smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([C@H](C)[NH2+][C@H](c2ccccc2)c2ccncc2)cnn1-c1ccccn1 ZINC000156249810 1086656070 /nfs/dbraw/zinc/65/60/70/1086656070.db2.gz UAJQUTWOWLYXJH-GAJHUEQPSA-N 1 1 369.472 4.411 10 0 FIAEMO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000157478098 1086934877 /nfs/dbraw/zinc/93/48/77/1086934877.db2.gz BRKHFCLPJVNOGD-MRXNPFEDSA-N 1 1 370.497 4.084 10 0 FIAEMO Cc1ccccc1C1(c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)CCCCC1 ZINC000329549674 1087024013 /nfs/dbraw/zinc/02/40/13/1087024013.db2.gz BPHHYGUICSJJIU-MJGOQNOKSA-N 1 1 367.493 4.164 10 0 FIAEMO Cc1ccccc1C1(c2nc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)no2)CCCCC1 ZINC000329549674 1087024016 /nfs/dbraw/zinc/02/40/16/1087024016.db2.gz BPHHYGUICSJJIU-MJGOQNOKSA-N 1 1 367.493 4.164 10 0 FIAEMO Clc1cccc(C2(c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)CCCC2)c1 ZINC000329703817 1087204395 /nfs/dbraw/zinc/20/43/95/1087204395.db2.gz IMGOWRGHNIQBDB-DLBZAZTESA-N 1 1 373.884 4.119 10 0 FIAEMO Clc1cccc(C2(c3nc([C@H]4C[N@H+]5CCC[C@H]5CO4)no3)CCCC2)c1 ZINC000329703817 1087204403 /nfs/dbraw/zinc/20/44/03/1087204403.db2.gz IMGOWRGHNIQBDB-DLBZAZTESA-N 1 1 373.884 4.119 10 0 FIAEMO Cc1ccc(N2CCC(NC(=O)Nc3ccccc3C(C)(C)C)CC2)[nH+]c1 ZINC000174424464 1089381169 /nfs/dbraw/zinc/38/11/69/1089381169.db2.gz QBHWCWAJRDQCJY-UHFFFAOYSA-N 1 1 366.509 4.478 10 0 FIAEMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)o2)cc1C ZINC000248119505 1092371614 /nfs/dbraw/zinc/37/16/14/1092371614.db2.gz NEROAWMFERKOLA-CDXJDZJCSA-N 1 1 355.482 4.041 10 0 FIAEMO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000247344616 1092632941 /nfs/dbraw/zinc/63/29/41/1092632941.db2.gz XTPJMWNFPGICHD-NZQKXSOJSA-N 1 1 364.489 4.066 10 0 FIAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](c2ccccc2)C(C)C)C1 ZINC000152008046 1099375334 /nfs/dbraw/zinc/37/53/34/1099375334.db2.gz CXECUSPXQOEVQG-ICSRJNTNSA-N 1 1 354.498 4.189 10 0 FIAEMO CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1 ZINC000246767099 1099375513 /nfs/dbraw/zinc/37/55/13/1099375513.db2.gz WIEAHZAXSGFDOP-FUHWJXTLSA-N 1 1 374.506 4.141 10 0 FIAEMO C[N@H+]1CCC[C@H]2CN(C(=O)Nc3ccccc3CCC(F)(F)F)CC[C@H]21 ZINC000248145365 1099396514 /nfs/dbraw/zinc/39/65/14/1099396514.db2.gz QCVUVXWEXJCLIP-DOTOQJQBSA-N 1 1 369.431 4.130 10 0 FIAEMO CC(=O)Nc1nc(CNc2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cs1 ZINC000177229185 1101488998 /nfs/dbraw/zinc/48/89/98/1101488998.db2.gz ILPLEYJFGDEVQS-ZDUSSCGKSA-N 1 1 358.511 4.074 10 0 FIAEMO C[C@H]([NH2+]Cc1ncc(-c2cccc(F)c2)o1)c1ccc2c(c1)CCC(=O)N2 ZINC000179975634 1101568630 /nfs/dbraw/zinc/56/86/30/1101568630.db2.gz NXHXAYVHWQMSMT-ZDUSSCGKSA-N 1 1 365.408 4.216 10 0 FIAEMO Cc1nc([C@H]2CCCN2CC[N@@H+]2CCC[C@@H]2c2csc(C)n2)cs1 ZINC000189819745 1101905152 /nfs/dbraw/zinc/90/51/52/1101905152.db2.gz NSERYRIJIIVATG-QZTJIDSGSA-N 1 1 362.568 4.190 10 0 FIAEMO Cc1nc([C@H]2CCCN2CC[N@H+]2CCC[C@@H]2c2csc(C)n2)cs1 ZINC000189819745 1101905157 /nfs/dbraw/zinc/90/51/57/1101905157.db2.gz NSERYRIJIIVATG-QZTJIDSGSA-N 1 1 362.568 4.190 10 0 FIAEMO c1ccc([C@H]2CCCC[C@H]2c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000333799597 1102235916 /nfs/dbraw/zinc/23/59/16/1102235916.db2.gz FXCVRPXURRQUAD-WJFTUGDTSA-N 1 1 353.466 4.047 10 0 FIAEMO c1ccc([C@H]2CCCC[C@H]2c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc1 ZINC000333799597 1102235924 /nfs/dbraw/zinc/23/59/24/1102235924.db2.gz FXCVRPXURRQUAD-WJFTUGDTSA-N 1 1 353.466 4.047 10 0 FIAEMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)C12CCCC2 ZINC000121145536 1102642204 /nfs/dbraw/zinc/64/22/04/1102642204.db2.gz KIJSRQJFKDWPBS-ROUUACIJSA-N 1 1 355.482 4.215 10 0 FIAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000151927312 1103033620 /nfs/dbraw/zinc/03/36/20/1103033620.db2.gz PBRFSUSAYHUOJR-VQIMIIECSA-N 1 1 354.498 4.116 10 0 FIAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000151927154 1103034088 /nfs/dbraw/zinc/03/40/88/1103034088.db2.gz PBRFSUSAYHUOJR-APWZRJJASA-N 1 1 354.498 4.116 10 0 FIAEMO C[C@H](Nc1ccc2c(c1)C[N@H+](C)C2)C(=O)Nc1ccccc1C(F)(F)F ZINC000194517373 1103071370 /nfs/dbraw/zinc/07/13/70/1103071370.db2.gz MOYCILKNJZTAHN-LBPRGKRZSA-N 1 1 363.383 4.090 10 0 FIAEMO C[C@H](C[NH2+][C@H](c1cccs1)c1ncc[nH]1)c1nc(-c2ccccc2)no1 ZINC000195084460 1103081100 /nfs/dbraw/zinc/08/11/00/1103081100.db2.gz DKRIYTGDLMQWKF-CZUORRHYSA-N 1 1 365.462 4.004 10 0 FIAEMO Clc1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c2c(c1)COCO2 ZINC000195354071 1103085065 /nfs/dbraw/zinc/08/50/65/1103085065.db2.gz BHRLFPHHIGEKEH-GFCCVEGCSA-N 1 1 350.871 4.043 10 0 FIAEMO Cc1cccc(N2CCC(NC(=O)c3cc(Cl)sc3Cl)CC2)[nH+]1 ZINC000116668839 1109830486 /nfs/dbraw/zinc/83/04/86/1109830486.db2.gz RAWLVVZATIMELU-UHFFFAOYSA-N 1 1 370.305 4.157 10 0 FIAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](C)c2cc(C)cc(C)c2)C1 ZINC000152970643 1113842741 /nfs/dbraw/zinc/84/27/41/1113842741.db2.gz PZXHZDSHESOLPJ-MJGOQNOKSA-N 1 1 354.498 4.170 10 0 FIAEMO Cc1ccc(CNc2[nH+]cnc(NC34CC5CC(CC(C5)C3)C4)c2N)cc1 ZINC000040755729 205079945 /nfs/dbraw/zinc/07/99/45/205079945.db2.gz LNHBBDLLDLTQGW-UHFFFAOYSA-N 1 1 363.509 4.360 10 0 FIAEMO Cc1ccc(CNc2nc[nH+]c(NC34CC5CC(CC(C5)C3)C4)c2N)cc1 ZINC000040755729 205079949 /nfs/dbraw/zinc/07/99/49/205079949.db2.gz LNHBBDLLDLTQGW-UHFFFAOYSA-N 1 1 363.509 4.360 10 0 FIAEMO CCOc1cc(CNCC[NH+](CC)CC)ccc1OCc1ccc(C)cc1 ZINC000020874388 520714414 /nfs/dbraw/zinc/71/44/14/520714414.db2.gz LHNASXSXOCPJCV-UHFFFAOYSA-N 1 1 370.537 4.404 10 0 FIAEMO