smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(/C(=C/c2ccc(Cl)cc2Cl)Cn2cc[nH+]c2)cc1 ZINC000000608163 203916805 /nfs/dbraw/zinc/91/68/05/203916805.db2.gz WNGFKUOERJDDIY-OQLLNIDSSA-N 1 2 363.675 6.084 10 0 in-man FKAELO CCCCCC[C@@H](Cn1cc[nH+]c1)OCc1ccc(Cl)cc1Cl ZINC000005114632 204193197 /nfs/dbraw/zinc/19/31/97/204193197.db2.gz HFYRTTCDKMDINH-KRWDZBQOSA-N 1 2 355.309 5.746 10 0 FKAELO Brc1ccc2oc([C@@H](c3ccccc3)n3cc[nH+]c3)cc2c1 ZINC000005117400 210229735 /nfs/dbraw/zinc/22/97/35/210229735.db2.gz NHZMMYPUEMYBRW-GOSISDBHSA-N 1 2 353.219 5.030 10 0 FKAELO C[C@@H]1CCCC[N@H+]1Cn1nc(-c2ccc(Cl)cc2Cl)oc1=S ZINC000005722011 207113451 /nfs/dbraw/zinc/11/34/51/207113451.db2.gz WLQRGTTZHRVVPD-SNVBAGLBSA-N 1 2 358.294 5.011 10 0 FKAELO C[C@@H]1CCCC[N@@H+]1Cn1nc(-c2ccc(Cl)cc2Cl)oc1=S ZINC000005722011 207113447 /nfs/dbraw/zinc/11/34/47/207113447.db2.gz WLQRGTTZHRVVPD-SNVBAGLBSA-N 1 2 358.294 5.011 10 0 FKAELO C[C@H]1CCCC[N@H+]1Cn1nc(-c2ccc(Cl)cc2Cl)oc1=S ZINC000005723345 204221828 /nfs/dbraw/zinc/22/18/28/204221828.db2.gz WLQRGTTZHRVVPD-JTQLQIEISA-N 1 2 358.294 5.011 10 0 FKAELO C[C@H]1CCCC[N@@H+]1Cn1nc(-c2ccc(Cl)cc2Cl)oc1=S ZINC000005723345 204221825 /nfs/dbraw/zinc/22/18/25/204221825.db2.gz WLQRGTTZHRVVPD-JTQLQIEISA-N 1 2 358.294 5.011 10 0 FKAELO Clc1ccc(-c2c[nH]cc2[C@H](c2ccc(Cl)cc2)n2cc[nH+]c2)cc1 ZINC000005974193 204232210 /nfs/dbraw/zinc/23/22/10/204232210.db2.gz DBDGQVVQYMKPAS-FQEVSTJZSA-N 1 2 368.267 5.823 10 0 FKAELO Fc1ccc([C@H](c2c[nH]cc2-c2ccccc2Cl)n2cc[nH+]c2)cc1 ZINC000005974400 210232095 /nfs/dbraw/zinc/23/20/95/210232095.db2.gz WFTCMOKXIZPGMX-HXUWFJFHSA-N 1 2 351.812 5.308 10 0 FKAELO Clc1ccc(-c2c[nH]cc2[C@H](c2ccccc2)n2cc[nH+]c2)c(Cl)c1 ZINC000005974672 204232289 /nfs/dbraw/zinc/23/22/89/204232289.db2.gz YVZNNBJVUUZYEA-FQEVSTJZSA-N 1 2 368.267 5.823 10 0 FKAELO Clc1ccc(-c2c[nH]cc2[C@@H](c2ccccc2)n2cc[nH+]c2)c(Cl)c1 ZINC000005974695 207125399 /nfs/dbraw/zinc/12/53/99/207125399.db2.gz YVZNNBJVUUZYEA-HXUWFJFHSA-N 1 2 368.267 5.823 10 0 FKAELO Cc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2Cc2cccnc2)c1 ZINC000011664979 207316735 /nfs/dbraw/zinc/31/67/35/207316735.db2.gz IOBLQCWTUPAHCC-DEOSSOPVSA-N 1 2 353.469 5.019 10 0 FKAELO Cc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2Cc2cccnc2)c1 ZINC000011664979 207316731 /nfs/dbraw/zinc/31/67/31/207316731.db2.gz IOBLQCWTUPAHCC-DEOSSOPVSA-N 1 2 353.469 5.019 10 0 FKAELO COCc1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C(C)(C)C)o1 ZINC000011818734 210101678 /nfs/dbraw/zinc/10/16/78/210101678.db2.gz SGVCRRJGTCFHLJ-OAQYLSRUSA-N 1 2 352.478 5.053 10 0 FKAELO COCc1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2C(C)(C)C)o1 ZINC000011818734 210101674 /nfs/dbraw/zinc/10/16/74/210101674.db2.gz SGVCRRJGTCFHLJ-OAQYLSRUSA-N 1 2 352.478 5.053 10 0 FKAELO COCc1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2C(C)(C)C)o1 ZINC000011818735 203826119 /nfs/dbraw/zinc/82/61/19/203826119.db2.gz SGVCRRJGTCFHLJ-NRFANRHFSA-N 1 2 352.478 5.053 10 0 FKAELO COCc1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2C(C)(C)C)o1 ZINC000011818735 203826112 /nfs/dbraw/zinc/82/61/12/203826112.db2.gz SGVCRRJGTCFHLJ-NRFANRHFSA-N 1 2 352.478 5.053 10 0 FKAELO COCc1ccc(C[N@H+]2CCc3c4ccccc4[nH]c3[C@@H]2CC(C)C)o1 ZINC000012588923 220011068 /nfs/dbraw/zinc/01/10/68/220011068.db2.gz BPMSQKCYNZZCDL-NRFANRHFSA-N 1 2 352.478 5.053 10 0 FKAELO