smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(Br)o1 ZINC000226254078 136192658 /nfs/dbraw/zinc/19/26/58/136192658.db2.gz JVQRXIDHJYIHTP-NSHDSACASA-N 1 2 378.270 4.255 10 0 GIAELO C[C@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(Br)o1 ZINC000226254078 136192659 /nfs/dbraw/zinc/19/26/59/136192659.db2.gz JVQRXIDHJYIHTP-NSHDSACASA-N 1 2 378.270 4.255 10 0 GIAELO COc1ccc(C(=O)Nc2cc([NH+]3CCC(C)CC3)c(C)cc2N)cc1OC ZINC000226331357 536776217 /nfs/dbraw/zinc/77/62/17/536776217.db2.gz YMULLDMTBRICTK-UHFFFAOYSA-N 1 2 383.492 4.083 10 0 GIAELO CC[C@@H]1C[N@H+](Cc2cc(C)c(I)cc2C)C[C@H](CC)O1 ZINC000675075934 570910109 /nfs/dbraw/zinc/91/01/09/570910109.db2.gz XGDMUGXZOFSNED-IYBDPMFKSA-N 1 2 387.305 4.297 10 0 GIAELO CC[C@@H]1C[N@@H+](Cc2cc(C)c(I)cc2C)C[C@H](CC)O1 ZINC000675075934 570910108 /nfs/dbraw/zinc/91/01/08/570910108.db2.gz XGDMUGXZOFSNED-IYBDPMFKSA-N 1 2 387.305 4.297 10 0 GIAELO COc1cccc(C[NH+]2CCN(C(=O)Nc3cccc(Cl)c3Cl)CC2)c1 ZINC000020274214 570251269 /nfs/dbraw/zinc/25/12/69/570251269.db2.gz YNORDALJWKDYJP-UHFFFAOYSA-N 1 2 394.302 4.352 10 0 GIAELO Nc1c(Nc2ccc(Br)cn2)nc[nH+]c1NC1CCCCCC1 ZINC000040779981 205071447 /nfs/dbraw/zinc/07/14/47/205071447.db2.gz BKZUULDDVBMSES-UHFFFAOYSA-N 1 2 377.290 4.095 10 0 GIAELO COCc1ccc(C[N@@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)o1 ZINC000012162229 204378084 /nfs/dbraw/zinc/37/80/84/204378084.db2.gz DBKFGQCHKYNZTN-QHCPKHFHSA-N 1 2 393.483 4.097 10 0 GIAELO COCc1ccc(C[N@H+]2CCOc3ccc([C@@H](O)Cc4ccccc4)cc3C2)o1 ZINC000012162229 204378087 /nfs/dbraw/zinc/37/80/87/204378087.db2.gz DBKFGQCHKYNZTN-QHCPKHFHSA-N 1 2 393.483 4.097 10 0 GIAELO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH]cc[nH+]2)c(F)c1 ZINC000011933587 204362146 /nfs/dbraw/zinc/36/21/46/204362146.db2.gz YHBRYXPYZOEKQF-JOCHJYFZSA-N 1 2 376.435 4.186 10 0 GIAELO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@@H+](Cc1ccccc1Cl)CCO2 ZINC000055099228 205144143 /nfs/dbraw/zinc/14/41/43/205144143.db2.gz NHVIMKYZRBRLJH-QFIPXVFZSA-N 1 2 380.875 4.211 10 0 GIAELO O[C@H](c1cccnc1)c1ccc2c(c1)C[N@H+](Cc1ccccc1Cl)CCO2 ZINC000055099228 205144146 /nfs/dbraw/zinc/14/41/46/205144146.db2.gz NHVIMKYZRBRLJH-QFIPXVFZSA-N 1 2 380.875 4.211 10 0 GIAELO C[NH+]1CCN(CC[C@H](Cc2ccccc2Cl)[C@@H]2CCOC(C)(C)C2)CC1 ZINC000027579233 206015590 /nfs/dbraw/zinc/01/55/90/206015590.db2.gz RBAQEFQJTOICJY-UYAOXDASSA-N 1 2 378.988 4.341 10 0 GIAELO CC(C)[N@H+]1Cc2cc(C(=O)NCCCN3CCCc4ccccc43)sc2C1 ZINC000065238771 136160993 /nfs/dbraw/zinc/16/09/93/136160993.db2.gz VYCFOKKSTREREP-UHFFFAOYSA-N 1 2 383.561 4.045 10 0 GIAELO CC(C)[N@@H+]1Cc2cc(C(=O)NCCCN3CCCc4ccccc43)sc2C1 ZINC000065238771 136160994 /nfs/dbraw/zinc/16/09/94/136160994.db2.gz VYCFOKKSTREREP-UHFFFAOYSA-N 1 2 383.561 4.045 10 0 GIAELO Fc1ccc(CNc2nc(Cl)c3c(n2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000057343698 526341927 /nfs/dbraw/zinc/34/19/27/526341927.db2.gz JFPHSEUBQWDSGM-UHFFFAOYSA-N 1 2 382.870 4.440 10 0 GIAELO Fc1ccc(CNc2nc(Cl)c3c(n2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000057343698 526341928 /nfs/dbraw/zinc/34/19/28/526341928.db2.gz JFPHSEUBQWDSGM-UHFFFAOYSA-N 1 2 382.870 4.440 10 0 GIAELO Fc1ccc(CN(C[C@H]2CCCO2)C(=S)Nc2cc[nH+]cc2)cc1Cl ZINC000005898698 204155379 /nfs/dbraw/zinc/15/53/79/204155379.db2.gz SGRCDGIOPHIFDB-OAHLLOKOSA-N 1 2 379.888 4.252 10 0 GIAELO COc1ccc(-c2cc(-c3ccc(OC)cc3)[nH+]c(N3CCOCC3)c2)cc1 ZINC000005360754 204128907 /nfs/dbraw/zinc/12/89/07/204128907.db2.gz ZFCNIWRBSSYWHI-UHFFFAOYSA-N 1 2 376.456 4.269 10 0 GIAELO CCCOC(=O)c1ccc(-c2[nH]c3cc(C)c(N)c(Br)c3[nH+]2)cc1 