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](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2nccs2)CC1 ZINC000054634903 214247083 /nfs/dbraw/zinc/24/70/83/214247083.db2.gz YVKIPAOHVZKDFV-HNNXBMFYSA-N 1 2 348.516 2.660 40 0 EFABLO Cc1cccc(C(=O)N2CC[NH+](C[C@H](O)c3cccs3)CC2)c1 ZINC000056921540 214395623 /nfs/dbraw/zinc/39/56/23/214395623.db2.gz DJMLFCXGZRWNQU-INIZCTEOSA-N 1 2 330.453 2.548 40 0 EFABLO Cn1c(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc2occc21 ZINC000040788051 213386791 /nfs/dbraw/zinc/38/67/91/213386791.db2.gz MMYLITSQVUZXJY-UHFFFAOYSA-N 1 2 339.395 2.856 40 0 EFABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)CCn3cccn3)C2)c2sccn12 ZINC000019240743 202001656 /nfs/dbraw/zinc/00/16/56/202001656.db2.gz HWUZJDSCYDJBQB-CQSZACIVSA-N 1 2 343.456 2.697 40 0 EFABLO Cc1csc2c([C@@H]3CCCN(C(=O)c4ccnn4C)C3)[nH+]c(C)n12 ZINC000019240446 202001793 /nfs/dbraw/zinc/00/17/93/202001793.db2.gz WAXCIZRWRZSTCL-CYBMUJFWSA-N 1 2 343.456 2.766 40 0 EFABLO Cc1csc2c(C3CCN(C(=O)c4cnn(C)c4)CC3)[nH+]c(C)n12 ZINC000019240569 202001854 /nfs/dbraw/zinc/00/18/54/202001854.db2.gz XVKXRKXGBIPHCC-UHFFFAOYSA-N 1 2 343.456 2.766 40 0 EFABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019346884 202005637 /nfs/dbraw/zinc/00/56/37/202005637.db2.gz QZMPQRWMEXDXRG-MRXNPFEDSA-N 1 2 337.427 2.946 40 0 EFABLO COc1cccc(C[N@@H+]2CCN(C(=O)N3CCCCC3)[C@@H](C)C2)c1 ZINC000019575606 202014301 /nfs/dbraw/zinc/01/43/01/202014301.db2.gz XGAVZUQIMYPOKU-INIZCTEOSA-N 1 2 331.460 2.807 40 0 EFABLO COc1cccc(C[N@H+]2CCN(C(=O)N3CCCCC3)[C@@H](C)C2)c1 ZINC000019575606 202014307 /nfs/dbraw/zinc/01/43/07/202014307.db2.gz XGAVZUQIMYPOKU-INIZCTEOSA-N 1 2 331.460 2.807 40 0 EFABLO C[C@H]1Cc2cc(-c3c[nH+]cn3CC(=O)NC(C)(C)C)ccc2N1C ZINC000019719456 202016104 /nfs/dbraw/zinc/01/61/04/202016104.db2.gz UADCTWYCLXYCGJ-ZDUSSCGKSA-N 1 2 326.444 2.846 40 0 EFABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1C[C@@H](C)n1nc(C)cc1C ZINC000019719686 202016584 /nfs/dbraw/zinc/01/65/84/202016584.db2.gz MYIQGGUJWJUYCP-CYBMUJFWSA-N 1 2 342.403 2.524 40 0 EFABLO Cc1cccc(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000020104477 202031748 /nfs/dbraw/zinc/03/17/48/202031748.db2.gz OZKLPRZMBJAHMW-UHFFFAOYSA-N 1 2 341.436 2.800 40 0 EFABLO Cc1ccc(C[NH2+]C2(Cc3cc(-c4ccccn4)on3)COC2)o1 ZINC000067898268 202041206 /nfs/dbraw/zinc/04/12/06/202041206.db2.gz FNCUHTXYCFGZKB-UHFFFAOYSA-N 1 2 325.368 2.739 40 0 biogenic,in-vitro EFABLO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1CCc1ccccc1 ZINC000021581826 202067027 /nfs/dbraw/zinc/06/70/27/202067027.db2.gz HEGDBOPDGMKKHS-UHFFFAOYSA-N 1 2 340.467 2.987 40 0 EFABLO C[C@H](NC(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000021578065 202067550 /nfs/dbraw/zinc/06/75/50/202067550.db2.gz GAOGKHQEBYBRMC-OAGGEKHMSA-N 1 2 330.472 2.852 40 0 EFABLO O=S(=O)(NCCc1cn2ccccc2[nH+]1)c1cccc(Cl)c1 ZINC000023354727 202102735 /nfs/dbraw/zinc/10/27/35/202102735.db2.gz XKAWUIJSVYDQLW-UHFFFAOYSA-N 1 2 335.816 2.509 40 0 EFABLO CS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000023889434 202109298 /nfs/dbraw/zinc/10/92/98/202109298.db2.gz PNKSXBRRLSRWCZ-UHFFFAOYSA-N 1 2 341.392 2.528 40 0 EFABLO CCOCC(=O)N1CCC(Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000038488451 202136988 /nfs/dbraw/zinc/13/69/88/202136988.db2.gz JHLUAPGDCIBDGR-UHFFFAOYSA-N 1 2 329.444 2.928 40 0 EFABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000038679262 202143643 /nfs/dbraw/zinc/14/36/43/202143643.db2.gz WVFCGTSGBYDZLY-UHFFFAOYSA-N 1 2 341.455 2.959 40 0 EFABLO Cc1nc(C)c(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)s1 ZINC000032195404 202222751 /nfs/dbraw/zinc/22/27/51/202222751.db2.gz ZKSBAYPLUUADEI-UHFFFAOYSA-N 1 2 337.489 2.525 40 0 EFABLO Cc1[nH+]c2ccccc2n1CCCNc1cncc(-n2cccn2)n1 ZINC000068659708 202235789 /nfs/dbraw/zinc/23/57/89/202235789.db2.gz OEMFYIDZBJUGBX-UHFFFAOYSA-N 1 2 333.399 2.823 40 0 EFABLO [NH3+]C[C@@H](c1cccc(Oc2ccccc2)c1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622918 202307567 /nfs/dbraw/zinc/30/75/67/202307567.db2.gz FXNAGGPWQCQISF-YJBOKZPZSA-N 1 2 326.396 2.885 40 0 EFABLO [NH3+]C[C@@H](c1cccc(Oc2ccccc2)c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622918 202307568 /nfs/dbraw/zinc/30/75/68/202307568.db2.gz FXNAGGPWQCQISF-YJBOKZPZSA-N 1 2 326.396 