COCc1ccc(C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@H]2CC(C)C)o1 ZINC000012588923 220011064 /nfs/dbraw/zinc/01/10/64/220011064.db2.gz BPMSQKCYNZZCDL-NRFANRHFSA-N 1 2 352.478 5.053 10 0 FKAELO c1csc(C[N@H+]2CCc3c4ccccc4[nH]c3[C@H]2C2CCCCC2)n1 ZINC000014954987 211105730 /nfs/dbraw/zinc/10/57/30/211105730.db2.gz QSAXSEXWPIHCHD-OAQYLSRUSA-N 1 2 351.519 5.304 10 0 FKAELO c1csc(C[N@@H+]2CCc3c4ccccc4[nH]c3[C@H]2C2CCCCC2)n1 ZINC000014954987 211105726 /nfs/dbraw/zinc/10/57/26/211105726.db2.gz QSAXSEXWPIHCHD-OAQYLSRUSA-N 1 2 351.519 5.304 10 0 FKAELO COc1cccc(C[N@@H+](C)Cc2nc(-c3cccc4ccccc43)oc2C)c1 ZINC000019731482 220292668 /nfs/dbraw/zinc/29/26/68/220292668.db2.gz IAVPVDJSLAVAAR-UHFFFAOYSA-N 1 2 372.468 5.444 10 0 FKAELO COc1cccc(C[N@H+](C)Cc2nc(-c3cccc4ccccc43)oc2C)c1 ZINC000019731482 220292665 /nfs/dbraw/zinc/29/26/65/220292665.db2.gz IAVPVDJSLAVAAR-UHFFFAOYSA-N 1 2 372.468 5.444 10 0 FKAELO CC1(C)CCC/C(=C\c2ccc(Cl)cc2Cl)[C@@]1(O)Cn1cc[nH+]c1 ZINC000020568402 220333884 /nfs/dbraw/zinc/33/38/84/220333884.db2.gz VSEDZPKFLMGOAB-XATQLNLPSA-N 1 2 365.304 5.215 10 0 FKAELO CC1(C)CCC/C(=C\c2ccc(Cl)cc2Cl)[C@]1(O)Cn1cc[nH+]c1 ZINC000020568403 220332978 /nfs/dbraw/zinc/33/29/78/220332978.db2.gz VSEDZPKFLMGOAB-JVVYVMHDSA-N 1 2 365.304 5.215 10 0 FKAELO Clc1cccc(Cl)c1Nc1ncc(-c2ccccc2)n2c[nH+]cc12 ZINC000028642285 210242166 /nfs/dbraw/zinc/24/21/66/210242166.db2.gz OUMFMWWYXCAKHL-UHFFFAOYSA-N 1 2 355.228 5.447 10 0 FKAELO CCCc1cc(N[C@H](CC)c2ccc(Oc3ccc(F)cc3)cc2)nc[nH+]1 ZINC000028887690 210243718 /nfs/dbraw/zinc/24/37/18/210243718.db2.gz RYUVDYSKWRYUNB-OAQYLSRUSA-N 1 2 365.452 5.924 10 0 FKAELO CCCn1c(CCc2ccccc2NC(=O)c2ccco2)[nH+]c2ccccc21 ZINC000033019749 571106014 /nfs/dbraw/zinc/10/60/14/571106014.db2.gz QZAAIXOOTUBJRS-UHFFFAOYSA-N 1 2 373.456 5.077 10 0 FKAELO Clc1ccc(C[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000033493880 210245247 /nfs/dbraw/zinc/24/52/47/210245247.db2.gz MAUZZLMDDSUTCD-AWEZNQCLSA-N 1 2 365.691 5.870 10 0 FKAELO CC[NH2+][C@H](c1ccc(Br)o1)c1cc(Cl)sc1Cl ZINC000035559240 208130752 /nfs/dbraw/zinc/13/07/52/208130752.db2.gz RLVAGUDLKLCXNP-JTQLQIEISA-N 1 2 355.084 5.109 10 0 FKAELO CCC(O)(CC)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)o1 ZINC000036145486 571149155 /nfs/dbraw/zinc/14/91/55/571149155.db2.gz MARWOEDLKDBOGM-UHFFFAOYSA-N 1 2 353.462 5.083 10 0 FKAELO CCC(O)(CC)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)o1 ZINC000036145486 571149151 /nfs/dbraw/zinc/14/91/51/571149151.db2.gz MARWOEDLKDBOGM-UHFFFAOYSA-N 1 2 353.462 5.083 10 0 FKAELO FC(F)(F)c1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccoc2)c1 ZINC000037523136 205027719 /nfs/dbraw/zinc/02/77/19/205027719.db2.gz GFDIRRZDWYYMER-IBGZPJMESA-N 1 2 360.379 5.095 10 0 FKAELO FC(F)(F)c1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccoc2)c1 ZINC000037523136 205027715 /nfs/dbraw/zinc/02/77/15/205027715.db2.gz GFDIRRZDWYYMER-IBGZPJMESA-N 1 2 360.379 5.095 10 0 FKAELO Clc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccncc2)cc1Cl ZINC000037523505 208180492 /nfs/dbraw/zinc/18/04/92/208180492.db2.gz BMQGMNLMZDSPNN-HXUWFJFHSA-N 1 2 372.299 5.185 10 0 FKAELO Clc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccncc2)cc1Cl ZINC000037523505 208180488 /nfs/dbraw/zinc/18/04/88/208180488.db2.gz BMQGMNLMZDSPNN-HXUWFJFHSA-N 1 2 372.299 5.185 10 0 FKAELO Cc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cc(F)c(F)cc1F