C1 ZINC000019460841 220261311 /nfs/dbraw/zinc/26/13/11/220261311.db2.gz FDLPYMZCFDMIMY-MRXNPFEDSA-N 3 1 361.599 4.066 40 0 FIABMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccs4)C3)CC2)cc1 ZINC000096046530 221997046 /nfs/dbraw/zinc/99/70/46/221997046.db2.gz NQPVYIQEOLVJAL-UHFFFAOYSA-N 2 1 356.535 4.245 40 0 FIABMP CC(C)(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2)C[NH+]1CCCCC1 ZINC000012293131 570732792 /nfs/dbraw/zinc/73/27/92/570732792.db2.gz HUVFVNHPKPNYQK-LIMIJEPZSA-N 2 1 374.544 4.152 40 0 FIABMP CC(C)(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2)C[NH+]1CCCCC1 ZINC000012293131 570732793 /nfs/dbraw/zinc/73/27/93/570732793.db2.gz HUVFVNHPKPNYQK-LIMIJEPZSA-N 2 1 374.544 4.152 40 0 FIABMP COc1ccccc1[C@H](CC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccco1 ZINC000005478519 570960611 /nfs/dbraw/zinc/96/06/11/570960611.db2.gz IRQFLDPUVMQMKX-UMGGQSCQSA-N 2 1 356.510 4.129 40 0 FIABMP Cc1nc2c(n1C(C)C)C[N@@H+](C1CCC1)CC21CC[NH+](CC(C)C)CC1 ZINC000306144516 223114682 /nfs/dbraw/zinc/11/46/82/223114682.db2.gz ZHMBPVYTPBDQMW-UHFFFAOYSA-N 2 1 358.574 4.130 40 0 FIABMP COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013756200 220093800 /nfs/dbraw/zinc/09/38/00/220093800.db2.gz RTMYNEJVZJZFHI-DCLXLUIPSA-N 2 1 366.549 4.473 40 0 FIABMP COc1ccccc1[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccco1 ZINC000013804705 220095838 /nfs/dbraw/zinc/09/58/38/220095838.db2.gz IRQFLDPUVMQMKX-HNJRGHQBSA-N 2 1 356.510 4.129 40 0 FIABMP COc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCc1cccs1 ZINC000007539914 263351843 /nfs/dbraw/zinc/35/18/43/263351843.db2.gz PEHMQBFCXYUCQT-UHFFFAOYSA-N 2 1 368.930 4.030 40 0 FIABMP COc1ccc(C[NH+]2CCC3(CC[NH+](Cc4nccs4)CC3)CC2)cc1 ZINC000096047218 570472922 /nfs/dbraw/zinc/47/29/22/570472922.db2.gz LTWIDCPOJHWSFT-UHFFFAOYSA-N 2 1 371.550 4.030 40 0 FIABMP COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004785491 570669393 /nfs/dbraw/zinc/66/93/93/570669393.db2.gz RTMYNEJVZJZFHI-YOSAUDMPSA-N 2 1 366.549 4.473 40 0 FIABMP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008376991 219861261 /nfs/dbraw/zinc/86/12/61/219861261.db2.gz GRFSJEDWMADSMT-UHFFFAOYSA-N 2 1 353.293 4.272 40 0 FIABMP C[C@H](C[N@@H+](C)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)c1ccccc1 ZINC000019455967 220257495 /nfs/dbraw/zinc/25/74/95/220257495.db2.gz PHSLQTAGDDKCRO-QGZVFWFLSA-N 2 1 362.521 4.265 40 0 FIABMP FC(F)(F)c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000096245615 222099704 /nfs/dbraw/zinc/09/97/04/222099704.db2.gz VYQLLCDAZLDPDV-RTBURBONSA-N 2 1 360.423 4.269 40 0 FIABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000036752908 571081854 /nfs/dbraw/zinc/08/18/54/571081854.db2.gz DPBAZJNSGLGGGH-HXUWFJFHSA-N 2 1 352.526 4.094 40 0 FIABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000036752908 571081855 /nfs/dbraw/zinc/08/18/55/571081855.db2.gz DPBAZJNSGLGGGH-HXUWFJFHSA-N 