2.885 40 0 EFABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000036741467 202330499 /nfs/dbraw/zinc/33/04/99/202330499.db2.gz BGKFJJANDXZTMR-QGZVFWFLSA-N 1 2 344.455 2.819 40 0 EFABLO CS(=O)(=O)Cc1noc(C[NH2+][C@H](c2ccccc2)C2CCCC2)n1 ZINC000072630639 202365665 /nfs/dbraw/zinc/36/56/65/202365665.db2.gz AZMKLAPYXWQYJB-QGZVFWFLSA-N 1 2 349.456 2.635 40 0 EFABLO Cc1csc(C(C)(C)[NH2+]CC(=O)N2CCC(c3ccccc3)=N2)n1 ZINC000072663070 202365885 /nfs/dbraw/zinc/36/58/85/202365885.db2.gz SEAUEQFZGLRCOU-UHFFFAOYSA-N 1 2 342.468 2.913 40 0 EFABLO COc1cccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000072322103 202363601 /nfs/dbraw/zinc/36/36/01/202363601.db2.gz ZZMTXNLCKKGPPW-SFHVURJKSA-N 1 2 343.427 2.638 40 0 biogenic,in-vitro EFABLO COc1cccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCOCC3)n2)c1 ZINC000072322103 202363604 /nfs/dbraw/zinc/36/36/04/202363604.db2.gz ZZMTXNLCKKGPPW-SFHVURJKSA-N 1 2 343.427 2.638 40 0 biogenic,in-vitro EFABLO CN(C)c1cccc(C(=O)NCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000075179537 202372215 /nfs/dbraw/zinc/37/22/15/202372215.db2.gz DBXSCHVCEBCEPN-UHFFFAOYSA-N 1 2 334.423 2.927 40 0 EFABLO O=C(C[NH+]1CC(c2nc(-c3ccsc3)no2)C1)NC1CCCCC1 ZINC000075156519 202376411 /nfs/dbraw/zinc/37/64/11/202376411.db2.gz WGKSUXCLIMAWJH-UHFFFAOYSA-N 1 2 346.456 2.646 40 0 EFABLO CN(C(=O)Cn1ncc2ccccc21)C1CCN(c2cccc[nH+]2)CC1 ZINC000078617153 202398773 /nfs/dbraw/zinc/39/87/73/202398773.db2.gz FEVYTESHUDALKM-UHFFFAOYSA-N 1 2 349.438 2.559 40 0 EFABLO COc1cc(CCNC(=O)C2CC[NH+](CC(F)F)CC2)ccc1C ZINC000281009646 201325367 /nfs/dbraw/zinc/32/53/67/201325367.db2.gz SAROZUGJPURWJB-UHFFFAOYSA-N 1 2 340.414 2.639 40 0 EFABLO CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1(C)C ZINC000022839461 212328176 /nfs/dbraw/zinc/32/81/76/212328176.db2.gz ZXQJOZZZOCZEAZ-FUHWJXTLSA-N 1 2 343.471 2.773 40 0 EFABLO CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1(C)C ZINC000022839453 212327846 /nfs/dbraw/zinc/32/78/46/212327846.db2.gz ZXQJOZZZOCZEAZ-WMZOPIPTSA-N 1 2 343.471 2.773 40 0 EFABLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000022774243 212323916 /nfs/dbraw/zinc/32/39/16/212323916.db2.gz JZOLSNAOCWSHSZ-HNNXBMFYSA-N 1 2 349.906 2.905 40 0 EFABLO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022774243 212323920 /nfs/dbraw/zinc/32/39/20/212323920.db2.gz JZOLSNAOCWSHSZ-HNNXBMFYSA-N 1 2 349.906 2.905 40 0 EFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H]1c1cncc(C)n1 ZINC000257341174 240314433 /nfs/dbraw/zinc/31/44/33/240314433.db2.gz ZJCVAXMDKQUXLP-INIZCTEOSA-N 1 2 335.411 2.647 40 0 EFABLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CCC(c2cc[nH]n2)CC1 ZINC000225804437 242042528 /nfs/dbraw/zinc/04/25/28/242042528.db2.gz PDKIWPGCALPMRB-UHFFFAOYSA-N 1 2 349.438 2.603 40 0 EFABLO O=C(C[NH+]1CCC(O)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000021334868 212220454 /nfs/dbraw/zinc/22/04/54/212220454.db2.gz LMQBXZTXCDQJRK-UHFFFAOYSA-N 1 2 326.396 2.874 40 0 EFABLO Cc1ccc(N2CCCN(c3cc(C(F)(F)F)cc[nH+]3)CC2)nn1 ZINC000242197017 243012169 /nfs/dbraw/zinc/01/21/69/243012169.db2.gz XHAVDQMGCOOEKC-UHFFFAOYSA-N 1 2 337.349 2.916 40 0 EFABLO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@H]3COCC[NH2+]3)c2)C1 ZINC000253433614 243993042 /nfs/dbraw/zinc/99/30/42/243993042.db2.gz ZJAGHNLXZHRAQQ-ZTFGCOKTSA-N 1 2 332.444 2.709 40 0 EFABLO c1ccc(OCC[C@H]2CCOC23C[NH+](Cc2cccnc2)C3)nc1 ZINC000253601702 244033620 /nfs/dbraw/zinc/03/36/20/244033620.db2.gz DIZSLEKUCQPESZ-KRWDZBQOSA-N 1 2 325.412 2.537 40 0 EFABLO CCCn1ccnc1C[NH+]1CC2(C1)CO[C@H](Cc1cccnc1)C2 ZINC000257201321 244121455 /nfs/dbraw/zinc/12/14/55/244121455.db2.gz AHDSAVSHKHPKGO-QGZVFWFLSA-N 1 2 326.444 2.522 40 0 EFABLO Cc1[nH+]c([C@@]2(C)CCCN(C(=O)c3cncnc3)C2)c2sccn12 ZINC000257202431 244125199 /nfs/dbraw/zinc/12/51/99/244125199.db2.gz ALTRCFUSYSXYLV-KRWDZBQOSA-N 1 2 341.440 2.688 40 0 EFABLO CNC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccccc2C)C1 ZINC000257219140 244176657 /nfs/dbraw/zinc/17/66/57/244176657.db2.gz DFTSQXVQSLZDBZ-HNNXBMFYSA-N 1 2 340.427 2.503 40 0 EFABLO CNC(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2ccccc2C)C1 ZINC000257219140 244176670 /nfs/dbraw/zinc/17/66/70/244176670.db2.gz DFTSQXVQSLZDBZ-HNNXBMFYSA-N 1 2 340.427 2.503 40 0 EFABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C(=O)Cc1cccnc1 ZINC000257216343 244165583 /nfs/dbraw/zinc/16/55/83/244165583.db2.gz CUDNWUDCGRLTAP-QGZVFWFLSA-N 1 2 348.406 2.613 40 0 EFABLO CCCc1cc(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3OC)C2)no1 ZINC000257224878 244199754 /nfs/dbraw/zinc/19/97/54/244199754.db2.gz FDUYECZPFMLAOL-QGZVFWFLSA-N 1 2 343.427 2.765 40 0 EFABLO CCCc1cc(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3OC)C2)no1 ZINC000257224878 244199760 /nfs/dbraw/zinc/19/97/60/244199760.db2.gz FDUYECZPFMLAOL-QGZVFWFLSA-N 1 2 343.427 2.765 40 0 EFABLO Cc1cc(C(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)c(=O)[nH]c1C ZINC000257220169 244180380 /nfs/dbraw/zinc/18/03/80/244180380.db2.gz DJVWWQIGFPPPMG-INIZCTEOSA-N 1 2 340.427 2.842 40 0 EFABLO O=C(CCc1ccccc1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378524 203208903 /nfs/dbraw/zinc/20/89/03/203208903.db2.gz YEAQCRUQRYNKBP-SFHVURJKSA-N 1 2 347.422 2.959 40 0 EFABLO Cc1cc(Nc2ncccc2C)nc([C@@H]2CC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382594 203211031 /nfs/dbraw/zinc/21/10/31/203211031.db2.gz PIEYCHOVPAUGHX-OAHLLOKOSA-N 1 2 349.442 2.945 40 0 EFABLO Cc1cc(Nc2ncccc2C)nc([C@@H]2CC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382594 203211034 /nfs/dbraw/zinc/21/10/34/203211034.db2.gz PIEYCHOVPAUGHX-OAHLLOKOSA-N 1 2 349.442 2.945 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](c2cncc(C)n2)C1 ZINC000257233684 244219073 /nfs/dbraw/zinc/21/90/73/244219073.db2.gz GQFGGCULJBZJSM-INIZCTEOSA-N 1 2 349.438 2.849 40 0 EFABLO CCc1cc2cc3c(cc2nc1SCC[NH+]1CCOCC1)OCO3 ZINC000020151169 212106432 /nfs/dbraw/zinc/10/64/32/212106432.db2.gz XKIHKPWISSGRIF-UHFFFAOYSA-N 1 2 346.452 2.950 40 0 EFABLO Cc1cc(C(=O)N(C)CCc2ccccc2)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072387206 203212609 /nfs/dbraw/zinc/21/26/09/203212609.db2.gz ACLBMROHXXIDOJ-SFHVURJKSA-N 1 2 338.455 2.866 40 0 EFABLO Cc1cc(C(=O)N(C)CCc2ccccc2)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000072387206 203212611 /nfs/dbraw/zinc/21/26/11/203212611.db2.gz ACLBMROHXXIDOJ-SFHVURJKSA-N 1 2 338.455 2.866 40 0 EFABLO NC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccc(Cl)cc2)C1 ZINC000072361845 203205939 /nfs/dbraw/zinc/20/59/39/203205939.db2.gz DCVVIOXLORVIPY-GFCCVEGCSA-N 1 2 346.818 2.587 40 0 EFABLO NC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccc(Cl)cc2)C1 ZINC000072361845 203205941 /nfs/dbraw/zinc/20/59/41/203205941.db2.gz DCVVIOXLORVIPY-GFCCVEGCSA-N 1 2 346.818 2.587 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3nc(C(C)C)no3)C2)[nH+]1 ZINC000257240851 244242634 /nfs/dbraw/zinc/24/26/34/244242634.db2.gz HVKULYYEMZEOMO-ZDUSSCGKSA-N 1 2 331.420 2.563 40 0 EFABLO Cc1ccc(C[N@@H+]2CCC[C@]2(C)c2nc(C)cc(C(N)=O)n2)s1 ZINC000257242385 244247097 /nfs/dbraw/zinc/24/70/97/244247097.db2.gz ICFKJIQIMOJQFO-QGZVFWFLSA-N 1 2 330.457 2.765 40 0 EFABLO Cc1ccc(C[N@H+]2CCC[C@]2(C)c2nc(C)cc(C(N)=O)n2)s1 ZINC000257242385 244247104 /nfs/dbraw/zinc/24/71/04/244247104.db2.gz ICFKJIQIMOJQFO-QGZVFWFLSA-N 1 2 330.457 2.765 40 0 EFABLO Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000072369442 203208545 /nfs/dbraw/zinc/20/85/45/203208545.db2.gz VRFZHDJJVAUYHP-INIZCTEOSA-N 1 2 342.443 2.701 40 0 EFABLO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000257255121 244277725 /nfs/dbraw/zinc/27/77/25/244277725.db2.gz KGEDPBBPWWVTNY-OAHLLOKOSA-N 1 2 326.429 2.969 40 0 EFABLO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000257255121 244277732 /nfs/dbraw/zinc/27/77/32/244277732.db2.gz KGEDPBBPWWVTNY-OAHLLOKOSA-N 1 2 326.429 2.969 40 0 EFABLO CS(=O)(=O)c1ccc(C[NH+]2CCC(Cc3ccncc3)CC2)cc1 ZINC000257258054 244286172 /nfs/dbraw/zinc/28/61/72/244286172.db2.gz KSFNLLCOETZFOR-UHFFFAOYSA-N 1 2 344.480 2.940 40 0 EFABLO O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257265732 244360981 /nfs/dbraw/zinc/36/09/81/244360981.db2.gz MABBXKNYSYADEW-OAHLLOKOSA-N 1 2 349.438 2.676 40 0 EFABLO CCOc1ncccc1C(=O)N1CCC[C@H](c2cc[nH+]c(NC)c2)C1 ZINC000257269537 244374795 /nfs/dbraw/zinc/37/47/95/244374795.db2.gz MQJSLGRKEDJBMY-HNNXBMFYSA-N 1 2 340.427 2.937 40 0 EFABLO CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)n1 ZINC000257275691 244391263 /nfs/dbraw/zinc/39/12/63/244391263.db2.gz NQMMQPYGFRMLSV-SFHVURJKSA-N 1 2 341.459 2.832 40 0 EFABLO CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)n1 ZINC000257275691 244391270 /nfs/dbraw/zinc/39/12/70/244391270.db2.gz NQMMQPYGFRMLSV-SFHVURJKSA-N 1 2 341.459 2.832 40 0 EFABLO Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257276759 244395229 /nfs/dbraw/zinc/39/52/29/244395229.db2.gz NUZCTGPKJZJJFV-MRXNPFEDSA-N 1 2 329.448 2.718 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)[nH+]1 ZINC000257287444 244423800 /nfs/dbraw/zinc/42/38/00/244423800.db2.gz PQAIGEZEIWVVIM-AWEZNQCLSA-N 1 2 337.379 2.812 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)CCc3cnn(C)c3C)C2)cc[nH+]1 ZINC000257307566 244480970 /nfs/dbraw/zinc/48/09/70/244480970.db2.gz SZGIOAYJFKVUJH-QGZVFWFLSA-N 1 2 341.459 2.504 40 0 EFABLO Cc1ncc(-c2nccnc2[C@H]2CCCN(c3cccc[nH+]3)C2)n1C ZINC000257315048 244500868 /nfs/dbraw/zinc/50/08/68/244500868.db2.gz UZRZFYZDUASONR-HNNXBMFYSA-N 1 2 334.427 2.965 40 0 EFABLO c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)nc1 ZINC000107257893 204230776 /nfs/dbraw/zinc/23/07/76/204230776.db2.gz KXWOZZLIBZCRKW-CGTJXYLNSA-N 1 2 325.412 2.535 40 0 EFABLO c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)nc1 ZINC000107257893 204230780 /nfs/dbraw/zinc/23/07/80/204230780.db2.gz KXWOZZLIBZCRKW-CGTJXYLNSA-N 1 2 325.412 2.535 40 0 EFABLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCO[C@@H](C)C2)C[C@@H](C)O1 ZINC000047569675 204335590 /nfs/dbraw/zinc/33/55/90/204335590.db2.gz GOEYPZCIMMXAFT-ARFHVFGLSA-N 1 2 347.459 2.548 40 0 EFABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000044448689 204299047 /nfs/dbraw/zinc/29/90/47/204299047.db2.gz FFGVHVQCMQOOPJ-UHFFFAOYSA-N 1 2 347.846 2.832 40 0 EFABLO O=C(CCc1ccc(F)cc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130395428 205238117 /nfs/dbraw/zinc/23/81/17/205238117.db2.gz AOICQBMXEJPGOI-KRWDZBQOSA-N 1 2 327.403 2.939 40 0 EFABLO COc1ccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1F ZINC000130788257 205258110 /nfs/dbraw/zinc/25/81/10/205258110.db2.gz UPPHOZSYAXLZHU-CQSZACIVSA-N 1 2 329.375 2.628 40 0 EFABLO CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000266029010 248044397 /nfs/dbraw/zinc/04/43/97/248044397.db2.gz DHXUHYXHPIOZDN-ZDUSSCGKSA-N 1 2 328.416 2.558 40 0 EFABLO Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000095407290 218344139 /nfs/dbraw/zinc/34/41/39/218344139.db2.gz HNTKQOWIWLUEIN-ZDUSSCGKSA-N 1 2 349.385 2.832 40 0 EFABLO Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000095407290 218344141 /nfs/dbraw/zinc/34/41/41/218344141.db2.gz HNTKQOWIWLUEIN-ZDUSSCGKSA-N 1 2 349.385 2.832 40 0 EFABLO O=[S@@](Cc1ccon1)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000095409390 218345475 /nfs/dbraw/zinc/34/54/75/218345475.db2.gz LBNOCXHGQXWHIW-LJQANCHMSA-N 1 2 340.202 2.534 40 0 EFABLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCOC2(CCCC2)C1 ZINC000095421886 218364093 /nfs/dbraw/zinc/36/40/93/218364093.db2.gz OHLMFYNZCWURNX-UHFFFAOYSA-N 1 2 340.427 2.727 40 0 EFABLO O[C@H](COCc1ccccc1F)Cn1cc[nH+]c1-c1ccncc1 ZINC000096435828 218814693 /nfs/dbraw/zinc/81/46/93/218814693.db2.gz WYPJNRZOPQDDQC-INIZCTEOSA-N 1 2 327.359 2.662 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000096467201 218847318 /nfs/dbraw/zinc/84/73/18/218847318.db2.gz MTKYWDUUWRBZNN-OAHLLOKOSA-N 1 2 348.472 2.884 40 0 EFABLO Cc1ncsc1C[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000096486215 218863891 /nfs/dbraw/zinc/86/38/91/218863891.db2.gz KHBHRHKOZNNYHE-GFCCVEGCSA-N 1 2 340.246 2.530 40 0 EFABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccn(C)c2)CC1 ZINC000096503162 218879942 /nfs/dbraw/zinc/87/99/42/218879942.db2.gz WZQVNJOVRNNONM-AWEZNQCLSA-N 1 2 332.473 2.675 40 0 EFABLO COc1c(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)c(C)nn1C ZINC000097375519 219018211 /nfs/dbraw/zinc/01/82/11/219018211.db2.gz VKQOHTAJNROCSP-KRWDZBQOSA-N 1 2 329.444 2.571 40 0 EFABLO COc1c(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c(C)nn1C ZINC000097375519 219018212 /nfs/dbraw/zinc/01/82/12/219018212.db2.gz VKQOHTAJNROCSP-KRWDZBQOSA-N 1 2 329.444 2.571 40 0 EFABLO COc1cccc([C@@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)c1 ZINC000095533551 257701274 /nfs/dbraw/zinc/70/12/74/257701274.db2.gz GKRSSZLYTAVIRC-MRXNPFEDSA-N 1 2 328.347 2.580 40 0 EFABLO Cc1csc(C(=O)N2CC[NH+](C[C@H](O)c3cccs3)CC2)c1 