ZINC000037523790 208182051 /nfs/dbraw/zinc/18/20/51/208182051.db2.gz LVBUWZGAWPCHLU-QFIPXVFZSA-N 1 2 370.418 5.209 10 0 FKAELO Cc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cc(F)c(F)cc1F ZINC000037523790 208182047 /nfs/dbraw/zinc/18/20/47/208182047.db2.gz LVBUWZGAWPCHLU-QFIPXVFZSA-N 1 2 370.418 5.209 10 0 FKAELO Cc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cc(F)c(F)cc1F ZINC000037523791 208182970 /nfs/dbraw/zinc/18/29/70/208182970.db2.gz LVBUWZGAWPCHLU-JOCHJYFZSA-N 1 2 370.418 5.209 10 0 FKAELO Cc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cc(F)c(F)cc1F ZINC000037523791 208182966 /nfs/dbraw/zinc/18/29/66/208182966.db2.gz LVBUWZGAWPCHLU-JOCHJYFZSA-N 1 2 370.418 5.209 10 0 FKAELO C[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)c1ccc(Br)s1 ZINC000038002666 207796804 /nfs/dbraw/zinc/79/68/04/207796804.db2.gz LASLPQJKKIPQAK-GFCCVEGCSA-N 1 2 366.328 5.069 10 0 FKAELO COc1ccc(CCn2c3ccccc3[nH+]c2C2CCCCC2)cc1OC ZINC000038345364 208200599 /nfs/dbraw/zinc/20/05/99/208200599.db2.gz QRPUACRCDHBXOJ-UHFFFAOYSA-N 1 2 364.489 5.344 10 0 FKAELO CCCCc1c[nH+]c2c(OCCO)cccc2c1Nc1ccccc1C ZINC000038823219 208028965 /nfs/dbraw/zinc/02/89/65/208028965.db2.gz MTUDPDCLKAOLSZ-UHFFFAOYSA-N 1 2 350.462 5.001 10 0 FKAELO FC(F)(F)c1ccccc1Nc1cc[nH+]c2c1cccc2C(F)(F)F ZINC000039963851 205047059 /nfs/dbraw/zinc/04/70/59/205047059.db2.gz GZKNEVSWRNOVJQ-UHFFFAOYSA-N 1 2 356.269 6.016 10 0 FKAELO FC(F)(F)c1cccc2c(Nc3ccccc3Br)cc[nH+]c21 ZINC000039963859 208215043 /nfs/dbraw/zinc/21/50/43/208215043.db2.gz RUTATMWPUQLVOU-UHFFFAOYSA-N 1 2 367.168 5.760 10 0 FKAELO CC(C)OC(=O)c1ccc(Nc2cc[nH+]c3c2cccc3C(F)(F)F)cc1 ZINC000039963872 208214329 /nfs/dbraw/zinc/21/43/29/208214329.db2.gz PKFDYCVFHGTUTM-UHFFFAOYSA-N 1 2 374.362 5.562 10 0 FKAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)COc3ccc4ccccc4c3)c2c1 ZINC000040177044 205062217 /nfs/dbraw/zinc/06/22/17/205062217.db2.gz XRPBQNIIQMSYHX-UHFFFAOYSA-N 1 2 370.452 5.331 10 0 FKAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)c3ccc(Cl)cc3Cl)c2c1 ZINC000040177052 208241258 /nfs/dbraw/zinc/24/12/58/208241258.db2.gz BLVHRHKIUBHNDT-UHFFFAOYSA-N 1 2 359.256 5.141 10 0 FKAELO Cc1cc(C)c2[nH+]c(C)cc(NC(=O)/C=C/c3nc4ccccc4s3)c2c1 ZINC000040177067 208242210 /nfs/dbraw/zinc/24/22/10/208242210.db2.gz HZTXMHBGKBVAOQ-CMDGGOBGSA-N 1 2 373.481 5.422 10 0 FKAELO CCCCn1c(CCCCCNC(=O)C(CC)CC)[nH+]c2ccccc21 ZINC000040211560 205063302 /nfs/dbraw/zinc/06/33/02/205063302.db2.gz XOSVWNFIKAFMIH-UHFFFAOYSA-N 1 2 357.542 5.102 10 0 FKAELO CCCCCCn1c(CCCCCNC(=O)C(C)C)[nH+]c2ccccc21 ZINC000040211729 205063295 /nfs/dbraw/zinc/06/32/95/205063295.db2.gz NHSFAPDCHJBLBF-UHFFFAOYSA-N 1 2 357.542 5.102 10 0 FKAELO CCc1[nH+]c2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1 ZINC000040231159 208242965 /nfs/dbraw/zinc/24/29/65/208242965.db2.gz NUPVWZPYZXKQSO-UHFFFAOYSA-N 1 2 350.506 5.755 10 0 FKAELO CC(C)c1[nH+]c2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1 ZINC000040231318 205062991 /nfs/dbraw/zinc/06/29/91/205062991.db2.gz GMXDXZTZOQULDV-UHFFFAOYSA-N 1 2 350.506 5.926 10 0 FKAELO CC(C)c1[nH+]c2ccccc2n1CCCCOc1ccc(C(C)C)cc1 ZINC000040231360 208243651 /nfs/dbraw/zinc/24/36/51/208243651.db2.gz HYTLLDZZAJPWMF-UHFFFAOYSA-N 1 2 350.506 6.142 10 0 FKAELO CC(C)c1[nH+]c2ccccc2n1CCCCOc1ccc(C(C)(C)C)cc1 ZINC000040231362 208243694 /nfs/dbraw/zinc/24/36/94/208243694.db2.gz