CO[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)c1ccccc1 ZINC000390856528 568354656 /nfs/dbraw/zinc/35/46/56/568354656.db2.gz KUDADVQDLHAFNJ-UCBGAZFYSA-N 1 1 364.533 4.333 10 0 FIAEMO Cc1ccccc1C[C@@]1(CO)CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000015071323 570831408 /nfs/dbraw/zinc/83/14/08/570831408.db2.gz KYKRKJORORNGTH-DEOSSOPVSA-N 1 1 360.501 4.360 10 0 FIAEMO C[N@H+]1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccc(O)cc1 ZINC000077303364 571277795 /nfs/dbraw/zinc/27/77/95/571277795.db2.gz ATWQNFCHQINGLW-PRDNPTHXSA-N 1 1 364.489 4.461 10 0 in-vitro FIAEMO CCc1cccc(CC)c1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000156541530 1086711380 /nfs/dbraw/zinc/71/13/80/1086711380.db2.gz JGIJWTGBGMZGDY-UHFFFAOYSA-N 1 1 354.498 4.032 10 0 FIAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccccc2OC(C)(C)C)CC1 ZINC000158073854 1087019447 /nfs/dbraw/zinc/01/94/47/1087019447.db2.gz POMKCUPNALYPFC-UHFFFAOYSA-N 1 1 370.497 4.084 10 0 FIAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)C2)c1 ZINC000247779587 1087232670 /nfs/dbraw/zinc/23/26/70/1087232670.db2.gz ROQXRYMZBHQNJJ-DOTOQJQBSA-N 1 1 369.444 4.087 10 0 FIAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)C2)c1 ZINC000247779587 1087232673 /nfs/dbraw/zinc/23/26/73/1087232673.db2.gz ROQXRYMZBHQNJJ-DOTOQJQBSA-N 1 1 369.444 4.087 10 0 FIAEMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330142754 1089694389 /nfs/dbraw/zinc/69/43/89/1089694389.db2.gz YLPRKZOLEAMPBI-FRIZHTMISA-N 1 1 361.873 4.078 10 0 FIAEMO Cc1cnn([C@H]2CCC[N@@H+]([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)c1 ZINC000329175604 1094767633 /nfs/dbraw/zinc/76/76/33/1094767633.db2.gz MMAZTTUAEOYJHG-PBHICJAKSA-N 1 1 371.872 4.293 10 0 FIAEMO Cc1cnn([C@H]2CCC[N@H+]([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)C2)c1 ZINC000329175604 1094767647 /nfs/dbraw/zinc/76/76/47/1094767647.db2.gz MMAZTTUAEOYJHG-PBHICJAKSA-N 1 1 371.872 4.293 10 0 FIAEMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc(F)c(Cl)cc3Cl)n1)OC2 ZINC000329616183 1095004544 /nfs/dbraw/zinc/00/45/44/1095004544.db2.gz SJLQSULEJQZNES-BBRMVZONSA-N 1 1 372.227 4.108 10 0 FIAEMO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000330204208 1095417044 /nfs/dbraw/zinc/41/70/44/1095417044.db2.gz BLLTXGXFVYDFLN-TZTCFGBESA-N 1 1 368.264 4.262 10 0 FIAEMO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2n1C(F)F)c1ccco1 ZINC000246397205 1099314359 /nfs/dbraw/zinc/31/43/59/1099314359.db2.gz BGLOSXKYPQYRMB-XJKSGUPXSA-N 1 1 361.392 4.113 10 0 FIAEMO O[C@H](C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2n1C(F)F)c1ccco1 ZINC000246397205 1099314371 /nfs/dbraw/zinc/31/43/71/1099314371.db2.gz BGLOSXKYPQYRMB-XJKSGUPXSA-N 1 1 361.392 4.113 10 0 FIAEMO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000246992809 1099380297 /nfs/dbraw/zinc/38/02/97/1099380297.db2.gz WLLNSNDEOAKJKN-JEBQAFNWSA-N 1 1 364.486 4.078 10 0 FIAEMO CO[C@H](C)c1nc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)cs1 ZINC000246992809 1099380310 /nfs/dbraw/zinc/38/03/10/1099380310.db2.gz WLLNSNDEOAKJKN-JEBQAFNWSA-N 1 1 364.486 4.078 10 0 FIAEMO CO[C@H](C)c1nc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cs1 ZINC000247340283 1099387552 /nfs/dbraw/zinc/38/75/52/1099387552.db2.gz ZTJXSLMUDIKSGE-VHDGCEQUSA-N 1 1 352.525 4.000 10 0 FIAEMO CO[C@H](C)c1nc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cs1 ZINC000247340283 1099387562 /nfs/dbraw/zinc/38/75/62/1099387562.db2.gz ZTJXSLMUDIKSGE-VHDGCEQUSA-N 1 1 352.525 4.000 10 0 FIAEMO O[C@H](C[C@H]1CCCCC[N@H+]1Cc1nnc(-c2ccccc2)o1)c1ccco1 ZINC000247348836 1099390179 /nfs/dbraw/zinc/39/01/79/1099390179.db2.gz GXAXHRHBITTZJI-QZTJIDSGSA-N 1 1 367.449 4.198 10 0 FIAEMO CC1(C)OCc2cc(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3ccco3)ccc2O1 ZINC000249067333 1099415135 /nfs/dbraw/zinc/41/51/35/1099415135.db2.gz ZOWUPQOXZODCQM-QZTJIDSGSA-N 1 1 357.450 4.013 10 0 FIAEMO CCSc1cccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000178455938 1101526876 /nfs/dbraw/zinc/52/68/76/1101526876.db2.gz IJUXWKIXQCGKSP-UHFFFAOYSA-N 1 1 358.511 4.019 10 0 FIAEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2ncc(-c3ccccc3)cn2)cc1 ZINC000186055562 1101754615 /nfs/dbraw/zinc/75/46/15/1101754615.db2.gz CUNBBLKHBSHXEH-QGZVFWFLSA-N 1 1 369.472 4.489 10 0 FIAEMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186544678 1101770452 /nfs/dbraw/zinc/77/04/52/1101770452.db2.gz QJFHKGHKJCZYDP-AWEZNQCLSA-N 1 1 361.449 4.331 10 0 FIAEMO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000189247587 1101862912 /nfs/dbraw/zinc/86/29/12/1101862912.db2.gz UTECWXYLGIHBCZ-DXBWTPJFSA-N 1 1 355.482 4.114 10 0 FIAEMO COCCC1(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)CCCCC1 ZINC000189824907 1101905558 /nfs/dbraw/zinc/90/55/58/1101905558.db2.gz UDWKMSTYCYBUEH-UHFFFAOYSA-N 1 1 373.585 4.007 10 0 FIAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2csc(-c3ccsc3)n2)C1 ZINC000111613327 1102519089 /nfs/dbraw/zinc/51/90/89/1102519089.db2.gz RFRFOXUEPYBUCX-CQSZACIVSA-N 1 1 372.519 4.108 10 0 FIAEMO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(Cl)c1 ZINC000116474911 1102555442 /nfs/dbraw/zinc/55/54/42/1102555442.db2.gz PNZPIOVGDZTYLT-MAUKXSAKSA-N 1 1 372.900 4.076 10 0 FIAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000151918296 1103019799 /nfs/dbraw/zinc/01/97/99/1103019799.db2.gz SFXHYGBUCBEHAD-WMLDXEAASA-N 1 1 360.889 4.207 10 0 FIAEMO Fc1ccc(-c2nc(CC[NH2+][C@@H](c3cccs3)c3ncc[nH]3)co2)cc1 ZINC000195064779 1103080706 /nfs/dbraw/zinc/08/07/06/1103080706.db2.gz MVMXWZOHUGRQST-KRWDZBQOSA-N 1 1 368.437 4.187 10 0 FIAEMO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248202555 1106790532 /nfs/dbraw/zinc/79/05/32/1106790532.db2.gz ZENYROBCQTWIMT-NZQKXSOJSA-N 1 1 364.489 4.066 10 0 FIAEMO Cc1csc([C@@H]2CCC[N@H+]([C@H](C)c3nnc(-c4ccccc4)o3)C2)n1 ZINC000249919019 1112491079 /nfs/dbraw/zinc/49/10/79/1112491079.db2.gz YGFQZTKICFZRKS-GDBMZVCRSA-N 1 1 354.479 4.442 10 0 FIAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(C)c(F)c2)C1 ZINC000156768303 1113849783 /nfs/dbraw/zinc/84/97/83/1113849783.db2.gz YBFMVNYYLLSQDG-WBVHZDCISA-N 1 1 358.461 4.001 10 0 FIAEMO Nc1ccc(Nc2ccccc2I)c2cc[nH+]cc12 ZINC000035332753 204240093 /nfs/dbraw/zinc/24/00/93/204240093.db2.gz DPCKMBFQXBGZGL-UHFFFAOYSA-N 1 1 361.186 4.165 10 0 FIAEMO CC(C)(C)OC(=O)N1CC([NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000091353115 518798732 /nfs/dbraw/zinc/79/87/32/518798732.db2.gz PHHVZNPQMJAGKY-UHFFFAOYSA-N 1 1 352.478 4.308 10 0 FIAEMO Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2C[C@@H]2c2cccc3ccccc32)CC1 ZINC000162655386 568001792 /nfs/dbraw/zinc/00/17/92/568001792.db2.gz XPKONQKSEZBLPL-YADHBBJMSA-N 1 1 373.500 4.158 10 0 FIAEMO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1F ZINC000228489193 568081168 /nfs/dbraw/zinc/08/11/68/568081168.db2.gz TWPGILKLBRLQMV-BHYGNILZSA-N 1 1 356.279 4.104 10 0 FIAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000022935859 570954080 /nfs/dbraw/zinc/95/40/80/570954080.db2.gz WDUBWKXFTWYXBN-NRFANRHFSA-N 1 1 368.521 4.157 10 0 FIAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000022935859 570954083 /nfs/dbraw/zinc/95/40/83/570954083.db2.gz WDUBWKXFTWYXBN-NRFANRHFSA-N 1 1 368.521 4.157 10 0 FIAEMO C[N@H+](Cc1ccc2ncccc2c1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328642125 571325822 /nfs/dbraw/zinc/32/58/22/571325822.db2.gz QVZNFAJIGKFDEJ-HNNXBMFYSA-N 1 1 374.410 4.145 10 0 FIAEMO O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@H]1c1ccco1 ZINC000408133359 1085212732 /nfs/dbraw/zinc/21/27/32/1085212732.db2.gz OQTGPXPHSAWEOP-IEBWSBKVSA-N 1 1 367.493 4.450 10 0 FIAEMO CC[C@H](C)Oc1ccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000157478242 1086934997 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Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000175616333 1119513079 /nfs/dbraw/zinc/51/30/79/1119513079.db2.gz DTNGELDFFNCBPG-HRAATJIYSA-N 1 1 366.509 4.006 10 0 FIAEMO Cc1csc(-c2nc3sc(C[N@@H+]4[C@H](C)CCC[C@@H]4C)cc3c(N)n2)n1 ZINC000118590699 209348753 /nfs/dbraw/zinc/34/87/53/209348753.db2.gz JWUSYBDXQVHORB-TXEJJXNPSA-N 1 1 373.551 4.468 10 0 FIAEMO CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000096268683 209147468 /nfs/dbraw/zinc/14/74/68/209147468.db2.gz ZGAFDTTUZIYCBU-QGZVFWFLSA-N 1 1 374.834 4.193 10 0 FIAEMO CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000096268683 209147470 /nfs/dbraw/zinc/14/74/70/209147470.db2.gz ZGAFDTTUZIYCBU-QGZVFWFLSA-N 1 1 374.834 4.193 10 0 FIAEMO O=C(CCC(F)(F)F)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000011814258 207321798 /nfs/dbraw/zinc/32/17/98/207321798.db2.gz YOIUNGPOCDGFNX-SFHVURJKSA-N 1 1 360.464 4.224 10 0 FIAEMO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000012306755 207357573 /nfs/dbraw/zinc/35/75/73/207357573.db2.gz MHYOJCCXXFOJOM-FQEVSTJZSA-N 1 1 356.469 4.428 10 0 FIAEMO C[NH2+][C@@H](c1ccoc1C)c1cc(Br)ccc1Br ZINC000035467133 208125688 /nfs/dbraw/zinc/12/56/88/208125688.db2.gz WGGFFTXVEPWSKH-ZDUSSCGKSA-N 1 1 359.061 4.422 10 0 FIAEMO C[N@@H+]1Cc2cc(-c3ccc(N)nn3)ccc2[C@H](c2ccc3ccccc3c2)C1 ZINC000095598450 209083044 /nfs/dbraw/zinc/08/30/44/209083044.db2.gz VCIBGDSRPUOBOG-QFIPXVFZSA-N 1 1 366.468 4.456 10 0 in-man FIAEMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000022936307 570954011 /nfs/dbraw/zinc/95/40/11/570954011.db2.gz VOEISFPDQSWYKH-HXUWFJFHSA-N 1 1 358.913 4.493 10 0 FIAEMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000022936307 570954015 /nfs/dbraw/zinc/95/40/15/570954015.db2.gz VOEISFPDQSWYKH-HXUWFJFHSA-N 1 1 358.913 4.493 10 0 FIAEMO Cc1c2cc(Cl)ccc2oc1-c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329566408 1087045346 /nfs/dbraw/zinc/04/53/46/1087045346.db2.gz HNGVMVIOGRGZDU-BEFAXECRSA-N 1 1 373.840 4.370 10 0 FIAEMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)o2)cc1C ZINC000248119509 1092368008 /nfs/dbraw/zinc/36/80/08/1092368008.db2.gz NEROAWMFERKOLA-MDKPJZGXSA-N 1 1 355.482 4.041 10 0 FIAEMO Cc1c(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)sc2cccc(F)c12 ZINC000329472714 1094925366 /nfs/dbraw/zinc/92/53/66/1094925366.db2.gz BFILITLGSZWTLY-BFUOFWGJSA-N 1 1 373.453 4.325 10 0 FIAEMO C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000330204206 1095417113 /nfs/dbraw/zinc/41/71/13/1095417113.db2.gz BLLTXGXFVYDFLN-AMFBXLIHSA-N 1 1 368.264 4.262 10 0 FIAEMO CC(=O)Nc1ccccc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246782441 1099375241 /nfs/dbraw/zinc/37/52/41/1099375241.db2.gz QFTQYIIRTSONOU-UYAOXDASSA-N 1 1 356.466 4.106 10 0 FIAEMO COc1ccc([C@@H]2C[C@H](C)[N@H+]([C@@H](C)c3nc(-c4cccnc4)no3)C2)cc1 ZINC000076394141 1099415183 /nfs/dbraw/zinc/41/51/83/1099415183.db2.gz YTIAPGBMUZYGMH-RLFYNMQTSA-N 1 1 364.449 4.079 10 0 FIAEMO Cc1cc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)ccc1Br ZINC000180656981 1101580443 /nfs/dbraw/zinc/58/04/43/1101580443.db2.gz BJMUQZFGGUHFDD-CHWSQXEVSA-N 1 1 363.303 4.097 10 0 FIAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1cccc(C(F)F)c1 ZINC000116495934 