ZINC000078400760 205374676 /nfs/dbraw/zinc/37/46/76/205374676.db2.gz TZHBJGZCECLWAO-UHFFFAOYSA-N 1 2 388.265 4.450 10 0 GIAELO O=C(c1ccccc1Cl)N1CC[NH+]=C1N1CCC(Cc2ccccc2)CC1 ZINC000065306499 206106506 /nfs/dbraw/zinc/10/65/06/206106506.db2.gz FESFYYVBTPRVCX-UHFFFAOYSA-N 1 2 381.907 4.107 10 0 GIAELO Fc1cccc(-c2noc3c2C[N@H+](Cc2cnc(N4CCCC4)s2)CC3)c1 ZINC000015061719 570723362 /nfs/dbraw/zinc/72/33/62/570723362.db2.gz GBYQHZKKAAHQQN-UHFFFAOYSA-N 1 2 384.480 4.096 10 0 GIAELO Fc1cccc(-c2noc3c2C[N@@H+](Cc2cnc(N4CCCC4)s2)CC3)c1 ZINC000015061719 570723364 /nfs/dbraw/zinc/72/33/64/570723364.db2.gz GBYQHZKKAAHQQN-UHFFFAOYSA-N 1 2 384.480 4.096 10 0 GIAELO CCOc1cc(C2CC3CN(c4ccccc4)C(=O)C34CCC[N@H+]24)ccc1OC ZINC000011873671 204358758 /nfs/dbraw/zinc/35/87/58/204358758.db2.gz RKBQSFOVBVHUDH-WXVUKLJWSA-N 1 2 392.499 4.036 10 0 GIAELO CCOc1cc(C2CC3CN(c4ccccc4)C(=O)C34CCC[N@@H+]24)ccc1OC ZINC000011873671 204358761 /nfs/dbraw/zinc/35/87/61/204358761.db2.gz RKBQSFOVBVHUDH-WXVUKLJWSA-N 1 2 392.499 4.036 10 0 GIAELO CCOC(=O)C1CCN(c2[nH+]c3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021161923 570288556 /nfs/dbraw/zinc/28/85/56/570288556.db2.gz ULUIRGPVGLOCBG-UHFFFAOYSA-N 1 2 381.451 4.003 10 0 GIAELO S=C(NCc1ccc(Cl)cc1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000007017065 204230886 /nfs/dbraw/zinc/23/08/86/204230886.db2.gz XLNJMHRTNYTNBI-DAXSKMNVSA-N 1 2 385.964 4.046 10 0 GIAELO COc1cc(-c2nc(C[N@H+](Cc3c(C)nn(C)c3C)C3CC3)c(C)o2)ccc1F ZINC000012003371 204368034 /nfs/dbraw/zinc/36/80/34/204368034.db2.gz PTRQUBYODVGGIN-UHFFFAOYSA-N 1 2 398.482 4.313 10 0 GIAELO COc1cc(-c2nc(C[N@@H+](Cc3c(C)nn(C)c3C)C3CC3)c(C)o2)ccc1F ZINC000012003371 204368036 /nfs/dbraw/zinc/36/80/36/204368036.db2.gz PTRQUBYODVGGIN-UHFFFAOYSA-N 1 2 398.482 4.313 10 0 GIAELO C[NH+]1CCN(CC[C@H](Cc2ccccc2Cl)[C@H]2CCOC(C)(C)C2)CC1 ZINC000027579242 206015386 /nfs/dbraw/zinc/01/53/86/206015386.db2.gz RBAQEFQJTOICJY-QUCCMNQESA-N 1 2 378.988 4.341 10 0 GIAELO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)c(Cl)c1 ZINC000224146471 136206233 /nfs/dbraw/zinc/20/62/33/136206233.db2.gz CGGIZJXPQUFPLF-UHFFFAOYSA-N 1 2 388.903 4.139 10 0 GIAELO CCCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)nc[nH+]1 ZINC000065244819 535193792 /nfs/dbraw/zinc/19/37/92/535193792.db2.gz JBYAUWWMAWWUOO-OALUTQOASA-N 1 2 395.551 4.173 10 0 GIAELO CCCNc1cc(N2CCC[C@@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)[nH+]cn1 ZINC000065244819 535193797 /nfs/dbraw/zinc/19/37/97/535193797.db2.gz JBYAUWWMAWWUOO-OALUTQOASA-N 1 2 395.551 4.173 10 0 GIAELO O=C(c1ccc(F)cc1)[C@@](O)(Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026008567 203835309 /nfs/dbraw/zinc/83/53/09/203835309.db2.gz WXEOVZHKJXFPPI-GOSISDBHSA-N 1 2 379.218 4.100 10 0 GIAELO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000011946211 204364427 /nfs/dbraw/zinc/36/44/27/204364427.db2.gz KBGQZFDTBBZIPC-LBPRGKRZSA-N 1 2 385.851 4.410 10 0 GIAELO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000011946211 204364432 /nfs/dbraw/zinc/36/44/32/204364432.db2.gz KBGQZFDTBBZIPC-LBPRGKRZSA-N 1 2 385.851 4.410 10 0 GIAELO O=C(N[C@@H]1CCCC[C@H]1c1[nH+]cc2c(Cl)nccn21)OCc1ccccc1 ZINC000261508289 206287940 /nfs/dbraw/zinc/28/79/40/206287940.db2.gz RBFYGPFPKNPIMI-HZPDHXFCSA-N 1 2 384.867 4.335 10 0 GIAELO O=C(CCc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013586754 206295362 /nfs/dbraw/zinc/29/53/62/206295362.db2.gz OFIKKUMQKPOBHQ-KRWDZBQOSA-N 1 2 377.315 4.317 10 0 GIAELO O=C(CCc1ccccc1)N[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC000013586754 