AVNKEQOZAONHPO-UHFFFAOYSA-N 1 2 364.533 6.316 10 0 FKAELO Brc1cccc(Cn2c3ccccc3[nH+]c2C2CCCCC2)c1 ZINC000040231430 208244448 /nfs/dbraw/zinc/24/44/48/208244448.db2.gz AHWOSTAOHYWPPC-UHFFFAOYSA-N 1 2 369.306 5.895 10 0 FKAELO Brc1ccc(Cn2c3ccccc3[nH+]c2C2CCCCC2)cc1 ZINC000040231432 208244045 /nfs/dbraw/zinc/24/40/45/208244045.db2.gz QIXBSLNAZZPLLM-UHFFFAOYSA-N 1 2 369.306 5.895 10 0 FKAELO CC(C)c1ccccc1OCCn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000040231443 208244029 /nfs/dbraw/zinc/24/40/29/208244029.db2.gz NNLDDXQFPNEAAR-UHFFFAOYSA-N 1 2 362.517 6.286 10 0 FKAELO CC(C)c1ccc(OCCn2c3ccccc3[nH+]c2C2CCCCC2)cc1 ZINC000040231456 205063421 /nfs/dbraw/zinc/06/34/21/205063421.db2.gz DNMMJKSRSIBFRJ-UHFFFAOYSA-N 1 2 362.517 6.286 10 0 FKAELO COc1cccc(OCCCn2c3ccccc3[nH+]c2C2CCCCC2)c1 ZINC000040231477 205062657 /nfs/dbraw/zinc/06/26/57/205062657.db2.gz YGHWJKXDNWDTAY-UHFFFAOYSA-N 1 2 364.489 5.562 10 0 FKAELO Cc1cc(C)cc(OCCCn2c3ccccc3[nH+]c2C2CCCCC2)c1 ZINC000040231479 208243380 /nfs/dbraw/zinc/24/33/80/208243380.db2.gz APWRHIHEXXDESX-UHFFFAOYSA-N 1 2 362.517 6.170 10 0 FKAELO CCN(C(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1)c1ccccc1 ZINC000040231546 205063606 /nfs/dbraw/zinc/06/36/06/205063606.db2.gz XSKYVUJDJYAUAZ-UHFFFAOYSA-N 1 2 361.489 5.137 10 0 FKAELO O=C(Cn1c2ccccc2[nH+]c1C1CCCCC1)N1CCCc2ccccc21 ZINC000040231568 136119596 /nfs/dbraw/zinc/11/95/96/136119596.db2.gz IIWWDFDGCXLEAJ-UHFFFAOYSA-N 1 2 373.500 5.063 10 0 FKAELO O=C(Cn1c2ccccc2[nH+]c1C1CCCCC1)c1ccc(Cl)cc1 ZINC000040231572 208244134 /nfs/dbraw/zinc/24/41/34/208244134.db2.gz QSJCWTKHHOWKHM-UHFFFAOYSA-N 1 2 352.865 5.620 10 0 FKAELO Cc1cc(C)c(Cn2c3ccccc3[nH+]c2CCc2ccccc2)c(C)c1 ZINC000040238214 205063895 /nfs/dbraw/zinc/06/38/95/205063895.db2.gz HWVLRYNBVQVIHY-UHFFFAOYSA-N 1 2 354.497 5.795 10 0 FKAELO Cc1cccc(C)c1OCCn1c(CCc2ccccc2)[nH+]c2ccccc21 ZINC000040238228 208243122 /nfs/dbraw/zinc/24/31/22/208243122.db2.gz IXPSBOFOSGFBCR-UHFFFAOYSA-N 1 2 370.496 5.517 10 0 FKAELO Cc1ccc(C(C)C)c(OCCCn2c3ccccc3[nH+]c2C(C)(C)C)c1 ZINC000040239249 205063741 /nfs/dbraw/zinc/06/37/41/205063741.db2.gz RWCCUMADNGYNSG-UHFFFAOYSA-N 1 2 364.533 6.235 10 0 FKAELO CC(C)(C)c1[nH+]c2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1 ZINC000040239267 205063732 /nfs/dbraw/zinc/06/37/32/205063732.db2.gz VAJCCVUBQSQDKZ-UHFFFAOYSA-N 1 2 364.533 6.100 10 0 FKAELO CC(C)(C)c1[nH+]c2ccccc2n1CCCOc1cccc2ccccc21 ZINC000040239270 205064689 /nfs/dbraw/zinc/06/46/89/205064689.db2.gz WAOFOFQXUQQKON-UHFFFAOYSA-N 1 2 358.485 5.956 10 0 FKAELO Cc1cccc(C)c1OCCCCn1c2ccccc2[nH+]c1C(C)(C)C ZINC000040239277 205064207 /nfs/dbraw/zinc/06/42/07/205064207.db2.gz PEKSBJVWHZYWPZ-UHFFFAOYSA-N 1 2 350.506 5.810 10 0 FKAELO CC(C)c1ccc(OCCCCn2c3ccccc3[nH+]c2C(C)(C)C)cc1 ZINC000040239294 205063753 /nfs/dbraw/zinc/06/37/53/205063753.db2.gz UJCSGFQMNLICDG-UHFFFAOYSA-N 1 2 364.533 6.316 10 0 FKAELO O=C(Cn1c2ccccc2[nH+]c1C1CCCCC1)Nc1ccccc1Cl ZINC000040295813 205065733 /nfs/dbraw/zinc/06/57/33/205065733.db2.gz CIGSQGSLRQQLOF-UHFFFAOYSA-N 1 2 367.880 5.376 10 0 FKAELO CCc1ccccc1NC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000040295819 205066076 /nfs/dbraw/zinc/06/60/76/205066076.db2.gz RQEKPZZOGILBDH-UHFFFAOYSA-N 1 2 361.489 5.285 10 0 FKAELO O=C(Cn1c2ccccc2[nH+]c1C1CCCCC1)Nc1cccc(Cl)c1 ZINC000040295823 205065203 /nfs/dbraw/zinc/06/52/03/205065203.db2.gz