ZINC000049031418 257853873 /nfs/dbraw/zinc/85/38/73/257853873.db2.gz ZFELXEJCYCAWGQ-ZDUSSCGKSA-N 1 2 336.482 2.609 40 0 EFABLO CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000056945349 132198261 /nfs/dbraw/zinc/19/82/61/132198261.db2.gz UTZJQESAYLAQSH-KRWDZBQOSA-N 1 2 327.428 2.669 40 0 EFABLO Cc1oc2ccccc2c(=O)c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000001611321 135655766 /nfs/dbraw/zinc/65/57/66/135655766.db2.gz TYKRNLKNDDQARF-UHFFFAOYSA-N 1 2 335.407 2.819 40 0 EFABLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc(OC)c1O ZINC000072340967 286221139 /nfs/dbraw/zinc/22/11/39/286221139.db2.gz WFSNNATUOOWRJL-CJNGLKHVSA-N 1 2 341.411 2.770 40 0 EFABLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc(C)nc2C3)cc(OC)c1O ZINC000072340967 286221140 /nfs/dbraw/zinc/22/11/40/286221140.db2.gz WFSNNATUOOWRJL-CJNGLKHVSA-N 1 2 341.411 2.770 40 0 EFABLO O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CCC(Cc2ccccc2)CC1 ZINC000378074605 152001626 /nfs/dbraw/zinc/00/16/26/152001626.db2.gz UQLIMRYSUJDFJE-KRWDZBQOSA-N 1 2 338.455 2.931 40 0 EFABLO O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CCC(Cc2ccccc2)CC1 ZINC000378074605 152001632 /nfs/dbraw/zinc/00/16/32/152001632.db2.gz UQLIMRYSUJDFJE-KRWDZBQOSA-N 1 2 338.455 2.931 40 0 EFABLO C[N@H+](Cc1cnccn1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000096486767 544558641 /nfs/dbraw/zinc/55/86/41/544558641.db2.gz CVCWHXPPKXAZEQ-OAHLLOKOSA-N 1 2 334.782 2.506 40 0 EFABLO C[N@@H+](Cc1cnccn1)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000096486767 544558646 /nfs/dbraw/zinc/55/86/46/544558646.db2.gz CVCWHXPPKXAZEQ-OAHLLOKOSA-N 1 2 334.782 2.506 40 0 EFABLO Cc1cccn2cc(CCNC(=O)[C@H](O)c3ccccc3Cl)[nH+]c12 ZINC000096487098 544559253 /nfs/dbraw/zinc/55/92/53/544559253.db2.gz KVPUIXKADHYEJR-MRXNPFEDSA-N 1 2 343.814 2.688 40 0 EFABLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000096487351 544559806 /nfs/dbraw/zinc/55/98/06/544559806.db2.gz YUNVOJCDMSYTKT-LPHOPBHVSA-N 1 2 346.377 2.775 40 0 EFABLO C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000096487351 544559810 /nfs/dbraw/zinc/55/98/10/544559810.db2.gz YUNVOJCDMSYTKT-LPHOPBHVSA-N 1 2 346.377 2.775 40 0 EFABLO CC(C)(C)OC(=O)NC1(c2noc(Cn3cc[nH+]c3)n2)CCCC1 ZINC000097104554 272998655 /nfs/dbraw/zinc/99/86/55/272998655.db2.gz AVVZSBIPLRNPSR-UHFFFAOYSA-N 1 2 333.392 2.608 40 0 EFABLO CC(=O)N1CCc2[nH+]cn(C(C)C)c2[C@H]1C(=O)NC1CCCCCC1 ZINC000096037549 277013618 /nfs/dbraw/zinc/01/36/18/277013618.db2.gz ZORMEVZRCZJURO-SFHVURJKSA-N 1 2 346.475 2.749 40 0 EFABLO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c1C ZINC000030029224 277101506 /nfs/dbraw/zinc/10/15/06/277101506.db2.gz UCNXFSHPASETFG-KRWDZBQOSA-N 1 2 339.439 2.963 40 0 EFABLO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c1C ZINC000030029224 277101507 /nfs/dbraw/zinc/10/15/07/277101507.db2.gz UCNXFSHPASETFG-KRWDZBQOSA-N 1 2 339.439 2.963 40 0 EFABLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)nc1 ZINC000257233864 278124831 /nfs/dbraw/zinc/12/48/31/278124831.db2.gz GRCCJHIIFJZYJK-SFHVURJKSA-N 1 2 341.459 2.832 40 0 EFABLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2nccn2C(C)C)nc1 ZINC000257233864 278124833 /nfs/dbraw/zinc/12/48/33/278124833.db2.gz GRCCJHIIFJZYJK-SFHVURJKSA-N 1 2 341.459 2.832 40 0 EFABLO CCS(=O)(=O)c1ccccc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000225522932 280033916 /nfs/dbraw/zinc/03/39/16/280033916.db2.gz CIXXHXAIDRGMER-UHFFFAOYSA-N 1 2 345.468 2.592 40 0 EFABLO O=C1COC2(CC[NH+](Cc3nccs3)CC2)CN1c1ccsc1 ZINC000096159158 280265887 /nfs/dbraw/zinc/26/58/87/280265887.db2.gz SLWPZRXLUGDXOX-UHFFFAOYSA-N 1 2 349.481 2.603 40 0 EFABLO C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2Cc2ccccc2C(=O)[O-])n1 ZINC000257221659 289226801 /nfs/dbraw/zinc/22/68/01/289226801.db2.gz DQAFRCPZYIEPJW-KRWDZBQOSA-N 1 2 340.427 2.574 40 0 EFABLO C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2Cc2ccccc2C(=O)[O-])n1 ZINC000257221659 289226802 /nfs/dbraw/zinc/22/68/02/289226802.db2.gz DQAFRCPZYIEPJW-KRWDZBQOSA-N 1 2 340.427 2.574 40 0 EFABLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1Cc1nnc2n1CCOC2 ZINC000253417442 295390154 /nfs/dbraw/zinc/39/01/54/295390154.db2.gz OEEBTQPBLFASNZ-ZBFHGGJFSA-N 1 2 342.443 2.790 40 0 EFABLO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1Cc1nnc2n1CCOC2 