206295367 /nfs/dbraw/zinc/29/53/67/206295367.db2.gz OFIKKUMQKPOBHQ-KRWDZBQOSA-N 1 2 377.315 4.317 10 0 GIAELO Fc1ccccc1CNc1nc(Cl)c2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000057343713 526411849 /nfs/dbraw/zinc/41/18/49/526411849.db2.gz JMXVKVPNYOMICP-UHFFFAOYSA-N 1 2 382.870 4.440 10 0 GIAELO Fc1ccccc1CNc1nc(Cl)c2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC000057343713 526411855 /nfs/dbraw/zinc/41/18/55/526411855.db2.gz JMXVKVPNYOMICP-UHFFFAOYSA-N 1 2 382.870 4.440 10 0 GIAELO O=C(C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1cccs1 ZINC000014980748 207038019 /nfs/dbraw/zinc/03/80/19/207038019.db2.gz VUBPBKFBKGOTSX-NRFANRHFSA-N 1 2 378.497 4.000 10 0 GIAELO O=C(C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1)NCc1cccs1 ZINC000014980748 207038023 /nfs/dbraw/zinc/03/80/23/207038023.db2.gz VUBPBKFBKGOTSX-NRFANRHFSA-N 1 2 378.497 4.000 10 0 GIAELO O=C(NCCCn1cc[nH+]c1)c1cc(-c2ccc(C3CCCCC3)cc2)on1 ZINC000022655002 207258250 /nfs/dbraw/zinc/25/82/50/207258250.db2.gz PBBGHQQKJMMJRR-UHFFFAOYSA-N 1 2 378.476 4.406 10 0 GIAELO Fc1cccc(Nc2ccc3c([C@H]4CCC[N@@H+]4Cc4ccncc4)nnn3c2)c1 ZINC000096156586 208279587 /nfs/dbraw/zinc/27/95/87/208279587.db2.gz BOXLTMFSZBVZCX-HXUWFJFHSA-N 1 2 388.450 4.344 10 0 GIAELO Fc1cccc(Nc2ccc3c([C@H]4CCC[N@H+]4Cc4ccncc4)nnn3c2)c1 ZINC000096156586 208279592 /nfs/dbraw/zinc/27/95/92/208279592.db2.gz BOXLTMFSZBVZCX-HXUWFJFHSA-N 1 2 388.450 4.344 10 0 GIAELO CCc1cc(N2CCCC2)nc(SCc2cccc(C(=O)NCC3CC3)c2)[nH+]1 ZINC000006766298 570576860 /nfs/dbraw/zinc/57/68/60/570576860.db2.gz YMYGUQSOLAAVKF-UHFFFAOYSA-N 1 2 396.560 4.071 10 0 GIAELO CCNC(=O)c1coc(C[N@H+](Cc2ccccc2C)[C@H](C)c2ccccc2)n1 ZINC000036073527 570528558 /nfs/dbraw/zinc/52/85/58/570528558.db2.gz AZCUATWGGNMAAZ-GOSISDBHSA-N 1 2 377.488 4.496 10 0 GIAELO CCNC(=O)c1coc(C[N@@H+](Cc2ccccc2C)[C@H](C)c2ccccc2)n1 ZINC000036073527 570528563 /nfs/dbraw/zinc/52/85/63/570528563.db2.gz AZCUATWGGNMAAZ-GOSISDBHSA-N 1 2 377.488 4.496 10 0 GIAELO O=C(c1cccc(F)c1)N(Cc1[nH+]ccn1Cc1ccc(F)c(F)c1)CC1CC1 ZINC000006723888 570552541 /nfs/dbraw/zinc/55/25/41/570552541.db2.gz ROPCUTIAQAJXNL-UHFFFAOYSA-N 1 2 399.416 4.401 10 0 GIAELO O=C(N[C@@H]1CCCC[C@@H]1c1[nH+]cc2c(Cl)nccn21)OCc1ccccc1 ZINC000261508290 206286901 /nfs/dbraw/zinc/28/69/01/206286901.db2.gz RBFYGPFPKNPIMI-JKSUJKDBSA-N 1 2 384.867 4.335 10 0 GIAELO Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000058604152 136155593 /nfs/dbraw/zinc/15/55/93/136155593.db2.gz IRVSVOGCUKJKED-UHFFFAOYSA-N 1 2 384.886 4.295 10 0 GIAELO Cc1ccc(-c2nc(N[C@@H](C)c3ccncn3)ncc2-c2ccc(N)[nH+]c2)cc1 ZINC000065532035 570831907 /nfs/dbraw/zinc/83/19/07/570831907.db2.gz YPYJSRYSOFMDMP-HNNXBMFYSA-N 1 2 383.459 4.059 10 0 GIAELO Cc1cc(NC(=O)c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)s2)cc[nH+]1 ZINC000498050492 570909289 /nfs/dbraw/zinc/90/92/89/570909289.db2.gz FRZRJPUSVZWGKZ-UHFFFAOYSA-N 1 2 399.516 4.150 10 0 GIAELO COc1cc2c(cc1C[NH2+][C@@H](Cc1cccs1)c1nccs1)OCCO2 ZINC000019550632 207129838 /nfs/dbraw/zinc/12/98/38/207129838.db2.gz GPTYYCBYUBKNEE-HNNXBMFYSA-N 1 2 388.514 4.058 10 0 GIAELO O[C@@H]1CCCN(c2[nH+]c3ccccc3n2Cc2c(Cl)cccc2Cl)C1 ZINC000095078240 208152408 /nfs/dbraw/zinc/15/24/08/208152408.db2.gz KHZRNVRXYWMNIA-CYBMUJFWSA-N 1 2 376.287 4.353 10 0 GIAELO OCCCN1CC[NH+]([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022041429 207246186 /nfs/dbraw/zinc/24/61/86/207246186.db2.gz NYABMDNSLNOWKJ-LJQANCHMSA-N 1 2 388.964 4.088 10 0 GIAELO OCCCN1CC[NH+]([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 