2 1 352.526 4.094 40 0 FIABMP COC[C@H]1C[N@@H+](Cc2ccco2)CC12CC[NH+](Cc1sccc1C)CC2 ZINC000253599067 571138781 /nfs/dbraw/zinc/13/87/81/571138781.db2.gz KPKYAKWTGAVQHA-GOSISDBHSA-N 2 1 374.550 4.010 40 0 FIABMP Cc1ccc2c(c1)C[N@@H+](Cc1cc(F)cc(F)c1)CC1(CC[NH+](C)CC1)O2 ZINC000072394186 571190265 /nfs/dbraw/zinc/19/02/65/571190265.db2.gz GIEBTAVZHPYROS-UHFFFAOYSA-N 2 1 372.459 4.132 40 0 FIABMP Cc1ccc2c(c1)C[N@H+](Cc1cc(F)cc(F)c1)CC1(CC[NH+](C)CC1)O2 ZINC000072394186 571190266 /nfs/dbraw/zinc/19/02/66/571190266.db2.gz GIEBTAVZHPYROS-UHFFFAOYSA-N 2 1 372.459 4.132 40 0 FIABMP Fc1ccc(C[NH+]2CCC3(CC[NH+](Cc4nccs4)CC3)CC2)cc1 ZINC000096047217 222000299 /nfs/dbraw/zinc/00/02/99/222000299.db2.gz UTENQPMMDXTSPQ-UHFFFAOYSA-N 2 1 359.514 4.160 40 0 FIABMP Cc1cc(Nc2cnccn2)cc(C2CC[NH+](CCc3ccccc3)CC2)[nH+]1 ZINC000257266325 534006220 /nfs/dbraw/zinc/00/62/20/534006220.db2.gz MCNPNCLNBQCVNH-UHFFFAOYSA-N 2 1 373.504 4.346 40 0 FIABMP COc1ccccc1[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccco1 ZINC000005478518 570960594 /nfs/dbraw/zinc/96/05/94/570960594.db2.gz IRQFLDPUVMQMKX-JYBIWHBTSA-N 2 1 356.510 4.129 40 0 FIABMP Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1)CC1(CC[NH+](C)CC1)O2 ZINC000072394185 571190407 /nfs/dbraw/zinc/19/04/07/571190407.db2.gz RCBAILCORSJBOJ-UHFFFAOYSA-N 2 1 372.459 4.132 40 0 FIABMP Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)c(F)c1)CC1(CC[NH+](C)CC1)O2 ZINC000072394185 571190410 /nfs/dbraw/zinc/19/04/10/571190410.db2.gz RCBAILCORSJBOJ-UHFFFAOYSA-N 2 1 372.459 4.132 40 0 FIABMP Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2nccs2)CC3)s1 ZINC000096047216 570472904 /nfs/dbraw/zinc/47/29/04/570472904.db2.gz WDUAVXQZIXNGNR-UHFFFAOYSA-N 2 1 361.580 4.391 40 0 FIABMP Cc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](CC2CC2)Cc2ccccc23)n1 ZINC000096242615 222096608 /nfs/dbraw/zinc/09/66/08/222096608.db2.gz NXNOWYPGFFMQOC-UHFFFAOYSA-N 2 1 361.533 4.149 40 0 FIABMP CC(C)CC[N@H+]1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000096242478 222096947 /nfs/dbraw/zinc/09/69/47/222096947.db2.gz DVIAODMDSWJPJR-UHFFFAOYSA-N 2 1 356.554 4.061 40 0 FIABMP C[NH2+]CCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008376925 570680673 /nfs/dbraw/zinc/68/06/73/570680673.db2.gz QBFWBWBPFYJOJI-UHFFFAOYSA-N 2 1 352.453 4.257 40 0 FIABMP C[C@@H](CC[N@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1 ZINC000248080453 571291074 /nfs/dbraw/zinc/29/10/74/571291074.db2.gz PJJFJMCYGGLNNR-AVRDEDQJSA-N 2 1 364.537 4.185 40 0 FIABMP C[C@@H](CC[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2)c1ccccc1 ZINC000248080453 571291075 /nfs/dbraw/zinc/29/10/75/571291075.db2.gz PJJFJMCYGGLNNR-AVRDEDQJSA-N 2 1 364.537 4.185 40 0 FIABMP C[C@@H](CC[NH+]1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2)c1ccccc1 ZINC000248080453 571291076 /nfs/dbraw/zinc/29/10/76/571291076.db2.gz PJJFJMCYGGLNNR-AVRDEDQJSA-N 2 1 364.537 4.185 40 0 FIABMP