1102556317 /nfs/dbraw/zinc/55/63/17/1102556317.db2.gz MRJKHKJYEYFQHV-KSSFIOAISA-N 1 1 374.435 4.051 10 0 FIAEMO Fc1ccc(-c2nc(CC[NH2+][C@H](c3cccs3)c3ncc[nH]3)co2)cc1 ZINC000195064793 1103080861 /nfs/dbraw/zinc/08/08/61/1103080861.db2.gz MVMXWZOHUGRQST-QGZVFWFLSA-N 1 1 368.437 4.187 10 0 FIAEMO Cc1csc([C@@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccccc4)o3)C2)n1 ZINC000195330854 1105160087 /nfs/dbraw/zinc/16/00/87/1105160087.db2.gz YGFQZTKICFZRKS-GOEBONIOSA-N 1 1 354.479 4.442 10 0 FIAEMO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000193013361 1106916763 /nfs/dbraw/zinc/91/67/63/1106916763.db2.gz DPNUSZVVOAGZKM-SJORKVTESA-N 1 1 359.491 4.110 10 0 FIAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000152970428 1113842464 /nfs/dbraw/zinc/84/24/64/1113842464.db2.gz PZXHZDSHESOLPJ-HKUYNNGSSA-N 1 1 354.498 4.170 10 0 FIAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](c2ccccc2C)C(C)C)C1 ZINC000153106640 1116357778 /nfs/dbraw/zinc/35/77/78/1116357778.db2.gz DGJDHAGJXNYKBW-WIYYLYMNSA-N 1 1 368.525 4.498 10 0 FIAEMO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(COc4ccc(F)cc4)o3)C2)cc1 ZINC000049170413 209333598 /nfs/dbraw/zinc/33/35/98/209333598.db2.gz OPHCYRNTZXTVIH-KRWDZBQOSA-N 1 1 367.424 4.086 10 0 FIAEMO CCC(=O)C(C[C@H](C)[NH+]1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000031357215 208012289 /nfs/dbraw/zinc/01/22/89/208012289.db2.gz LOXCOAXRHYDLOW-IBGZPJMESA-N 1 1 351.490 4.063 10 0 in-man FIAEMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000036063910 208142650 /nfs/dbraw/zinc/14/26/50/208142650.db2.gz DJDKMOXEFWDSDS-SFHVURJKSA-N 1 1 371.525 4.416 10 0 FIAEMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCC(C)C)co2)[C@@H](C)C(C)C)cc1 ZINC000036063910 208142655 /nfs/dbraw/zinc/14/26/55/208142655.db2.gz DJDKMOXEFWDSDS-SFHVURJKSA-N 1 1 371.525 4.416 10 0 FIAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022935983 570953688 /nfs/dbraw/zinc/95/36/88/570953688.db2.gz IOMDCDAPIRPLQY-FQEVSTJZSA-N 1 1 358.913 4.493 10 0 FIAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022935983 570953689 /nfs/dbraw/zinc/95/36/89/570953689.db2.gz IOMDCDAPIRPLQY-FQEVSTJZSA-N 1 1 358.913 4.493 10 0 FIAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccccc1OCc1ccccc1Cl ZINC000022935969 570953940 /nfs/dbraw/zinc/95/39/40/570953940.db2.gz PAHGJPXNNYKNBY-IBGZPJMESA-N 1 1 358.913 4.493 10 0 FIAEMO CC[N@H+]1CCC[C@H]1CNCc1ccccc1OCc1ccccc1Cl ZINC000022935969 570953944 /nfs/dbraw/zinc/95/39/44/570953944.db2.gz PAHGJPXNNYKNBY-IBGZPJMESA-N 1 1 358.913 4.493 10 0 FIAEMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000311877529 571102131 /nfs/dbraw/zinc/10/21/31/571102131.db2.gz VRWXWAWFVLQHBW-AZUAARDMSA-N 1 1 370.468 4.318 10 0 FIAEMO Fc1ccc(-c2cc([C@H]3CC[N@@H+](Cc4cncnc4)C3)ccn2)cc1Cl ZINC000065394422 571142788 /nfs/dbraw/zinc/14/27/88/571142788.db2.gz DRSIXPYKJLNVCS-KRWDZBQOSA-N 1 1 368.843 4.321 10 0 FIAEMO Cc1csc(C2CC[NH+](CC(=O)Nc3c(C)cc(C)cc3C)CC2)n1 ZINC000156742646 1086754280 /nfs/dbraw/zinc/75/42/80/1086754280.db2.gz GNLXRCLVIYQSSI-UHFFFAOYSA-N 1 1 357.523 4.195 10 0 FIAEMO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000329464562 1086977194 /nfs/dbraw/zinc/97/71/94/1086977194.db2.gz UTECWXYLGIHBCZ-PEVDHWGLSA-N 1 1 355.482 4.114 10 0 FIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000106209658 1091695647 /nfs/dbraw/zinc/69/56/47/1091695647.db2.gz BPCWKNUPZOUFKD-UONOGXRCSA-N 1 1 357.483 4.047 10 0 FIAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000106209658 1091695653 /nfs/dbraw/zinc/69/56/53/1091695653.db2.gz BPCWKNUPZOUFKD-UONOGXRCSA-N 1 1 357.483 4.047 10 0 FIAEMO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000162733969 1091801788 /nfs/dbraw/zinc/80/17/88/1091801788.db2.gz CAOFCBXTVBYVKA-UHFFFAOYSA-N 1 1 367.280 4.214 10 0 FIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)c1nnc(-c2cccs2)o1 ZINC000329134349 1094752286 /nfs/dbraw/zinc/75/22/86/1094752286.db2.gz BPCWKNUPZOUFKD-KGLIPLIRSA-N 1 1 357.483 4.047 10 0 FIAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)c1nnc(-c2cccs2)o1 ZINC000329134349 1094752305 /nfs/dbraw/zinc/75/23/05/1094752305.db2.gz BPCWKNUPZOUFKD-KGLIPLIRSA-N 1 1 357.483 4.047 10 0 FIAEMO Cc1c(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)sc2cccc(F)c12 ZINC000329472720 1094924983 /nfs/dbraw/zinc/92/49/83/1094924983.db2.gz BFILITLGSZWTLY-ORAYPTAESA-N 1 1 373.453 4.325 10 0 FIAEMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc4cc(Cl)ccc4o3)n1)OC2 ZINC000329565069 1094975147 /nfs/dbraw/zinc/97/51/47/1094975147.db2.gz HECGBIOWMSAMRS-MAUKXSAKSA-N 1 1 359.813 4.062 10 0 FIAEMO Cc1cnc([C@H](C)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s1 ZINC000249041577 1099413764 /nfs/dbraw/zinc/41/37/64/1099413764.db2.gz UYGDKZKZWBTODF-GEALJGNFSA-N 1 1 355.551 4.340 10 0 FIAEMO C[C@@H](Nc1ccc2c(c1)C[N@H+](C)C2)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000173990666 1101386789 /nfs/dbraw/zinc/38/67/89/1101386789.db2.gz QJHNQMRXOARULT-LSDHHAIUSA-N 1 1 363.461 4.056 10 0 FIAEMO Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1Cl ZINC000081091919 1101409192 /nfs/dbraw/zinc/40/91/92/1101409192.db2.gz MADNJDZAIIVECH-DOTOQJQBSA-N 1 1 372.900 4.076 10 0 FIAEMO CCc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(Br)c(C)c1 ZINC000180744196 1101581048 /nfs/dbraw/zinc/58/10/48/1101581048.db2.gz GYKAWGRMYBMKBJ-IUODEOHRSA-N 1 1 363.303 4.097 10 0 FIAEMO c1csc([C@@H]2CCC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)n1 ZINC000092788934 1102533013 /nfs/dbraw/zinc/53/30/13/1102533013.db2.gz