ZINC000022041432 207246293 /nfs/dbraw/zinc/24/62/93/207246293.db2.gz NYABMDNSLNOWKJ-IBGZPJMESA-N 1 2 388.964 4.088 10 0 GIAELO COc1cccc(CCC(=O)N2CCC(n3c(C)[nH+]c4ccc(C)cc43)CC2)c1 ZINC000022666540 207259951 /nfs/dbraw/zinc/25/99/51/207259951.db2.gz QRWINGNYIBRSIL-UHFFFAOYSA-N 1 2 391.515 4.458 10 0 GIAELO O[C@@H]1CCCN(c2[nH+]c3ccccc3n2Cc2ccc(Cl)c(Cl)c2)C1 ZINC000095078244 208153679 /nfs/dbraw/zinc/15/36/79/208153679.db2.gz IOCZAWZDCSPKGW-CQSZACIVSA-N 1 2 376.287 4.353 10 0 GIAELO c1ccc(Nc2nc(N3CCN(c4cccc[nH+]4)CC3)nc3ccccc32)cc1 ZINC000072260393 136167849 /nfs/dbraw/zinc/16/78/49/136167849.db2.gz MOHMWXJNOVAPBX-UHFFFAOYSA-N 1 2 382.471 4.095 10 0 GIAELO CSc1nc(C)c(C(=O)CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)s1 ZINC000033872261 526211080 /nfs/dbraw/zinc/21/10/80/526211080.db2.gz VOBCGQVMIKKBSD-UHFFFAOYSA-N 1 2 395.981 4.222 10 0 GIAELO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(Cl)s3)n2)cc1OC ZINC000015294290 207049108 /nfs/dbraw/zinc/04/91/08/207049108.db2.gz WVGKFZKKCPBTFQ-UHFFFAOYSA-N 1 2 379.869 4.101 10 0 GIAELO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(Cl)s3)n2)cc1OC ZINC000015294290 207049113 /nfs/dbraw/zinc/04/91/13/207049113.db2.gz WVGKFZKKCPBTFQ-UHFFFAOYSA-N 1 2 379.869 4.101 10 0 GIAELO CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000019942048 207172165 /nfs/dbraw/zinc/17/21/65/207172165.db2.gz HOTAPYPAXJNVKY-UHFFFAOYSA-N 1 2 386.517 4.078 10 0 GIAELO CCOC(=O)c1c(NC(=O)C(C)C)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000019942048 207172170 /nfs/dbraw/zinc/17/21/70/207172170.db2.gz HOTAPYPAXJNVKY-UHFFFAOYSA-N 1 2 386.517 4.078 10 0 GIAELO Cc1nc(CN2CC[NH+](Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cs1 ZINC000020205894 207181742 /nfs/dbraw/zinc/18/17/42/207181742.db2.gz DMICADMJVNTEAL-UHFFFAOYSA-N 1 2 382.533 4.041 10 0 GIAELO OC1CCN(c2[nH+]c3ccccc3n2Cc2c(Cl)cccc2Cl)CC1 ZINC000095078272 208151794 /nfs/dbraw/zinc/15/17/94/208151794.db2.gz XCFMYNKOUIDNHV-UHFFFAOYSA-N 1 2 376.287 4.353 10 0 GIAELO C[N@@H+](Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075066 208152185 /nfs/dbraw/zinc/15/21/85/208152185.db2.gz ZAQLKUIEVBZWKF-ZDUSSCGKSA-N 1 2 389.327 4.005 10 0 GIAELO C[N@H+](Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075066 208152190 /nfs/dbraw/zinc/15/21/90/208152190.db2.gz ZAQLKUIEVBZWKF-ZDUSSCGKSA-N 1 2 389.327 4.005 10 0 GIAELO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000224355812 136206842 /nfs/dbraw/zinc/20/68/42/136206842.db2.gz YZQWHZTXTGSNTR-UHFFFAOYSA-N 1 2 394.306 4.092 10 0 GIAELO CCOC(=O)N1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000006242265 560205519 /nfs/dbraw/zinc/20/55/19/560205519.db2.gz MMPSFTZVUMTCKV-UHFFFAOYSA-N 1 2 396.466 4.257 10 0 in-vitro GIAELO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc4cccnc43)c2C1 ZINC000014517897 210117228 /nfs/dbraw/zinc/11/72/28/210117228.db2.gz AOLBPQIYDHNEQQ-UHFFFAOYSA-N 1 2 382.467 4.413 10 0 GIAELO CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc4cccnc43)c2C1 ZINC000014517897 210117254 /nfs/dbraw/zinc/11/72/54/210117254.db2.gz AOLBPQIYDHNEQQ-UHFFFAOYSA-N 1 2 382.467 4.413 10 0 GIAELO O=C(c1ccc(F)cc1)[C@](O)(Cn1cc[nH+]c1)c1ccc(Cl)cc1Cl ZINC000026008573 209242352 /nfs/dbraw/zinc/24/23/52/209242352.db2.gz WXEOVZHKJXFPPI-SFHVURJKSA-N 1 2 379.218 4.100 10 0 GIAELO Cc1n[nH]c(C)c1CNc1ncc(-c2ccc(N)[nH+]c2)c(-c2ccc(C)cc2)n1 ZINC000067908139 211028745 /nfs/dbraw/zinc/02/87/45/211028745.db2.gz KNWAAUAPYRSATE-UHFFFAOYSA-N 1 2 385.475 4.048 10 0 GIAELO CC[C@@H](c1n[nH]c2c1C[N@H+](Cc1nc(C)c(C)nc1C)CC2)c1ccccc1 