ZINC000253417442 295390156 /nfs/dbraw/zinc/39/01/56/295390156.db2.gz OEEBTQPBLFASNZ-ZBFHGGJFSA-N 1 2 342.443 2.790 40 0 EFABLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nnc2n1CCOC2 ZINC000253417441 295391408 /nfs/dbraw/zinc/39/14/08/295391408.db2.gz OEEBTQPBLFASNZ-HOCLYGCPSA-N 1 2 342.443 2.790 40 0 EFABLO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1Cc1nnc2n1CCOC2 ZINC000253417441 295391410 /nfs/dbraw/zinc/39/14/10/295391410.db2.gz OEEBTQPBLFASNZ-HOCLYGCPSA-N 1 2 342.443 2.790 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2[nH]c3ccc(F)cc3c2C)[nH+]1 ZINC000257233839 301024855 /nfs/dbraw/zinc/02/48/55/301024855.db2.gz GQYGGGOGLDMZBB-OAHLLOKOSA-N 1 2 342.374 2.861 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc3cccc(F)c3[nH]2)[nH+]1 ZINC000257332116 301025399 /nfs/dbraw/zinc/02/53/99/301025399.db2.gz XVUYHWQABOSSBA-CQSZACIVSA-N 1 2 328.347 2.552 40 0 EFABLO Cc1cc(N2CCC[C@H]2c2cccc(CCC(=O)N(C)C)n2)nc[nH+]1 ZINC000072382857 301338462 /nfs/dbraw/zinc/33/84/62/301338462.db2.gz YAAJGNNWDYLGQG-KRWDZBQOSA-N 1 2 339.443 2.542 40 0 EFABLO OC[C@H]1CCCN(c2cc(N[C@@H]3CCCC(F)(F)C3)[nH+]cn2)C1 ZINC000330172169 311308095 /nfs/dbraw/zinc/30/80/95/311308095.db2.gz GDIXWYDDDJORFA-QWHCGFSZSA-N 1 2 326.391 2.675 40 0 EFABLO OC[C@H]1CCCN(c2cc(N[C@@H]3CCCC(F)(F)C3)nc[nH+]2)C1 ZINC000330172169 311308096 /nfs/dbraw/zinc/30/80/96/311308096.db2.gz GDIXWYDDDJORFA-QWHCGFSZSA-N 1 2 326.391 2.675 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000097234227 323213779 /nfs/dbraw/zinc/21/37/79/323213779.db2.gz FYFRWGJIKUHXTN-OAHLLOKOSA-N 1 2 330.436 2.699 40 0 EFABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)cc1OC ZINC000095534243 473223127 /nfs/dbraw/zinc/22/31/27/473223127.db2.gz ILJFISXFNKARDB-MRXNPFEDSA-N 1 2 340.383 2.633 40 0 EFABLO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)cc1OC ZINC000095534243 473223133 /nfs/dbraw/zinc/22/31/33/473223133.db2.gz ILJFISXFNKARDB-MRXNPFEDSA-N 1 2 340.383 2.633 40 0 EFABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)cc1OCC ZINC000095534501 473223737 /nfs/dbraw/zinc/22/37/37/473223737.db2.gz UXTFHTIJUKRIIR-MRXNPFEDSA-N 1 2 339.399 2.712 40 0 EFABLO CCOc1ccc([C@@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)cc1OCC ZINC000095534501 473223741 /nfs/dbraw/zinc/22/37/41/473223741.db2.gz UXTFHTIJUKRIIR-MRXNPFEDSA-N 1 2 339.399 2.712 40 0 EFABLO CC(C)[C@@H]([NH3+])c1nc(-c2ccc(I)cc2)n[nH]1 ZINC000095534755 473224233 /nfs/dbraw/zinc/22/42/33/473224233.db2.gz ZPVAUYLSJXSMMT-SNVBAGLBSA-N 1 2 342.184 2.732 40 0 EFABLO Cc1ccc(S(=O)(=O)N2CC3(CC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000095936728 473224630 /nfs/dbraw/zinc/22/46/30/473224630.db2.gz JSUSYNCRRVARDK-UHFFFAOYSA-N 1 2 342.464 2.644 40 0 EFABLO Cc1ccc(S(=O)(=O)N2CC3(CC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000095936728 473224637 /nfs/dbraw/zinc/22/46/37/473224637.db2.gz JSUSYNCRRVARDK-UHFFFAOYSA-N 1 2 342.464 2.644 40 0 EFABLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040671 473261285 /nfs/dbraw/zinc/26/12/85/473261285.db2.gz MFOMPQVJNWRSBT-DBVUQKKJSA-N 1 2 341.455 2.786 40 0 EFABLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040671 473261294 /nfs/dbraw/zinc/26/12/94/473261294.db2.gz MFOMPQVJNWRSBT-DBVUQKKJSA-N 1 2 341.455 2.786 40 0 EFABLO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2nccs2)C[C@@H]2CCCO[C@H]12 ZINC000096040670 473261438 /nfs/dbraw/zinc/26/14/38/473261438.db2.gz CUXUVUJIHARONM-LESCRADOSA-N 1 2 347.484 2.848 40 0 EFABLO CN(Cc1ccco1)[C@@H]1C[N@@H+](Cc2nccs2)C[C@@H]2CCCO[C@H]12 ZINC000096040670 473261442 /nfs/dbraw/zinc/26/14/42/473261442.db2.gz CUXUVUJIHARONM-LESCRADOSA-N 1 2 347.484 2.848 40 0 EFABLO CCc1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)on1 ZINC000081827770 473262433 /nfs/dbraw/zinc/26/24/33/473262433.db2.gz MECHZQDWYDVSCD-QGZVFWFLSA-N 1 2 331.391 2.657 40 0 EFABLO CCc1cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)on1 ZINC000081827770 473262438 /nfs/dbraw/zinc/26/24/38/473262438.db2.gz MECHZQDWYDVSCD-QGZVFWFLSA-N 1 2 331.391 2.657 40 0 EFABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccco2)cs1 ZINC000096041752 473263354 /nfs/dbraw/zinc/26/33/54/473263354.db2.gz GIMJBLKMBPJTFS-GVDBMIGSSA-N 1 2 334.441 2.993 40 0 EFABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccco2)cs1 