HNZFJBGNFULTKF-MRXNPFEDSA-N 1 1 352.463 4.105 10 0 FIAEMO C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328729189 1104558312 /nfs/dbraw/zinc/55/83/12/1104558312.db2.gz HGCSQZAZCOBPHQ-LJIZCISZSA-N 1 1 361.511 4.121 10 0 FIAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2sc(C3CCCC3)nc2C)C1 ZINC000173096538 1115790830 /nfs/dbraw/zinc/79/08/30/1115790830.db2.gz XXOOQRRJMBTCCJ-INIZCTEOSA-N 1 1 372.538 4.345 10 0 FIAEMO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102660 208145421 /nfs/dbraw/zinc/14/54/21/208145421.db2.gz YAMQSRBRZFKHCJ-LJQANCHMSA-N 1 1 363.448 4.143 10 0 FIAEMO CC(C)(C)OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102660 208145427 /nfs/dbraw/zinc/14/54/27/208145427.db2.gz YAMQSRBRZFKHCJ-LJQANCHMSA-N 1 1 363.448 4.143 10 0 FIAEMO CCN(CC)CC[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000020874004 520686525 /nfs/dbraw/zinc/68/65/25/520686525.db2.gz GSDQHLKRPUGTTD-UHFFFAOYSA-N 1 1 356.510 4.014 10 0 FIAEMO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3csc(C(C)=O)c3)c2C)cc1 ZINC000020535536 523353857 /nfs/dbraw/zinc/35/38/57/523353857.db2.gz SATUQDCTVFCUOO-ZDUSSCGKSA-N 1 1 369.490 4.304 10 0 FIAEMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCN(c3ccccc3)C[C@H]2C)cc1C ZINC000012297386 568102018 /nfs/dbraw/zinc/10/20/18/568102018.db2.gz APINLRPTQLXRGW-LJQANCHMSA-N 1 1 360.505 4.404 10 0 FIAEMO Cc1ncc2c(c1-c1noc(-c3ccco3)n1)CC[N@@H+](C1CCCC1)C2 ZINC000020109504 570910541 /nfs/dbraw/zinc/91/05/41/570910541.db2.gz DMDQQZSUMCRXMQ-UHFFFAOYSA-N 1 1 350.422 4.001 10 0 FIAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccccc1OCc1ccccc1Cl ZINC000022935966 570953861 /nfs/dbraw/zinc/95/38/61/570953861.db2.gz PAHGJPXNNYKNBY-LJQANCHMSA-N 1 1 358.913 4.493 10 0 FIAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccccc1OCc1ccccc1Cl ZINC000022935966 570953866 /nfs/dbraw/zinc/95/38/66/570953866.db2.gz PAHGJPXNNYKNBY-LJQANCHMSA-N 1 1 358.913 4.493 10 0 FIAEMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000299805574 571203790 /nfs/dbraw/zinc/20/37/90/571203790.db2.gz VHQSLLZPQOHFAQ-WOJBJXKFSA-N 1 1 370.468 4.318 10 0 FIAEMO C[N@@H+]1CC[C@@H](CNCc2ccc(Oc3ccccc3)o2)[C@@H]1c1cccnc1 ZINC000328622343 571324529 /nfs/dbraw/zinc/32/45/29/571324529.db2.gz BDTFIVWVPSVYLU-AVRDEDQJSA-N 1 1 363.461 4.250 10 0 FIAEMO C[N@H+]1CC[C@@H](CNCc2ccc(Oc3ccccc3)o2)[C@@H]1c1cccnc1 ZINC000328622343 571324530 /nfs/dbraw/zinc/32/45/30/571324530.db2.gz BDTFIVWVPSVYLU-AVRDEDQJSA-N 1 1 363.461 4.250 10 0 FIAEMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000156699447 1086738027 /nfs/dbraw/zinc/73/80/27/1086738027.db2.gz HQVVOMNJOXKLMW-UHFFFAOYSA-N 1 1 357.523 4.140 10 0 FIAEMO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@H]4CO3)no2)cc1Cl ZINC000329602264 1087075575 /nfs/dbraw/zinc/07/55/75/1087075575.db2.gz XYAJGCMTLAACPR-XJKSGUPXSA-N 1 1 361.873 4.223 10 0 FIAEMO Clc1cccc(C2(c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)CCCC2)c1 ZINC000329703818 1088979621 /nfs/dbraw/zinc/97/96/21/1088979621.db2.gz IMGOWRGHNIQBDB-IAGOWNOFSA-N 1 1 373.884 4.119 10 0 FIAEMO Clc1cccc(C2(c3nc([C@H]4C[N@H+]5CCC[C@@H]5CO4)no3)CCCC2)c1 ZINC000329703818 1088979623 /nfs/dbraw/zinc/97/96/23/1088979623.db2.gz IMGOWRGHNIQBDB-IAGOWNOFSA-N 1 1 373.884 4.119 10 0 FIAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)c3nc(-c4ccc(F)c(C)c4)no3)C2)c1 ZINC000247598104 1091851454 /nfs/dbraw/zinc/85/14/54/1091851454.db2.gz KNLPNLBEYHCPCM-DOTOQJQBSA-N 1 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C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1N[C@@H](c1ccco1)c1ccccc1 ZINC000248024690 1099399336 /nfs/dbraw/zinc/39/93/36/1099399336.db2.gz ONWZSECAUMFHEX-RZFNWQHOSA-N 1 1 361.489 4.264 10 0 FIAEMO Cc1cnc([C@H](C)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)s1 ZINC000249041580 1099413738 /nfs/dbraw/zinc/41/37/38/1099413738.db2.gz UYGDKZKZWBTODF-XLNTUCKNSA-N 1 1 355.551 4.340 10 0 FIAEMO CSCc1ccccc1NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000184812425 1101672211 /nfs/dbraw/zinc/67/22/11/1101672211.db2.gz HIPPGBAXSZHUGH-UHFFFAOYSA-N 1 1 370.522 4.044 10 0 FIAEMO CSc1cccc(C)c1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000184954036 1101684198 /nfs/dbraw/zinc/68/41/98/1101684198.db2.gz ZCPWLLQBDBDJNH-UHFFFAOYSA-N 1 1 370.522 4.211 10 0 FIAEMO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000186047768 1101754469 /nfs/dbraw/zinc/75/44/69/1101754469.db2.gz VXRLBVVEADGSMS-KRWDZBQOSA-N 1 1 374.488 4.213 10 0 FIAEMO Cc1cc(C)c(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c(C)c1 ZINC000116996128 1102558944 /nfs/dbraw/zinc/55/89/44/1102558944.db2.gz QJGHIEYFMCDHMC-UHFFFAOYSA-N 1 1 352.482 4.106 10 0 FIAEMO C[C@@H](Nc1ccc2c(c1)C[N@H+](C)C2)C(=O)Nc1cc(Cl)ccc1Cl ZINC000194518424 1103072327 /nfs/dbraw/zinc/07/23/27/1103072327.db2.gz OQDNZOWIUFHXSK-LLVKDONJSA-N 1 1 364.276 4.378 10 0 FIAEMO C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000328740454 1104547507 /nfs/dbraw/zinc/54/75/07/1104547507.db2.gz NDUFSLKBBOXSRB-CWVYHPPDSA-N 1 1 361.511 4.121 10 0 FIAEMO Cc1csc([C@H]2CCC[N@H+]([C@@H](C)c3nnc(-c4ccccc4)o3)C2)n1 ZINC000195330862 1105160195 /nfs/dbraw/zinc/16/01/95/1105160195.db2.gz YGFQZTKICFZRKS-HOCLYGCPSA-N 1 1 354.479 4.442 10 0 FIAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000022935962 211372095 /nfs/dbraw/zinc/37/20/95/211372095.db2.gz JZPRONCOSKAOGM-HXUWFJFHSA-N 1 1 358.913 4.493 10 0 FIAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000022935962 211372101 /nfs/dbraw/zinc/37/21/01/211372101.db2.gz