ZINC000020866692 210364202 /nfs/dbraw/zinc/36/42/02/210364202.db2.gz QSDKWUGZOOCNSB-LJQANCHMSA-N 1 2 375.520 4.225 10 0 GIAELO CC[C@@H](c1n[nH]c2c1C[N@@H+](Cc1nc(C)c(C)nc1C)CC2)c1ccccc1 ZINC000020866692 210364205 /nfs/dbraw/zinc/36/42/05/210364205.db2.gz QSDKWUGZOOCNSB-LJQANCHMSA-N 1 2 375.520 4.225 10 0 GIAELO CC[C@@H](c1[nH]nc2c1C[N@H+](Cc1nc(C)c(C)nc1C)CC2)c1ccccc1 ZINC000020866692 210364211 /nfs/dbraw/zinc/36/42/11/210364211.db2.gz QSDKWUGZOOCNSB-LJQANCHMSA-N 1 2 375.520 4.225 10 0 GIAELO CC[C@@H](c1[nH]nc2c1C[N@@H+](Cc1nc(C)c(C)nc1C)CC2)c1ccccc1 ZINC000020866692 210364214 /nfs/dbraw/zinc/36/42/14/210364214.db2.gz QSDKWUGZOOCNSB-LJQANCHMSA-N 1 2 375.520 4.225 10 0 GIAELO C[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1NC(=O)c1ccc(Br)o1 ZINC000226254068 136192645 /nfs/dbraw/zinc/19/26/45/136192645.db2.gz JVQRXIDHJYIHTP-LLVKDONJSA-N 1 2 378.270 4.255 10 0 GIAELO C[C@@H]1CCCC[N@H+]1c1ccc(N)cc1NC(=O)c1ccc(Br)o1 ZINC000226254068 136192646 /nfs/dbraw/zinc/19/26/46/136192646.db2.gz JVQRXIDHJYIHTP-LLVKDONJSA-N 1 2 378.270 4.255 10 0 GIAELO CC(=O)O[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c(C)[nH+]cc21 ZINC000022046904 570303289 /nfs/dbraw/zinc/30/32/89/570303289.db2.gz ZJOYIVDHZXTWKB-FQEVSTJZSA-N 1 2 383.810 4.386 10 0 in-vitro GIAELO O=S(=O)(c1ccc(Cl)cc1)C1CC[NH+](CCc2ccc(F)cc2F)CC1 ZINC000013472090 209234042 /nfs/dbraw/zinc/23/40/42/209234042.db2.gz BXUOVUWILQWARZ-UHFFFAOYSA-N 1 2 399.890 4.099 10 0 GIAELO COC(=O)c1cc(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)ccc1O ZINC000095080563 211218780 /nfs/dbraw/zinc/21/87/80/211218780.db2.gz CTTFXICXGSXPRG-UHFFFAOYSA-N 1 2 389.451 4.064 10 0 GIAELO Fc1ccc(-c2csc(C[N@@H+]3CCc4[nH]nc(-c5ccco5)c4C3)n2)cc1 ZINC000019773712 210295224 /nfs/dbraw/zinc/29/52/24/210295224.db2.gz BXRBVJPTRPAOJP-UHFFFAOYSA-N 1 2 380.448 4.491 10 0 GIAELO Fc1ccc(-c2csc(C[N@H+]3CCc4[nH]nc(-c5ccco5)c4C3)n2)cc1 ZINC000019773712 210295228 /nfs/dbraw/zinc/29/52/28/210295228.db2.gz BXRBVJPTRPAOJP-UHFFFAOYSA-N 1 2 380.448 4.491 10 0 GIAELO CC(=O)O[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2-n2c(C)[nH+]cc21 ZINC000022046909 570303232 /nfs/dbraw/zinc/30/32/32/570303232.db2.gz ZJOYIVDHZXTWKB-HXUWFJFHSA-N 1 2 383.810 4.386 10 0 in-vitro GIAELO CCNC(=O)c1coc(C[N@H+](Cc2ccccc2C)[C@@H](C)c2ccccc2)n1 ZINC000036073526 570528438 /nfs/dbraw/zinc/52/84/38/570528438.db2.gz AZCUATWGGNMAAZ-SFHVURJKSA-N 1 2 377.488 4.496 10 0 GIAELO CCNC(=O)c1coc(C[N@@H+](Cc2ccccc2C)[C@@H](C)c2ccccc2)n1 ZINC000036073526 570528442 /nfs/dbraw/zinc/52/84/42/570528442.db2.gz AZCUATWGGNMAAZ-SFHVURJKSA-N 1 2 377.488 4.496 10 0 GIAELO C[NH+](C)c1ccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)cc1 ZINC000028767850 209243001 /nfs/dbraw/zinc/24/30/01/209243001.db2.gz QWLDLPHCDZVZGO-UHFFFAOYSA-N 1 2 378.867 4.338 10 0 GIAELO Cc1oc(-c2ccc(C)cc2)nc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000055053466 212058859 /nfs/dbraw/zinc/05/88/59/212058859.db2.gz FVJXHMVLTPVLJH-NRFANRHFSA-N 1 2 389.499 4.239 10 0 GIAELO Cc1oc(-c2ccc(C)cc2)nc1C[N@H+](Cc1ccccc1)C[C@@H]1CCC(=O)N1 ZINC000055053466 212058861 /nfs/dbraw/zinc/05/88/61/212058861.db2.gz FVJXHMVLTPVLJH-NRFANRHFSA-N 1 2 389.499 4.239 10 0 GIAELO COc1cccc(OC)c1C[N@@H+]1CCOc2ccc([C@H](O)CC(C)C)cc2C1 ZINC000299759749 212034006 /nfs/dbraw/zinc/03/40/06/212034006.db2.gz OTMROEQVRPAAIB-HXUWFJFHSA-N 1 2 385.504 4.178 10 0 GIAELO COc1cccc(OC)c1C[N@H+]1CCOc2ccc([C@H](O)CC(C)C)cc2C1 ZINC000299759749 212034007 /nfs/dbraw/zinc/03/40/07/212034007.db2.gz OTMROEQVRPAAIB-HXUWFJFHSA-N 1 