ZINC000096041752 473263363 /nfs/dbraw/zinc/26/33/63/473263363.db2.gz GIMJBLKMBPJTFS-GVDBMIGSSA-N 1 2 334.441 2.993 40 0 EFABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)no1 ZINC000096046070 473267889 /nfs/dbraw/zinc/26/78/89/473267889.db2.gz SADLKOHRNNUHPK-NWANDNLSSA-N 1 2 330.388 2.596 40 0 EFABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)no1 ZINC000096046070 473267894 /nfs/dbraw/zinc/26/78/94/473267894.db2.gz SADLKOHRNNUHPK-NWANDNLSSA-N 1 2 330.388 2.596 40 0 EFABLO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@H+](Cc1ccsc1)CCO2 ZINC000096049114 473270893 /nfs/dbraw/zinc/27/08/93/473270893.db2.gz NQEXXHBXBHFHGR-GOSISDBHSA-N 1 2 346.452 2.848 40 0 EFABLO O=C(c1ccco1)N1CCC[C@]2(C1)C[N@@H+](Cc1ccsc1)CCO2 ZINC000096049114 473270897 /nfs/dbraw/zinc/27/08/97/473270897.db2.gz NQEXXHBXBHFHGR-GOSISDBHSA-N 1 2 346.452 2.848 40 0 EFABLO Fc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)cc1 ZINC000096055277 473278162 /nfs/dbraw/zinc/27/81/62/473278162.db2.gz AOOYDEYZRXJGSY-KBAYOESNSA-N 1 2 343.402 2.674 40 0 EFABLO Fc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)cc1 ZINC000096055277 473278172 /nfs/dbraw/zinc/27/81/72/473278172.db2.gz AOOYDEYZRXJGSY-KBAYOESNSA-N 1 2 343.402 2.674 40 0 EFABLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2ccncc2)[C@@H]2CCCO[C@H]12 ZINC000096056373 473281515 /nfs/dbraw/zinc/28/15/15/473281515.db2.gz LKLGFQAYSVQUBZ-QRVBRYPASA-N 1 2 327.428 2.538 40 0 EFABLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2ccncc2)[C@@H]2CCCO[C@H]12 ZINC000096056373 473281522 /nfs/dbraw/zinc/28/15/22/473281522.db2.gz LKLGFQAYSVQUBZ-QRVBRYPASA-N 1 2 327.428 2.538 40 0 EFABLO c1coc(C[N@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096059156 473282957 /nfs/dbraw/zinc/28/29/57/473282957.db2.gz PFZUGOUIPILVMR-MRXNPFEDSA-N 1 2 338.411 2.720 40 0 EFABLO c1coc(C[N@@H+]2Cc3nccn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096059156 473282965 /nfs/dbraw/zinc/28/29/65/473282965.db2.gz PFZUGOUIPILVMR-MRXNPFEDSA-N 1 2 338.411 2.720 40 0 EFABLO c1coc(CN2Cc3[nH+]ccn3C[C@H](COCc3ccccn3)C2)c1 ZINC000096059156 473282975 /nfs/dbraw/zinc/28/29/75/473282975.db2.gz PFZUGOUIPILVMR-MRXNPFEDSA-N 1 2 338.411 2.720 40 0 EFABLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1ccc(C)s1 ZINC000096060550 473284781 /nfs/dbraw/zinc/28/47/81/473284781.db2.gz GYQKSYUMLVDTIT-INIZCTEOSA-N 1 2 332.473 2.804 40 0 EFABLO COC[C@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1ccc(C)s1 ZINC000096060550 473284789 /nfs/dbraw/zinc/28/47/89/473284789.db2.gz GYQKSYUMLVDTIT-INIZCTEOSA-N 1 2 332.473 2.804 40 0 EFABLO O=C(c1cccs1)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062486 473285615 /nfs/dbraw/zinc/28/56/15/473285615.db2.gz ONCVYMQNWXTXNT-GOSISDBHSA-N 1 2 343.452 2.512 40 0 EFABLO Cc1ccc(CN2C[C@@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)o1 ZINC000096064579 473288134 /nfs/dbraw/zinc/28/81/34/473288134.db2.gz FWSIIRAJITWOJY-AQNXPRMDSA-N 1 2 341.455 2.847 40 0 EFABLO Cc1ccc(CN2C[C@@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)o1 ZINC000096064579 473288139 /nfs/dbraw/zinc/28/81/39/473288139.db2.gz FWSIIRAJITWOJY-AQNXPRMDSA-N 1 2 341.455 2.847 40 0 EFABLO Cc1nc(C[N@@H+]2CC[C@@]23CCN(C(=O)Cc2cccs2)C3)cs1 ZINC000096076041 473290414 /nfs/dbraw/zinc/29/04/14/473290414.db2.gz ZNRJJVCDZOJOAX-QGZVFWFLSA-N 1 2 347.509 2.933 40 0 EFABLO Cc1nc(C[N@H+]2CC[C@@]23CCN(C(=O)Cc2cccs2)C3)cs1 ZINC000096076041 473290420 /nfs/dbraw/zinc/29/04/20/473290420.db2.gz ZNRJJVCDZOJOAX-QGZVFWFLSA-N 1 2 347.509 2.933 40 0 EFABLO c1csc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107527 473300302 /nfs/dbraw/zinc/30/03/02/473300302.db2.gz GFPKIZDWMHOOBQ-YOEHRIQHSA-N 1 2 331.441 2.741 40 0 EFABLO c1csc(C[N@H+]2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107527 473300305 /nfs/dbraw/zinc/30/03/05/473300305.db2.gz GFPKIZDWMHOOBQ-YOEHRIQHSA-N 1 2 331.441 2.741 40 0 EFABLO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)cc1 ZINC000096111893 473305940 /nfs/dbraw/zinc/30/59/40/473305940.db2.gz MNEPPTLHGLHZNE-WMZOPIPTSA-N 1 2 338.407 2.694 40 0 biogenic,in-vitro EFABLO COc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)cc1 ZINC000096111893 473305941 /nfs/dbraw/zinc/30/59/41/473305941.db2.gz MNEPPTLHGLHZNE-WMZOPIPTSA-N 1 2 338.407 