FDAGHQMWWGAJKN-UHFFFAOYSA-N 1 2 367.880 5.376 10 0 FKAELO CCc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)cc1 ZINC000040295845 205065867 /nfs/dbraw/zinc/06/58/67/205065867.db2.gz HKILWRLCURTRMJ-UHFFFAOYSA-N 1 2 361.489 5.285 10 0 FKAELO Cc1cccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)c1C ZINC000040295849 208247567 /nfs/dbraw/zinc/24/75/67/208247567.db2.gz WRQCYWTZTIMEFR-UHFFFAOYSA-N 1 2 361.489 5.340 10 0 FKAELO Cc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)c(C)c1 ZINC000040295851 205065223 /nfs/dbraw/zinc/06/52/23/205065223.db2.gz RBFAPPPLZBJCTB-UHFFFAOYSA-N 1 2 361.489 5.340 10 0 FKAELO Cc1ccc(C)c(NC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)c1 ZINC000040295855 205065160 /nfs/dbraw/zinc/06/51/60/205065160.db2.gz VCYQODDIYPDSMW-UHFFFAOYSA-N 1 2 361.489 5.340 10 0 FKAELO Cc1ccc(NC(=O)Cn2c3ccccc3[nH+]c2C2CCCCC2)cc1C ZINC000040295859 208247114 /nfs/dbraw/zinc/24/71/14/208247114.db2.gz UWBPFLIXTWSBIZ-UHFFFAOYSA-N 1 2 361.489 5.340 10 0 FKAELO COc1ccc(CCn2c3cc(Cl)ccc3[nH+]c2C(C)C)cc1OC ZINC000040406895 205068785 /nfs/dbraw/zinc/06/87/85/205068785.db2.gz VHNIZKYJYZZEPH-UHFFFAOYSA-N 1 2 358.869 5.073 10 0 FKAELO CCCCc1ccc(Nc2[nH+]cnc(N(CC(C)C)CC(C)C)c2N)cc1 ZINC000040680003 211752553 /nfs/dbraw/zinc/75/25/53/211752553.db2.gz GNINEJPJEIHPED-UHFFFAOYSA-N 1 2 369.557 5.263 10 0 FKAELO Nc1c(NC2CCCCCC2)nc[nH+]c1Nc1cc(Cl)cc(Cl)c1 ZINC000040701162 205077218 /nfs/dbraw/zinc/07/72/18/205077218.db2.gz BMXPQINLANVXKD-UHFFFAOYSA-N 1 2 366.296 5.244 10 0 FKAELO Nc1c(Nc2cc(Cl)cc(Cl)c2)nc[nH+]c1NC1CCCCCC1 ZINC000040701162 205077214 /nfs/dbraw/zinc/07/72/14/205077214.db2.gz BMXPQINLANVXKD-UHFFFAOYSA-N 1 2 366.296 5.244 10 0 FKAELO Nc1c(NC2CCCCCC2)nc[nH+]c1Nc1ccc(Cl)c(Cl)c1 ZINC000040704296 208264416 /nfs/dbraw/zinc/26/44/16/208264416.db2.gz GBUKFPDYVOGTHY-UHFFFAOYSA-N 1 2 366.296 5.244 10 0 FKAELO Nc1c(Nc2ccc(Cl)c(Cl)c2)nc[nH+]c1NC1CCCCCC1 ZINC000040704296 208264411 /nfs/dbraw/zinc/26/44/11/208264411.db2.gz GBUKFPDYVOGTHY-UHFFFAOYSA-N 1 2 366.296 5.244 10 0 FKAELO CC(C)CN(CC(C)C)c1nc[nH+]c(Nc2ccc(C(C)C)cc2)c1N ZINC000040706042 208264275 /nfs/dbraw/zinc/26/42/75/208264275.db2.gz OCYCSMNAPDMJGP-UHFFFAOYSA-N 1 2 355.530 5.044 10 0 FKAELO CC(C)CN(CC(C)C)c1nc[nH+]c(Nc2cccc3ccccc32)c1N ZINC000040735586 205078134 /nfs/dbraw/zinc/07/81/34/205078134.db2.gz HOPVSESNIQRDRC-UHFFFAOYSA-N 1 2 363.509 5.074 10 0 FKAELO CC(C)CN(CC(C)C)c1[nH+]cnc(Nc2cccc3ccccc32)c1N ZINC000040735586 205078131 /nfs/dbraw/zinc/07/81/31/205078131.db2.gz HOPVSESNIQRDRC-UHFFFAOYSA-N 1 2 363.509 5.074 10 0 FKAELO Cc1ccc(CNc2[nH+]cnc(Nc3cc(Cl)ccc3Cl)c2N)cc1 ZINC000040778205 208268099 /nfs/dbraw/zinc/26/80/99/208268099.db2.gz WSBCORGZMYWVNX-UHFFFAOYSA-N 1 2 374.275 5.030 10 0 FKAELO Cc1ccc(CNc2[nH+]cnc(Nc3cccc(Cl)c3Cl)c2N)cc1 ZINC000040778608 208269391 /nfs/dbraw/zinc/26/93/91/208269391.db2.gz MIXZVAKSFJCIKG-UHFFFAOYSA-N 1 2 374.275 5.030 10 0 FKAELO Cc1ccc(CNc2[nH+]cnc(Nc3ccc(Cl)cc3Cl)c2N)cc1 ZINC000040783271 208271387 /nfs/dbraw/zinc/27/13/87/208271387.db2.gz HLRXYYUCARSVGY-UHFFFAOYSA-N 1 2 374.275 5.030 10 0 FKAELO FC(F)(F)c1ccc2c(Nc3ccc(Br)cc3)cc[nH+]c2c1 ZINC000041054833 208280322 /nfs/dbraw/zinc/28/03/22/208280322.db2.gz JZDLWBNGNJUHRE-UHFFFAOYSA-N 1 2 367.168 5.760 10 0 FKAELO FC(F)(F)c1ccc2c(Nc3cccc(Br)c3)cc[nH+]c2c1 ZINC000041054837 208280168 /nfs/dbraw/zinc/28/01/68/208280168.db2.gz GZHXFNGLXLDEFP-UHFFFAOYSA-N 