2 385.504 4.178 10 0 GIAELO OC1CCN(c2[nH+]c3ccccc3n2Cc2cc(Cl)ccc2Cl)CC1 ZINC000095078276 211218964 /nfs/dbraw/zinc/21/89/64/211218964.db2.gz CRQDZGYKBQXAAZ-UHFFFAOYSA-N 1 2 376.287 4.353 10 0 GIAELO Cc1[nH+]cc(Br)n1-c1cccc(NC(=O)C(Cl)(Cl)Cl)c1 ZINC000095081567 211218341 /nfs/dbraw/zinc/21/83/41/211218341.db2.gz GRBQOBYMWYQNFT-UHFFFAOYSA-N 1 2 397.487 4.252 10 0 GIAELO COc1ccccc1N1CC[NH+](Cc2nc(-c3ccc(F)cc3)oc2C)CC1 ZINC000060230315 136155810 /nfs/dbraw/zinc/15/58/10/136155810.db2.gz ZPSHPZXNHIREIH-UHFFFAOYSA-N 1 2 381.451 4.120 10 0 GIAELO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000224354880 136206894 /nfs/dbraw/zinc/20/68/94/136206894.db2.gz DMFPGHRPTUGACB-UHFFFAOYSA-N 1 2 381.524 4.083 10 0 GIAELO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@H+](Cc3ccccc3F)CCO2)cc1 ZINC000034691260 570296120 /nfs/dbraw/zinc/29/61/20/570296120.db2.gz MFVIIJKNOHRAHL-JOCHJYFZSA-N 1 2 398.522 4.133 10 0 GIAELO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3ccccc3F)CCO2)cc1 ZINC000034691260 570296121 /nfs/dbraw/zinc/29/61/21/570296121.db2.gz MFVIIJKNOHRAHL-JOCHJYFZSA-N 1 2 398.522 4.133 10 0 GIAELO O=C(C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1cccs1 ZINC000014980750 210139297 /nfs/dbraw/zinc/13/92/97/210139297.db2.gz VUBPBKFBKGOTSX-OAQYLSRUSA-N 1 2 378.497 4.000 10 0 GIAELO O=C(C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1)NCc1cccs1 ZINC000014980750 210139301 /nfs/dbraw/zinc/13/93/01/210139301.db2.gz VUBPBKFBKGOTSX-OAQYLSRUSA-N 1 2 378.497 4.000 10 0 GIAELO Cc1ccc2cc(CN(C(=O)Cc3ccsc3)C3CC3)c(N(C)C)[nH+]c2c1 ZINC000020600913 210351395 /nfs/dbraw/zinc/35/13/95/210351395.db2.gz HBFAFRVFLRWTGE-UHFFFAOYSA-N 1 2 379.529 4.404 10 0 GIAELO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1Cl ZINC000224144299 136206381 /nfs/dbraw/zinc/20/63/81/136206381.db2.gz ZRXFVVXMCXIXKF-UHFFFAOYSA-N 1 2 388.903 4.139 10 0 GIAELO O=c1c2cc(Cl)ccc2[nH]c(=S)n1C1CC[NH+](Cc2ccccc2)CC1 ZINC000073659603 527460210 /nfs/dbraw/zinc/46/02/10/527460210.db2.gz DPUFPKCQZIRNCT-UHFFFAOYSA-N 1 2 385.920 4.176 10 0 GIAELO COc1ccc(C(=O)Nc2cc([N@@H+]3CCCC[C@H]3C)c(C)cc2N)cc1OC ZINC000226331415 536776442 /nfs/dbraw/zinc/77/64/42/536776442.db2.gz XKBCBFYRIKXVSY-OAHLLOKOSA-N 1 2 383.492 4.226 10 0 GIAELO COc1ccc(C(=O)Nc2cc([N@H+]3CCCC[C@H]3C)c(C)cc2N)cc1OC ZINC000226331415 536776447 /nfs/dbraw/zinc/77/64/47/536776447.db2.gz XKBCBFYRIKXVSY-OAHLLOKOSA-N 1 2 383.492 4.226 10 0 GIAELO COCc1ccc(C[N@@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)o1 ZINC000012162236 570618940 /nfs/dbraw/zinc/61/89/40/570618940.db2.gz DBKFGQCHKYNZTN-HSZRJFAPSA-N 1 2 393.483 4.097 10 0 GIAELO COCc1ccc(C[N@H+]2CCOc3ccc([C@H](O)Cc4ccccc4)cc3C2)o1 ZINC000012162236 570618945 /nfs/dbraw/zinc/61/89/45/570618945.db2.gz DBKFGQCHKYNZTN-HSZRJFAPSA-N 1 2 393.483 4.097 10 0 GIAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1ccc(OC)c(Br)c1 ZINC000226261745 209187815 /nfs/dbraw/zinc/18/78/15/209187815.db2.gz LHXUWYXSOOQWAX-UHFFFAOYSA-N 1 2 392.297 4.138 10 0 GIAELO CC(C)[N@H+](Cc1nc(C(=O)NCc2ccccc2)co1)Cc1ccc(F)cc1 ZINC000096280074 211329348 /nfs/dbraw/zinc/32/93/48/211329348.db2.gz YTOXUSGMGUGVHM-UHFFFAOYSA-N 1 2 381.451 4.154 10 0 GIAELO CC(C)[N@@H+](Cc1nc(C(=O)NCc2ccccc2)co1)Cc1ccc(F)cc1 ZINC000096280074 211329351 /nfs/dbraw/zinc/32/93/51/211329351.db2.gz YTOXUSGMGUGVHM-UHFFFAOYSA-N 1 2 381.451 4.154 10 0 GIAELO O[C@@H]1CCCN(c2[nH+]c3ccccc3n2Cc2ccc(Cl)cc2Cl)C1 ZINC000095078258 211219006 /nfs/dbraw/zinc/21/90/06/211219006.db2.gz XFNBPGPFJSJCHQ-OAHLLOKOSA-N 1 2 376.287 4.353 10 0 GIAELO