JZPRONCOSKAOGM-HXUWFJFHSA-N 1 1 358.913 4.493 10 0 FIAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000022936928 211371965 /nfs/dbraw/zinc/37/19/65/211371965.db2.gz QWOQKYZKQAGNLK-LJQANCHMSA-N 1 1 358.913 4.493 10 0 FIAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000022936928 211371969 /nfs/dbraw/zinc/37/19/69/211371969.db2.gz QWOQKYZKQAGNLK-LJQANCHMSA-N 1 1 358.913 4.493 10 0 FIAEMO C[N@@H+](CCNc1ncnc2onc(-c3ccc(F)cc3)c21)C1CCCCC1 ZINC000020574500 211288310 /nfs/dbraw/zinc/28/83/10/211288310.db2.gz AKGCIAKENXLROT-UHFFFAOYSA-N 1 1 369.444 4.100 10 0 FIAEMO CN1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4cccc(Cl)c4)o3)C2)C1=O ZINC000012586132 210971797 /nfs/dbraw/zinc/97/17/97/210971797.db2.gz KGVDTEDAJNKJHD-FQEVSTJZSA-N 1 1 358.869 4.044 10 0 FIAEMO CC[N@H+]1CCC[C@@](C(=O)Nc2cccc(OC)c2)(c2ccccc2)CC1 ZINC000065226040 221183035 /nfs/dbraw/zinc/18/30/35/221183035.db2.gz VIKDKGCJUZEWAB-QFIPXVFZSA-N 1 1 352.478 4.078 10 0 FIAEMO CCCN1CCC([NH2+]C2CCN(c3cccc(-c4ccco4)c3)CC2)CC1 ZINC000063844350 136133068 /nfs/dbraw/zinc/13/30/68/136133068.db2.gz RNUGWWWAMLZVHT-UHFFFAOYSA-N 1 1 367.537 4.379 10 0 FIAEMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000311877531 518840494 /nfs/dbraw/zinc/84/04/94/518840494.db2.gz VRWXWAWFVLQHBW-ICSRJNTNSA-N 1 1 370.468 4.318 10 0 FIAEMO Clc1cccc(N2CCN([C@@H]3CCC[N@@H+](CC4CCCC4)C3)CC2)c1 ZINC000020598306 526981131 /nfs/dbraw/zinc/98/11/31/526981131.db2.gz ICQGCQVOSJJVTL-OAQYLSRUSA-N 1 1 361.961 4.117 10 0 FIAEMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1F ZINC000228489175 568081136 /nfs/dbraw/zinc/08/11/36/568081136.db2.gz TWPGILKLBRLQMV-HYVNUMGLSA-N 1 1 356.279 4.104 10 0 FIAEMO CCOC(=O)[C@H]1CCC[N@@H+](CC2c3ccccc3CCc3ccccc32)C1 ZINC000048545056 571308795 /nfs/dbraw/zinc/30/87/95/571308795.db2.gz ULSGITODFCMBKQ-FQEVSTJZSA-N 1 1 363.501 4.192 10 0 FIAEMO O=C1CC[C@@H]2C[N@@H+](C3CCCCCC3)CC[C@@H]2N1Cc1ccc(F)cc1 ZINC000299773282 571338456 /nfs/dbraw/zinc/33/84/56/571338456.db2.gz CRLXLKRGNALNQJ-NQIIRXRSSA-N 1 1 358.501 4.361 10 0 FIAEMO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000329464561 1086977337 /nfs/dbraw/zinc/97/73/37/1086977337.db2.gz UTECWXYLGIHBCZ-HFPIOELMSA-N 1 1 355.482 4.114 10 0 FIAEMO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1nnc(-c2ccc(Cl)cc2Cl)o1 ZINC000330258604 1095437620 /nfs/dbraw/zinc/43/76/20/1095437620.db2.gz MPCOZZIGJVOZJY-TZTCFGBESA-N 1 1 368.264 4.262 10 0 FIAEMO CCO[C@@H](C)c1noc(CNc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)n1 ZINC000076701450 1099427360 /nfs/dbraw/zinc/42/73/60/1099427360.db2.gz AJYHMNGMQJJPTM-GJZGRUSLSA-N 1 1 358.486 4.139 10 0 FIAEMO Cc1ncc(-c2ccc(N[C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cc2)o1 ZINC000182722792 1101616408 /nfs/dbraw/zinc/61/64/08/1101616408.db2.gz KFCJEUXGKHGOCJ-KKSFZXQISA-N 1 1 362.477 4.368 10 0 FIAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(CC)cc2)C1 ZINC000151927231 1103032543 /nfs/dbraw/zinc/03/25/43/1103032543.db2.gz PBRFSUSAYHUOJR-LPHOPBHVSA-N 1 1 354.498 4.116 10 0 FIAEMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nccs4)C3)co2)cc1 ZINC000195344704 1103092903 /nfs/dbraw/zinc/09/29/03/1103092903.db2.gz XRKVFHQJLSJUIQ-HNNXBMFYSA-N 1 1 355.463 4.186 10 0 FIAEMO Clc1ccccc1-c1nnc(C[N@@H+]2CCC[C@H](c3nccs3)C2)o1 ZINC000195349897 1103093393 /nfs/dbraw/zinc/09/33/93/1103093393.db2.gz MGHRGTPFKDIAMT-LBPRGKRZSA-N 1 1 360.870 4.226 10 0 FIAEMO Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@H](c3nccs3)C2)o1 ZINC000195349897 1103093421 /nfs/dbraw/zinc/09/34/21/1103093421.db2.gz MGHRGTPFKDIAMT-LBPRGKRZSA-N 1 1 360.870 4.226 10 0 FIAEMO CC(C)c1nccc(C[N@H+]2CC[C@H](c3ccnc(-c4ccncc4)c3)C2)n1 ZINC000065385783 221208142 /nfs/dbraw/zinc/20/81/42/221208142.db2.gz HBPAUNFOFUOSPW-IBGZPJMESA-N 1 1 359.477 4.047 10 0 FIAEMO C[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2F)C[C@H]1c1ccccc1 ZINC000244700933 523908868 /nfs/dbraw/zinc/90/88/68/523908868.db2.gz JWTOCCWKJCWSII-SFHVURJKSA-N 1 1 352.375 4.333 10 0 FIAEMO C[N@H+](Cc1cccc2cnccc21)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328629046 571325133 /nfs/dbraw/zinc/32/51/33/571325133.db2.gz HVVOSYXQLYKSAB-AWEZNQCLSA-N 1 1 374.410 4.145 10 0 FIAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000151922371 1080383432 /nfs/dbraw/zinc/38/34/32/1080383432.db2.gz FCDKDKRFIGRYMD-WMLDXEAASA-N 1 1 360.889 4.207 10 0 FIAEMO Cc1ccc(N2CCC(NC(=O)c3cccc(Cl)c3Cl)CC2)[nH+]c1 ZINC000157709577 1086970110 /nfs/dbraw/zinc/97/01/10/1086970110.db2.gz MCQAWLYUVCPBBK-UHFFFAOYSA-N 1 1 364.276 4.096 10 0 FIAEMO COc1ccc([C@@H](C)C[N@@H+]2Cc3ccccc3C[C@H]2c2nnc(C)o2)cc1 ZINC000245859187 1098812462 /nfs/dbraw/zinc/81/24/62/1098812462.db2.gz OHQQSJARBWAERW-BTYIYWSLSA-N 1 1 363.461 4.290 10 0 FIAEMO COc1ccc([C@@H](C)C[N@H+]2Cc3ccccc3C[C@H]2c2nnc(C)o2)cc1 ZINC000245859187 1098812480 /nfs/dbraw/zinc/81/24/80/1098812480.db2.gz OHQQSJARBWAERW-BTYIYWSLSA-N 1 1 363.461 4.290 10 0 FIAEMO CN(C)C(=O)Sc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000246767122 1099376008 /nfs/dbraw/zinc/37/60/08/1099376008.db2.gz WIEAHZAXSGFDOP-SJLPKXTDSA-N 1 1 374.506 4.141 10 0 FIAEMO Cc1c(Cl)cccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C 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ZINC000181018647 1101584935 /nfs/dbraw/zinc/58/49/35/1101584935.db2.gz LNIDUZZMJNVBGY-BQFCYCMXSA-N 1 1 358.555 4.223 10 0 FIAEMO CC(C)c1nc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cs1 ZINC000181018647 1101584940 /nfs/dbraw/zinc/58/49/40/1101584940.db2.gz