1 2 367.168 5.760 10 0 FKAELO FC(F)(F)c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000041054896 208280596 /nfs/dbraw/zinc/28/05/96/208280596.db2.gz NZMIOSRQOFJXFR-UHFFFAOYSA-N 1 2 356.269 6.016 10 0 FKAELO FC(F)(F)c1ccc2c(Nc3ccccc3Br)cc[nH+]c2c1 ZINC000041054900 205087171 /nfs/dbraw/zinc/08/71/71/205087171.db2.gz OXFSSHDXKBAKRC-UHFFFAOYSA-N 1 2 367.168 5.760 10 0 FKAELO CC(C)OC(=O)c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1 ZINC000041054912 208279870 /nfs/dbraw/zinc/27/98/70/208279870.db2.gz CCWJBYKWJBMVNK-UHFFFAOYSA-N 1 2 374.362 5.562 10 0 FKAELO FC(F)(F)c1ccccc1Nc1cc[nH+]c2ccc(Br)cc12 ZINC000041055269 208280288 /nfs/dbraw/zinc/28/02/88/208280288.db2.gz RYCXQTIKJOZLLL-UHFFFAOYSA-N 1 2 367.168 5.760 10 0 FKAELO FC(F)(F)c1cccc(Nc2cc[nH+]c3ccc(Br)cc23)c1 ZINC000041055273 208279844 /nfs/dbraw/zinc/27/98/44/208279844.db2.gz ZESQVVZXZOEJRT-UHFFFAOYSA-N 1 2 367.168 5.760 10 0 FKAELO FC(F)(F)c1ccc(Nc2cc[nH+]c3ccc(Br)cc23)cc1 ZINC000041055284 205087470 /nfs/dbraw/zinc/08/74/70/205087470.db2.gz PQSCPTREMURQDJ-UHFFFAOYSA-N 1 2 367.168 5.760 10 0 FKAELO Cc1cc(Br)ccc1Nc1cc[nH+]c2c(C)c(Cl)ccc12 ZINC000041055508 208280625 /nfs/dbraw/zinc/28/06/25/208280625.db2.gz OFYCJCNPOSVLHB-UHFFFAOYSA-N 1 2 361.670 6.011 10 0 FKAELO COc1cc(Nc2cc[nH+]c3c(C)c(Cl)ccc23)c(OC)cc1Cl ZINC000041055522 208279784 /nfs/dbraw/zinc/27/97/84/208279784.db2.gz RVLYVXBPFIDGRW-UHFFFAOYSA-N 1 2 363.244 5.611 10 0 FKAELO CCCCC(=O)Nc1c[nH+]c(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124318 208283158 /nfs/dbraw/zinc/28/31/58/208283158.db2.gz WSDORRCXQKQVNB-UHFFFAOYSA-N 1 2 374.897 5.086 10 0 FKAELO Cc1ccc(CNc2nc(NCc3ccccc3)c3ccccc3[nH+]2)cc1 ZINC000041151150 205088715 /nfs/dbraw/zinc/08/87/15/205088715.db2.gz HOCCIEDITRYLDV-UHFFFAOYSA-N 1 2 354.457 5.162 10 0 FKAELO Clc1ccccc1CNc1nc(NC2CCCCC2)c2ccccc2[nH+]1 ZINC000041152877 205088846 /nfs/dbraw/zinc/08/88/46/205088846.db2.gz GGTFUPYOGUDUQA-UHFFFAOYSA-N 1 2 366.896 5.640 10 0 FKAELO FC(F)(F)c1ccccc1Nc1cc[nH+]c2cc(Br)ccc12 ZINC000054202319 205198659 /nfs/dbraw/zinc/19/86/59/205198659.db2.gz FSLPYMZGZHCGIH-UHFFFAOYSA-N 1 2 367.168 5.760 10 0 FKAELO FC(F)(F)c1ccc(Nc2cc[nH+]c3cc(Br)ccc23)cc1 ZINC000054202327 221051291 /nfs/dbraw/zinc/05/12/91/221051291.db2.gz QEBOYSLOZCVVGV-UHFFFAOYSA-N 1 2 367.168 5.760 10 0 FKAELO C[C@H](c1ccncn1)[N@@H+](C)Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000055361007 205216681 /nfs/dbraw/zinc/21/66/81/205216681.db2.gz DJBIJJRWBAUHQH-CYBMUJFWSA-N 1 2 359.882 5.067 10 0 FKAELO C[C@H](c1ccncn1)[N@H+](C)Cc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000055361007 205216678 /nfs/dbraw/zinc/21/66/78/205216678.db2.gz DJBIJJRWBAUHQH-CYBMUJFWSA-N 1 2 359.882 5.067 10 0 FKAELO COC(=O)[C@H](CCSC)[NH2+]C/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000071788298 570514125 /nfs/dbraw/zinc/51/41/25/570514125.db2.gz BCIAEXUSWOQQGR-UJMPLXFMSA-N 1 2 367.599 5.290 10 0 FKAELO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000071789451 221376681 /nfs/dbraw/zinc/37/66/81/221376681.db2.gz MAVRJTDKUNWDME-UHFFFAOYSA-N 1 2 373.378 5.069 10 0 FKAELO C[C@@H]1CCCN(c2nc(NCc3ccccc3Cl)c3ccccc3[nH+]2)C1 ZINC000072260562 136143903 /nfs/dbraw/zinc/14/39/03/136143903.db2.gz JIGIBWYOPPSESP-OAHLLOKOSA-N 1 2 366.896 5.132 10 0 FKAELO C[C@H]1CCCN(c2nc(NCc3ccccc3Cl)c3ccccc3[nH+]2)C1 ZINC000072260563 136143957 /nfs/dbraw/zinc/14/39/57/136143957.db2.gz