Clc1nc(N2CCc3ccccc3C2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000057345876 527004530 /nfs/dbraw/zinc/00/45/30/527004530.db2.gz ZKPQIIRLKURHEK-UHFFFAOYSA-N 1 2 390.918 4.251 10 0 GIAELO Clc1nc(N2CCc3ccccc3C2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000057345876 527004537 /nfs/dbraw/zinc/00/45/37/527004537.db2.gz ZKPQIIRLKURHEK-UHFFFAOYSA-N 1 2 390.918 4.251 10 0 GIAELO Cc1nc(Nc2ncnc(Nc3cccc4[nH+]c(C)ccc34)c2N)sc1C ZINC000040783161 210794808 /nfs/dbraw/zinc/79/48/08/210794808.db2.gz MXQVUHYWFZQGGA-UHFFFAOYSA-N 1 2 377.477 4.476 10 0 GIAELO COc1cc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH]cc[nH+]2)ccc1F ZINC000011934011 221138161 /nfs/dbraw/zinc/13/81/61/221138161.db2.gz IMYWAIXHSWDQJW-QFIPXVFZSA-N 1 2 376.435 4.186 10 0 GIAELO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Nc1ccc2ccccc2c1 ZINC000224144612 136206290 /nfs/dbraw/zinc/20/62/90/136206290.db2.gz YWBZFAZJKPXEEV-UHFFFAOYSA-N 1 2 390.491 4.330 10 0 GIAELO O[C@@H]1CCCN(c2[nH+]c3ccccc3n2Cc2cc(Cl)ccc2Cl)C1 ZINC000095078248 211218317 /nfs/dbraw/zinc/21/83/17/211218317.db2.gz XEMISQMHHCPJFN-OAHLLOKOSA-N 1 2 376.287 4.353 10 0 GIAELO Clc1cccc(-c2noc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)n2)c1 ZINC000020210071 210322389 /nfs/dbraw/zinc/32/23/89/210322389.db2.gz VGXBDHNMCPEWMI-VMPITWQZSA-N 1 2 394.906 4.221 10 0 GIAELO COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2[nH]cc[nH+]2)c(F)c1 ZINC000011933586 221137964 /nfs/dbraw/zinc/13/79/64/221137964.db2.gz YHBRYXPYZOEKQF-QFIPXVFZSA-N 1 2 376.435 4.186 10 0 GIAELO CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)nc[nH+]1 ZINC000065244818 535193057 /nfs/dbraw/zinc/19/30/57/535193057.db2.gz JBYAUWWMAWWUOO-RBUKOAKNSA-N 1 2 395.551 4.173 10 0 GIAELO CCCNc1cc(N2CCC[C@H](CCC(=O)N[C@@H](C)c3ccccc3)C2)[nH+]cn1 ZINC000065244818 535193060 /nfs/dbraw/zinc/19/30/60/535193060.db2.gz JBYAUWWMAWWUOO-RBUKOAKNSA-N 1 2 395.551 4.173 10 0 GIAELO O=C(C1CC1)N(Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl)CC1CC1 ZINC000006689953 570533408 /nfs/dbraw/zinc/53/34/08/570533408.db2.gz ZHDLAWMNZKNTST-UHFFFAOYSA-N 1 2 378.303 4.387 10 0 GIAELO CC[NH+](CC)c1ccc(N)cc1NC(=O)c1cc(Br)ccc1OC ZINC000226261436 212114118 /nfs/dbraw/zinc/11/41/18/212114118.db2.gz ZYPLSKJJCMEDED-UHFFFAOYSA-N 1 2 392.297 4.138 10 0 GIAELO Clc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c(Cl)c1 ZINC000013569044 221274168 /nfs/dbraw/zinc/27/41/68/221274168.db2.gz MPCIMMBRNCFKDI-UHFFFAOYSA-N 1 2 394.346 4.113 10 0 GIAELO Clc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c(Cl)c1 ZINC000013569044 221274171 /nfs/dbraw/zinc/27/41/71/221274171.db2.gz MPCIMMBRNCFKDI-UHFFFAOYSA-N 1 2 394.346 4.113 10 0 GIAELO CCC(=O)N(Cc1ccco1)Cc1[nH+]ccn1Cc1ccc(C(F)(F)F)cc1 ZINC000006690326 570533301 /nfs/dbraw/zinc/53/33/01/570533301.db2.gz HIUCBKMJFIXIAO-UHFFFAOYSA-N 1 2 391.393 4.482 10 0 GIAELO O=C(C[NH+]1Cc2ccccc2C1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006733395 212148591 /nfs/dbraw/zinc/14/85/91/212148591.db2.gz NTAUBWQDOBNPEC-UHFFFAOYSA-N 1 2 378.422 4.186 10 0 GIAELO Clc1ccc(C[NH+]2CCN(Cc3cnc(C4CCCCC4)nc3)CC2)cc1 ZINC000072169948 222214439 /nfs/dbraw/zinc/21/44/39/222214439.db2.gz UEOTUJABNLEQPV-UHFFFAOYSA-N 1 2 384.955 4.496 10 0 GIAELO C[N@H+](Cc1nn2c(nnc2-c2cc3ccccc3o2)s1)Cc1ccccc1 ZINC000096194077 222397247 /nfs/dbraw/zinc/39/72/47/222397247.db2.gz RUQABSKVKOKJOT-UHFFFAOYSA-N 1 2 375.457 4.231 10 0 GIAELO C[N@@H+](Cc1nn2c(nnc2-c2cc3ccccc3o2)s1)Cc1ccccc1 ZINC000096194077 222397250 /nfs/dbraw/zinc/39/72/50/222397250.db2.gz RUQABSKVKOKJOT-UHFFFAOYSA-N 