LNIDUZZMJNVBGY-BQFCYCMXSA-N 1 1 358.555 4.223 10 0 FIAEMO CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000103473053 1102463789 /nfs/dbraw/zinc/46/37/89/1102463789.db2.gz NRWCIXQRLNQVLH-CQSZACIVSA-N 1 1 361.536 4.073 10 0 FIAEMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C)cc3)o2)C12CCCC2 ZINC000121145710 1102641866 /nfs/dbraw/zinc/64/18/66/1102641866.db2.gz KIJSRQJFKDWPBS-QZTJIDSGSA-N 1 1 355.482 4.215 10 0 FIAEMO CCc1cccc(CC)c1NC(=O)[C@H](C)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000194513531 1103069615 /nfs/dbraw/zinc/06/96/15/1103069615.db2.gz QIWGZLZLOMUFJH-HNNXBMFYSA-N 1 1 351.494 4.196 10 0 FIAEMO CCOc1cccc(CNC[C@@H]2CCC[N@H+]2CC)c1OCc1ccccc1 ZINC000022936699 211371680 /nfs/dbraw/zinc/37/16/80/211371680.db2.gz BLFNJVCRFFNHEG-NRFANRHFSA-N 1 1 368.521 4.238 10 0 FIAEMO CCOc1cccc(C[NH2+]C[C@@H]2CCCN2CC)c1OCc1ccccc1 ZINC000022936699 211371686 /nfs/dbraw/zinc/37/16/86/211371686.db2.gz BLFNJVCRFFNHEG-NRFANRHFSA-N 1 1 368.521 4.238 10 0 FIAEMO COc1cc([C@H](C)[NH2+]Cc2cc(F)ccc2Br)ccc1O ZINC000038038961 211364730 /nfs/dbraw/zinc/36/47/30/211364730.db2.gz ZMEDQNDYCDXFTK-JTQLQIEISA-N 1 1 354.219 4.153 10 0 FIAEMO CC(C)(C)NC(=O)CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000019743019 211254198 /nfs/dbraw/zinc/25/41/98/211254198.db2.gz SDISVIDJIYQVNR-HXUWFJFHSA-N 1 1 370.468 4.066 10 0 FIAEMO Cc1noc2nc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)cc(C(F)F)c12 ZINC000019564380 211232974 /nfs/dbraw/zinc/23/29/74/211232974.db2.gz GXJYKVQXFSYAAX-CQSZACIVSA-N 1 1 358.392 4.243 10 0 FIAEMO C[NH+](C)CCNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875699 521787002 /nfs/dbraw/zinc/78/70/02/521787002.db2.gz OFCXEPYILLPWDH-UHFFFAOYSA-N 1 1 357.679 4.014 10 0 FIAEMO CC1=C[C@@H](C[NH2+]CC2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000072320837 560077224 /nfs/dbraw/zinc/07/72/24/560077224.db2.gz SODGIEVEGGVQON-FHWLQOOXSA-N 1 1 352.526 4.355 10 0 biogenic FIAEMO CC1=C[C@@H](C[NH2+]CC2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000072320837 560077226 /nfs/dbraw/zinc/07/72/26/560077226.db2.gz SODGIEVEGGVQON-FHWLQOOXSA-N 1 1 352.526 4.355 10 0 biogenic FIAEMO Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000162655513 568001797 /nfs/dbraw/zinc/00/17/97/568001797.db2.gz XPKONQKSEZBLPL-FCHUYYIVSA-N 1 1 373.500 4.158 10 0 FIAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000035805125 571078666 /nfs/dbraw/zinc/07/86/66/571078666.db2.gz RVWRFKHZUPLERD-MRXNPFEDSA-N 1 1 363.299 4.283 10 0 FIAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000035805125 571078669 /nfs/dbraw/zinc/07/86/69/571078669.db2.gz RVWRFKHZUPLERD-MRXNPFEDSA-N 1 1 363.299 4.283 10 0 FIAEMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000242750474 571196606 /nfs/dbraw/zinc/19/66/06/571196606.db2.gz ZODPLMKUZITHHK-PMACEKPBSA-N 1 1 352.478 4.179 10 0 FIAEMO CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(OC)c1 ZINC000036096005 571240981 /nfs/dbraw/zinc/24/09/81/571240981.db2.gz HHBYOPUUGNGCFM-LJQANCHMSA-N 1 1 361.457 4.006 10 0 FIAEMO CCC(=O)C(C[C@@H](C)[NH+]1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000031357213 571352240 /nfs/dbraw/zinc/35/22/40/571352240.db2.gz LOXCOAXRHYDLOW-LJQANCHMSA-N 1 1 351.490 4.063 10 0 in-man FIAEMO Cc1c2cc(Cl)ccc2oc1-c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329566416 1087045119 /nfs/dbraw/zinc/04/51/19/1087045119.db2.gz HNGVMVIOGRGZDU-KXBFYZLASA-N 1 1 373.840 4.370 10 0 FIAEMO CC(C)(C)c1ccc(-c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cc1Cl ZINC000329602263 1087075609 /nfs/dbraw/zinc/07/56/09/1087075609.db2.gz XYAJGCMTLAACPR-CZUORRHYSA-N 1 1 361.873 4.223 10 0 FIAEMO CC(C)Sc1ccccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000159102933 1087204532 /nfs/dbraw/zinc/20/45/32/1087204532.db2.gz XYDZSTUCPRILKA-UHFFFAOYSA-N 1 1 372.538 4.407 10 0 FIAEMO Brc1ccc(-c2nnc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)o2)o1 ZINC000182491307 1088919308 /nfs/dbraw/zinc/91/93/08/1088919308.db2.gz AQONPQXHXVZXQN-NEPJUHHUSA-N 1 1 366.259 4.247 10 0 FIAEMO Cc1ccc(-c2nnc([C@H](C)[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)o2)cc1C ZINC000248119507 1092366698 /nfs/dbraw/zinc/36/66/98/1092366698.db2.gz NEROAWMFERKOLA-DJPFJPOOSA-N 1 1 355.482 4.041 10 0 FIAEMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cc(F)c(Cl)cc3Cl)n1)OC2 ZINC000329616188 1095003982 /nfs/dbraw/zinc/00/39/82/1095003982.db2.gz SJLQSULEJQZNES-CJNGLKHVSA-N 1 1 372.227 4.108 10 0 FIAEMO C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000246646508 1099372180 /nfs/dbraw/zinc/37/21/80/1099372180.db2.gz IKVSCJLEAUTCFX-GDBMZVCRSA-N 1 1 354.479 4.058 10 0 FIAEMO C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000246646508 1099372192 /nfs/dbraw/zinc/37/21/92/1099372192.db2.gz IKVSCJLEAUTCFX-GDBMZVCRSA-N 1 1 354.479 4.058 10 0 FIAEMO O[C@H](C[C@@H]1CCCCC[N@H+]1Cc1nnc(-c2ccco2)o1)c1cccs1 ZINC000247338129 1099387501 /nfs/dbraw/zinc/38/75/01/1099387501.db2.gz ZNSDLFRYQMCQCL-LSDHHAIUSA-N 1 1 373.478 4.259 10 0 FIAEMO Cc1nc([C@@H]2CCCN2CC[N@@H+]2CCC[C@H]2c2csc(C)n2)cs1 ZINC000249456352 1099417911 /nfs/dbraw/zinc/41/79/11/1099417911.db2.gz NSERYRIJIIVATG-ROUUACIJSA-N 1 1 362.568 4.190 10 0 FIAEMO Cc1nc([C@@H]2CCCN2CC[N@H+]2CCC[C@H]2c2csc(C)n2)cs1 ZINC000249456352 1099417920 /nfs/dbraw/zinc/41/79/20/1099417920.db2.gz NSERYRIJIIVATG-ROUUACIJSA-N 1 1 362.568 4.190 10 0 FIAEMO C[N@H+]1CCC[C@H](CN[C@H](c2cccs2)c2ncc[nH]2)[C@@H]1c1cccs1 ZINC000253355632 1099560332 /nfs/dbraw/zinc/56/03/32/1099560332.db2.gz UIHAVTCEFXBFTA-ZTFGCOKTSA-N 