JIGIBWYOPPSESP-HNNXBMFYSA-N 1 2 366.896 5.132 10 0 FKAELO CC1CCN(c2nc(NCc3ccccc3Cl)c3ccccc3[nH+]2)CC1 ZINC000072260564 136143962 /nfs/dbraw/zinc/14/39/62/136143962.db2.gz GPEKEYQSVSDKQD-UHFFFAOYSA-N 1 2 366.896 5.132 10 0 FKAELO Fc1ccc(Br)cc1C[NH2+]Cc1c(Cl)cccc1Cl ZINC000103990585 222348918 /nfs/dbraw/zinc/34/89/18/222348918.db2.gz VMGWOVHAAOYPNS-UHFFFAOYSA-N 1 2 363.057 5.185 10 0 FKAELO CCNc1cc(C(C)C)[nH+]c2c(Br)ccc(Br)c12 ZINC000104004292 222348976 /nfs/dbraw/zinc/34/89/76/222348976.db2.gz QUQHOUOMJCKKRI-UHFFFAOYSA-N 1 2 372.104 5.315 10 0 FKAELO CCNc1cc(C(C)C)[nH+]c2c(Br)cc(Br)cc12 ZINC000104008307 209258436 /nfs/dbraw/zinc/25/84/36/209258436.db2.gz FZSNJLQNNNIVEA-UHFFFAOYSA-N 1 2 372.104 5.315 10 0 FKAELO Cc1cc(OC(F)(F)F)ccc1-c1ccc2cc(-n3cc[nH+]c3)ccc2n1 ZINC000117239487 209347228 /nfs/dbraw/zinc/34/72/28/209347228.db2.gz AJLDSFDDBIOXAN-UHFFFAOYSA-N 1 2 369.346 5.295 10 0 FKAELO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cccc2ccccc21 ZINC000226253886 132249847 /nfs/dbraw/zinc/24/98/47/132249847.db2.gz FIEFVZULTMBAQN-MRXNPFEDSA-N 1 2 359.473 5.053 10 0 FKAELO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cccc2ccccc21 ZINC000226253886 132249845 /nfs/dbraw/zinc/24/98/45/132249845.db2.gz FIEFVZULTMBAQN-MRXNPFEDSA-N 1 2 359.473 5.053 10 0 FKAELO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1cccc2ccccc21 ZINC000226253895 132249886 /nfs/dbraw/zinc/24/98/86/132249886.db2.gz FIEFVZULTMBAQN-INIZCTEOSA-N 1 2 359.473 5.053 10 0 FKAELO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1cccc2ccccc21 ZINC000226253895 132249884 /nfs/dbraw/zinc/24/98/84/132249884.db2.gz FIEFVZULTMBAQN-INIZCTEOSA-N 1 2 359.473 5.053 10 0 FKAELO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000226254346 132249928 /nfs/dbraw/zinc/24/99/28/132249928.db2.gz PTHCOQOHEDKEGW-UHFFFAOYSA-N 1 2 365.521 5.055 10 0 FKAELO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226254453 132250596 /nfs/dbraw/zinc/25/05/96/132250596.db2.gz FNNYPXVZOJWSPV-MRXNPFEDSA-N 1 2 365.521 5.197 10 0 FKAELO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226254453 132250594 /nfs/dbraw/zinc/25/05/94/132250594.db2.gz FNNYPXVZOJWSPV-MRXNPFEDSA-N 1 2 365.521 5.197 10 0 FKAELO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226254462 132250533 /nfs/dbraw/zinc/25/05/33/132250533.db2.gz FNNYPXVZOJWSPV-INIZCTEOSA-N 1 2 365.521 5.197 10 0 FKAELO C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226254462 132250531 /nfs/dbraw/zinc/25/05/31/132250531.db2.gz FNNYPXVZOJWSPV-INIZCTEOSA-N 1 2 365.521 5.197 10 0 FKAELO CC(C)c1ccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@@H]2C)cc1 ZINC000226254477 132250504 /nfs/dbraw/zinc/25/05/04/132250504.db2.gz FUPAFJFQIHPONJ-INIZCTEOSA-N 1 2 351.494 5.023 10 0 FKAELO CC(C)c1ccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000226254477 132250503 /nfs/dbraw/zinc/25/05/03/132250503.db2.gz FUPAFJFQIHPONJ-INIZCTEOSA-N 1 2 351.494 5.023 10 0 FKAELO CC(C)c1ccc(C(=O)Nc2cc(N)ccc2[N@H+]2CCCC[C@H]2C)cc1 ZINC000226254489 132250279 /nfs/dbraw/zinc/25/02/79/132250279.db2.gz FUPAFJFQIHPONJ-MRXNPFEDSA-N 1 2 351.494 5.023 10 0 FKAELO CC(C)c1ccc(C(=O)Nc2cc(N)ccc2[N@@H+]2CCCC[C@H]2C)cc1 ZINC000226254489 132250277 /nfs/dbraw/zinc/25/02/77/132250277.db2.gz FUPAFJFQIHPONJ-MRXNPFEDSA-N 1 2 351.494 5.023 10 0 FKAELO Nc1ccc([NH+]2CCCCC2)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000226254550 