1 2 375.457 4.231 10 0 GIAELO COc1ccc(-c2nc(CN3CCCC[C@@H]3c3[nH+]ccn3C)c(C)o2)c(F)c1 ZINC000095520530 222346016 /nfs/dbraw/zinc/34/60/16/222346016.db2.gz LTZZYZFCPRBFJS-LJQANCHMSA-N 1 2 384.455 4.258 10 0 GIAELO Cc1nc(C(=O)N(Cc2cc3ccc(C)cc3[nH+]c2N(C)C)C2CC2)cs1 ZINC000012080040 221147871 /nfs/dbraw/zinc/14/78/71/221147871.db2.gz PJXOIBRDQOHYPS-UHFFFAOYSA-N 1 2 380.517 4.179 10 0 GIAELO COC(=O)c1cccn2cc(C[N@@H+]3CCC[C@H]3c3nc4ccccc4s3)nc12 ZINC000012580260 221210472 /nfs/dbraw/zinc/21/04/72/221210472.db2.gz HGSWGZWYIOMVKU-KRWDZBQOSA-N 1 2 392.484 4.068 10 0 GIAELO COC(=O)c1cccn2cc(C[N@H+]3CCC[C@H]3c3nc4ccccc4s3)nc12 ZINC000012580260 221210473 /nfs/dbraw/zinc/21/04/73/221210473.db2.gz HGSWGZWYIOMVKU-KRWDZBQOSA-N 1 2 392.484 4.068 10 0 GIAELO CC1CC[NH+](c2ccc(N)cc2NC(=O)c2ccc(Br)o2)CC1 ZINC000226254042 136192665 /nfs/dbraw/zinc/19/26/65/136192665.db2.gz LXDHIDZRPUNJPZ-UHFFFAOYSA-N 1 2 378.270 4.113 10 0 GIAELO C[N@@H+](Cc1cnc(Cl)nc1Cl)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075065 222329303 /nfs/dbraw/zinc/32/93/03/222329303.db2.gz ZAQLKUIEVBZWKF-CYBMUJFWSA-N 1 2 389.327 4.005 10 0 GIAELO C[N@H+](Cc1cnc(Cl)nc1Cl)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095075065 222329307 /nfs/dbraw/zinc/32/93/07/222329307.db2.gz ZAQLKUIEVBZWKF-CYBMUJFWSA-N 1 2 389.327 4.005 10 0 GIAELO C[C@@H]1Cc2c3cc(F)c(Cl)cc3[nH]c2[C@]2([NH2+]1)C(=O)Nc1ccc(Cl)cc12 ZINC000043208569 570232967 /nfs/dbraw/zinc/23/29/67/570232967.db2.gz CKLPLPZSUQEDRT-YLVJLNSGSA-N 1 2 390.245 4.344 10 0 GIAELO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000224352165 570450059 /nfs/dbraw/zinc/45/00/59/570450059.db2.gz DXAUQJYODXSOOR-UHFFFAOYSA-N 1 2 387.487 4.062 10 0 GIAELO Cn1c(C[N@@H+]2CCc3onc(-c4ccc(Cl)cc4)c3C2)nc2ccccc21 ZINC000011820350 221129233 /nfs/dbraw/zinc/12/92/33/221129233.db2.gz 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Cc1ccc(Nc2nc(N3CCN(c4cccc[nH+]4)CC3)nc3ccccc32)cc1 ZINC000072260490 136167846 /nfs/dbraw/zinc/16/78/46/136167846.db2.gz QTLRLPTZRCUJNV-UHFFFAOYSA-N 1 2 396.498 4.403 10 0 GIAELO COc1c(C)cnc(C[N@@H+]2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)c1C ZINC000067846879 222164146 /nfs/dbraw/zinc/16/41/46/222164146.db2.gz ZZUXHBRPOSOBHR-UHFFFAOYSA-N 1 2 382.895 4.309 10 0 GIAELO COc1c(C)cnc(C[N@H+]2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)c1C ZINC000067846879 222164148 /nfs/dbraw/zinc/16/41/48/222164148.db2.gz ZZUXHBRPOSOBHR-UHFFFAOYSA-N 1 2 382.895 4.309 10 0 GIAELO O[C@H]1CCCN(c2[nH+]c3ccccc3n2Cc2c(Cl)cccc2Cl)C1 ZINC000095078239 222329540 /nfs/dbraw/zinc/32/95/40/222329540.db2.gz KHZRNVRXYWMNIA-ZDUSSCGKSA-N 1 2 376.287 4.353 10 0 GIAELO O=C(NCc1ccc(Cl)cc1)C1CCN(c2[nH+]cccc2-n2cccc2)CC1 ZINC000033034549 570670987 /nfs/dbraw/zinc/67/09/87/570670987.db2.gz WNFRMVPOGRVMOW-UHFFFAOYSA-N 1 2 394.906 4.059 10 0 GIAELO CCc1[nH]c(C[N@@H+](C)CC2CC[NH+](CCc3ccc(Cl)cc3)CC2)c(C)[nH+]1 ZINC000012430230 221192323 /nfs/dbraw/zinc/19/23/23/221192323.db2.gz CERIDMFGJBZKKV-UHFFFAOYSA-N 1 2 388.987 4.320 10 0 GIAELO COc1cc2oc(=O)c3c(c2cc1OC)CC[N@@H+](Cc1ccc(Cl)cc1)C3 ZINC000013764623 221288045 /nfs/dbraw/zinc/28/80/45/221288045.db2.gz VEPYYOGIARRSSX-UHFFFAOYSA-N 1 2 385.847 4.022 10 0 GIAELO COc1cc2oc(=O)c3c(c2cc1OC)CC[N@H+](Cc1ccc(Cl)cc1)C3 ZINC000013764623 221288049 /nfs/dbraw/zinc/28/80/49/221288049.db2.gz VEPYYOGIARRSSX-UHFFFAOYSA-N 1 2 385.847 4.022 10 0 GIAELO CC[C@@H]1C[NH+](Cc2cc(C)c(I)cc2C)C[C@@H](CC)O1 ZINC000675075933 570910141 /nfs/dbraw/zinc/91/01/41/570910141.db2.gz XGDMUGXZOFSNED-HZPDHXFCSA-N 1 2 387.305 4.297 10 0 GIAELO