1 1 372.563 4.295 10 0 FIAEMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(NCc3nnc(C4CCC4)n3C)c2C1 ZINC000180965272 1101584276 /nfs/dbraw/zinc/58/42/76/1101584276.db2.gz UIQGJBNPXJBGIM-OAHLLOKOSA-N 1 1 353.514 4.055 10 0 FIAEMO Cc1oc2ccc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cc2c1C ZINC000186440324 1101764977 /nfs/dbraw/zinc/76/49/77/1101764977.db2.gz AOAUTNZPANWKDG-UHFFFAOYSA-N 1 1 366.465 4.270 10 0 FIAEMO COCCC1(C[N@@H+]2Cc3ccccc3C[C@H]2c2nnc(C)o2)CCCCC1 ZINC000189779892 1101897433 /nfs/dbraw/zinc/89/74/33/1101897433.db2.gz NEQSAWWIRLRAAG-FQEVSTJZSA-N 1 1 369.509 4.464 10 0 FIAEMO COCCC1(C[N@H+]2Cc3ccccc3C[C@H]2c2nnc(C)o2)CCCCC1 ZINC000189779892 1101897452 /nfs/dbraw/zinc/89/74/52/1101897452.db2.gz NEQSAWWIRLRAAG-FQEVSTJZSA-N 1 1 369.509 4.464 10 0 FIAEMO CC(C)Sc1cccc(Cl)c1C[NH2+]Cc1cccnc1-n1cncn1 ZINC000192675775 1101970792 /nfs/dbraw/zinc/97/07/92/1101970792.db2.gz HLOZXMMPLCAFDT-UHFFFAOYSA-N 1 1 373.913 4.106 10 0 FIAEMO c1ccc([C@H]2CCCC[C@H]2c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000333799595 1102235422 /nfs/dbraw/zinc/23/54/22/1102235422.db2.gz FXCVRPXURRQUAD-NCXUSEDFSA-N 1 1 353.466 4.047 10 0 FIAEMO c1ccc([C@H]2CCCC[C@H]2c2nc([C@H]3C[N@H+]4CCC[C@@H]4CO3)no2)cc1 ZINC000333799595 1102235431 /nfs/dbraw/zinc/23/54/31/1102235431.db2.gz FXCVRPXURRQUAD-NCXUSEDFSA-N 1 1 353.466 4.047 10 0 FIAEMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC000092011275 1102451189 /nfs/dbraw/zinc/45/11/89/1102451189.db2.gz NMEHKSPGWOUPEK-FXAWDEMLSA-N 1 1 367.518 4.094 10 0 FIAEMO CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000093387306 1102571097 /nfs/dbraw/zinc/57/10/97/1102571097.db2.gz VRELJSUJSWLYNE-HXUWFJFHSA-N 1 1 374.488 4.415 10 0 FIAEMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000136929159 1102992572 /nfs/dbraw/zinc/99/25/72/1102992572.db2.gz FKDKJLZKRWTBQY-KRWDZBQOSA-N 1 1 357.523 4.358 10 0 FIAEMO Cc1nc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000245646689 1103302609 /nfs/dbraw/zinc/30/26/09/1103302609.db2.gz BKHHADPLXLVQPO-DYVFJYSZSA-N 1 1 353.894 4.027 10 0 FIAEMO Cc1nc(CNC[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cs1 ZINC000245646689 1103302627 /nfs/dbraw/zinc/30/26/27/1103302627.db2.gz BKHHADPLXLVQPO-DYVFJYSZSA-N 1 1 353.894 4.027 10 0 FIAEMO CC[C@H](NC(=O)C1=CC[N@@H+](Cc2ccc(F)cc2)CC1)c1cccs1 ZINC000064818069 212044980 /nfs/dbraw/zinc/04/49/80/212044980.db2.gz FLIFJHTVHORDEZ-SFHVURJKSA-N 1 1 358.482 4.287 10 0 FIAEMO Cc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000023129522 211377355 /nfs/dbraw/zinc/37/73/55/211377355.db2.gz RXLQEDLJPGKMFE-LJQANCHMSA-N 1 1 362.452 4.366 10 0 FIAEMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000022851347 211364602 /nfs/dbraw/zinc/36/46/02/211364602.db2.gz NYBSDZCAANPEEL-LJQANCHMSA-N 1 1 361.892 4.361 10 0 FIAEMO Cc1ccccc1C[C@]1(CO)CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000015071325 211118790 /nfs/dbraw/zinc/11/87/90/211118790.db2.gz KYKRKJORORNGTH-XMMPIXPASA-N 1 1 360.501 4.360 10 0 FIAEMO COc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc(F)c1O ZINC000067872228 221298353 /nfs/dbraw/zinc/29/83/53/221298353.db2.gz QGEIWGCHYAFUTD-AWEZNQCLSA-N 1 1 356.397 4.061 10 0 FIAEMO CC(C)[NH+]1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000000538361 519679556 /nfs/dbraw/zinc/67/95/56/519679556.db2.gz UEIKOVSHPFMKAA-UHFFFAOYSA-N 1 1 353.491 4.435 10 0 in-man FIAEMO COc1cc(Br)cc(C[NH2+]Cc2ccccc2Cl)c1OC ZINC000020933667 522027876 /nfs/dbraw/zinc/02/78/76/522027876.db2.gz LKIYRRYNKLXEKJ-UHFFFAOYSA-N 1 1 370.674 4.410 10 0 FIAEMO Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 ZINC000162637172 567999039 /nfs/dbraw/zinc/99/90/39/567999039.db2.gz GZKATJPNQAUVLJ-YADHBBJMSA-N 1 1 373.500 4.158 10 0 FIAEMO COCc1cc(C[NH2+]Cc2ccc(Sc3ccc(Cl)cc3)o2)[nH]n1 ZINC000055225195 571117985 /nfs/dbraw/zinc/11/79/85/571117985.db2.gz BMEZLMFOZRNWPH-UHFFFAOYSA-N 1 1 363.870 4.244 10 0 FIAEMO O=C(C[N@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13)c1ccccc1 ZINC000004216728 571208351 /nfs/dbraw/zinc/20/83/51/571208351.db2.gz RCYBMSQOSGJZLO-BGWNEDDSSA-N 1 1 361.485 4.334 10 0 in-man FIAEMO O=C(C[N@@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13)c1ccccc1 ZINC000004216728 571208353 /nfs/dbraw/zinc/20/83/53/571208353.db2.gz RCYBMSQOSGJZLO-BGWNEDDSSA-N 1 1 361.485 4.334 10 0 in-man FIAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)C1 ZINC000119202150 1082102358 /nfs/dbraw/zinc/10/23/58/1082102358.db2.gz CYJALPDOJUXRMA-IEBWSBKVSA-N 1 1 370.472 4.009 10 0 FIAEMO C[C@H](c1nnc(-c2cccc(Cl)c2)o1)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000330142755 1089695075 /nfs/dbraw/zinc/69/50/75/1089695075.db2.gz YLPRKZOLEAMPBI-MUKKUYKPSA-N 1 1 361.873 4.078 10 0 FIAEMO C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329064413 1094727226 /nfs/dbraw/zinc/72/72/26/1094727226.db2.gz VTMGCNWACUSIMF-WCQYABFASA-N 1 1 373.407 4.242 10 0 FIAEMO C[C@@H](c1nc2ccccc2n1C(F)F)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329064413 1094727234 /nfs/dbraw/zinc/72/72/34/1094727234.db2.gz VTMGCNWACUSIMF-WCQYABFASA-N 1 1 373.407 4.242 10 0 FIAEMO c1ccc([C@H]2C[C@@H]2[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000329812587 1095274206 /nfs/dbraw/zinc/27/42/06/1095274206.db2.gz NCHPQTKWUOHASI-ISHFTEKXSA-N 1 1 372.472 4.041 10 0 FIAEMO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000330204207 1095416573 /nfs/dbraw/zinc/41/65/73/1095416573.db2.gz BLLTXGXFVYDFLN-LNHVQRHZSA-N 1 1 368.264 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