132250463 /nfs/dbraw/zinc/25/04/63/132250463.db2.gz RXDBSBLCBBFQKV-UHFFFAOYSA-N 1 2 371.484 5.178 10 0 FKAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000226260736 210177054 /nfs/dbraw/zinc/17/70/54/210177054.db2.gz CZKNSQYQAIZNBS-UHFFFAOYSA-N 1 2 359.473 5.034 10 0 FKAELO Cc1ccc(-c2[nH]c3c(cc(C45CC6CC(CC(C6)C4)C5)cc3C)[nH+]2)cc1 ZINC000226303608 206120165 /nfs/dbraw/zinc/12/01/65/206120165.db2.gz KHFSATGXXKNBJU-UHFFFAOYSA-N 1 2 356.513 6.315 10 0 FKAELO Cc1cc2nc(C3=CC[N@@H+](Cc4ccc(F)cc4Cl)CC3)oc2cc1C ZINC000226307834 206119400 /nfs/dbraw/zinc/11/94/00/206119400.db2.gz XUKRMOMMKZDLON-UHFFFAOYSA-N 1 2 370.855 5.526 10 0 FKAELO Cc1cc2nc(C3=CC[N@H+](Cc4ccc(F)cc4Cl)CC3)oc2cc1C ZINC000226307834 206119397 /nfs/dbraw/zinc/11/93/97/206119397.db2.gz XUKRMOMMKZDLON-UHFFFAOYSA-N 1 2 370.855 5.526 10 0 FKAELO Cc1cc(N)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1[NH+]1CCCCC1 ZINC000226329712 132250479 /nfs/dbraw/zinc/25/04/79/132250479.db2.gz SVULYNANDDWJJI-UHFFFAOYSA-N 1 2 365.521 5.117 10 0 FKAELO Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000226330022 132250444 /nfs/dbraw/zinc/25/04/44/132250444.db2.gz ATXYIAIRMVDFJE-GJZGRUSLSA-N 1 2 371.912 5.250 10 0 FKAELO Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000226330030 132250389 /nfs/dbraw/zinc/25/03/89/132250389.db2.gz ATXYIAIRMVDFJE-GASCZTMLSA-N 1 2 371.912 5.250 10 0 FKAELO Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000226330030 132250387 /nfs/dbraw/zinc/25/03/87/132250387.db2.gz ATXYIAIRMVDFJE-GASCZTMLSA-N 1 2 371.912 5.250 10 0 FKAELO Cc1cc(N)c(NC(=O)c2ccccc2Cl)cc1[NH+]1[C@H](C)CCC[C@H]1C ZINC000226330039 132250438 /nfs/dbraw/zinc/25/04/38/132250438.db2.gz ATXYIAIRMVDFJE-HUUCEWRRSA-N 1 2 371.912 5.250 10 0 FKAELO Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000226330331 132250293 /nfs/dbraw/zinc/25/02/93/132250293.db2.gz MTMVFYNXDLGWKK-GJZGRUSLSA-N 1 2 371.912 5.250 10 0 FKAELO Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000226330334 132250274 /nfs/dbraw/zinc/25/02/74/132250274.db2.gz MTMVFYNXDLGWKK-GASCZTMLSA-N 1 2 371.912 5.250 10 0 FKAELO Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000226330334 132250272 /nfs/dbraw/zinc/25/02/72/132250272.db2.gz MTMVFYNXDLGWKK-GASCZTMLSA-N 1 2 371.912 5.250 10 0 FKAELO Cc1cc(N)c(NC(=O)c2cccc(Cl)c2)cc1[NH+]1[C@H](C)CCC[C@H]1C ZINC000226330338 132250548 /nfs/dbraw/zinc/25/05/48/132250548.db2.gz MTMVFYNXDLGWKK-HUUCEWRRSA-N 1 2 371.912 5.250 10 0 FKAELO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000226330343 132250308 /nfs/dbraw/zinc/25/03/08/132250308.db2.gz WLGWXDFQCBCHQO-GJZGRUSLSA-N 1 2 371.912 5.250 10 0 FKAELO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000226330347 132250381 /nfs/dbraw/zinc/25/03/81/132250381.db2.gz WLGWXDFQCBCHQO-GASCZTMLSA-N 1 2 371.912 5.250 10 0 FKAELO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000226330347 132250380 /nfs/dbraw/zinc/25/03/80/132250380.db2.gz WLGWXDFQCBCHQO-GASCZTMLSA-N 1 2 371.912 5.250 10 0 FKAELO Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2)cc1[NH+]1[C@H](C)CCC[C@H]1C ZINC000226330350 132250518 /nfs/dbraw/zinc/25/05/18/132250518.db2.gz WLGWXDFQCBCHQO-HUUCEWRRSA-N 1 2 371.912 5.250 10 0 FKAELO c1ccc(-c2cc(N3CCCCC3)c3cc(N4CCCCC4)ccc3[nH+]2)nc1 ZINC000253495183 132293838 /nfs/dbraw/zinc/29/38/38/132293838.db2.gz GCZXKJJOQQPEFI-UHFFFAOYSA-N 1 2 372.516 5.277 10 0 FKAELO