2.694 40 0 biogenic,in-vitro EFABLO COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)c1 ZINC000096111912 473305960 /nfs/dbraw/zinc/30/59/60/473305960.db2.gz XFNKGEOOMDMEHE-WMZOPIPTSA-N 1 2 338.407 2.694 40 0 biogenic,in-vitro EFABLO COc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)c1 ZINC000096111912 473305963 /nfs/dbraw/zinc/30/59/63/473305963.db2.gz XFNKGEOOMDMEHE-WMZOPIPTSA-N 1 2 338.407 2.694 40 0 biogenic,in-vitro EFABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccccn2)Oc2ccccc2N1CC1CC1 ZINC000096111813 473306002 /nfs/dbraw/zinc/30/60/02/473306002.db2.gz WSLMESLTRYEFPD-HKUYNNGSSA-N 1 2 349.434 2.860 40 0 biogenic,in-vitro EFABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccccn2)Oc2ccccc2N1CC1CC1 ZINC000096111813 473306012 /nfs/dbraw/zinc/30/60/12/473306012.db2.gz WSLMESLTRYEFPD-HKUYNNGSSA-N 1 2 349.434 2.860 40 0 biogenic,in-vitro EFABLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096185972 473326848 /nfs/dbraw/zinc/32/68/48/473326848.db2.gz GHOZOIGSCWKQGO-QRVBRYPASA-N 1 2 327.428 2.538 40 0 EFABLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096185972 473326855 /nfs/dbraw/zinc/32/68/55/473326855.db2.gz GHOZOIGSCWKQGO-QRVBRYPASA-N 1 2 327.428 2.538 40 0 EFABLO Cc1cc(C[N@@H+]2C[C@H](OCc3cccc(C)n3)[C@H]3OCCC[C@H]32)no1 ZINC000096187150 473328999 /nfs/dbraw/zinc/32/89/99/473328999.db2.gz APPUFIXMFNOZMC-QYZOEREBSA-N 1 2 343.427 2.635 40 0 EFABLO Cc1cc(C[N@H+]2C[C@H](OCc3cccc(C)n3)[C@H]3OCCC[C@H]32)no1 ZINC000096187150 473329005 /nfs/dbraw/zinc/32/90/05/473329005.db2.gz APPUFIXMFNOZMC-QYZOEREBSA-N 1 2 343.427 2.635 40 0 EFABLO O=C(c1ccsc1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187896 473329171 /nfs/dbraw/zinc/32/91/71/473329171.db2.gz RLDSATZULSGDLM-AWEZNQCLSA-N 1 2 331.441 2.643 40 0 EFABLO O=C(NCc1cncc2c1CC[N@@H+](Cc1ccc(F)cc1)C2)C1CC1 ZINC000096189498 473331042 /nfs/dbraw/zinc/33/10/42/473331042.db2.gz ZVRSDTLONZRBDT-UHFFFAOYSA-N 1 2 339.414 2.805 40 0 EFABLO O=C(NCc1cncc2c1CC[N@H+](Cc1ccc(F)cc1)C2)C1CC1 ZINC000096189498 473331049 /nfs/dbraw/zinc/33/10/49/473331049.db2.gz ZVRSDTLONZRBDT-UHFFFAOYSA-N 1 2 339.414 2.805 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)s1 ZINC000096188419 473331119 /nfs/dbraw/zinc/33/11/19/473331119.db2.gz SWSGRRQLGGHUTE-HNNXBMFYSA-N 1 2 344.484 2.507 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@@H](CN3CCCC3=O)C2)s1 ZINC000096188419 473331121 /nfs/dbraw/zinc/33/11/21/473331121.db2.gz SWSGRRQLGGHUTE-HNNXBMFYSA-N 1 2 344.484 2.507 40 0 EFABLO Cc1noc(C)c1C[N@H+]1Cc2cn(C)nc2[C@@H](COCC2CC2)C1 ZINC000096198012 473334278 /nfs/dbraw/zinc/33/42/78/473334278.db2.gz JFUBPOMVXQIOTM-MRXNPFEDSA-N 1 2 330.432 2.551 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1Cc2cn(C)nc2[C@@H](COCC2CC2)C1 ZINC000096198012 473334285 /nfs/dbraw/zinc/33/42/85/473334285.db2.gz JFUBPOMVXQIOTM-MRXNPFEDSA-N 1 2 330.432 2.551 40 0 EFABLO C[N@H+](Cc1cn2c(n1)CN(Cc1ccco1)CC2)Cc1cccnc1 ZINC000096197483 473334297 /nfs/dbraw/zinc/33/42/97/473334297.db2.gz PCVDGMXCDUVCBN-UHFFFAOYSA-N 1 2 337.427 2.519 40 0 EFABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1ccco1)CC2)Cc1cccnc1 ZINC000096197483 473334299 /nfs/dbraw/zinc/33/42/99/473334299.db2.gz PCVDGMXCDUVCBN-UHFFFAOYSA-N 1 2 337.427 2.519 40 0 EFABLO O=C(Cc1cccs1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096209579 473344035 /nfs/dbraw/zinc/34/40/35/473344035.db2.gz DUFCEUWGXPQVOB-OAHLLOKOSA-N 1 2 345.468 2.572 40 0 EFABLO Cc1c[nH+]ccc1NC(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000083608206 473355301 /nfs/dbraw/zinc/35/53/01/473355301.db2.gz CSTABDSDSVPICK-UHFFFAOYSA-N 1 2 340.351 2.780 40 0 EFABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000096244907 473363079 /nfs/dbraw/zinc/36/30/79/473363079.db2.gz SCNZJFOTZKITDL-WFASDCNBSA-N 1 2 333.844 2.753 40 0 EFABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000096244907 473363085 /nfs/dbraw/zinc/36/30/85/473363085.db2.gz SCNZJFOTZKITDL-WFASDCNBSA-N 1 2 333.844 2.753 40 0 EFABLO CC(C)n1cnc2c1[C@H](C(=O)NC1CCCC1)[N@H+](CC1CC1)CC2 ZINC000096265017 473369561 /nfs/dbraw/zinc/36/95/61/473369561.db2.gz TUZXZJCRIKCFDY-GOSISDBHSA-N 1 2 330.476 2.832 40 0 EFABLO CC(C)n1cnc2c1[C@H](C(=O)NC1CCCC1)[N@@H+](CC1CC1)CC2 ZINC000096265017 473369568 /nfs/dbraw/zinc/36/95/68/473369568.db2.gz TUZXZJCRIKCFDY-GOSISDBHSA-N 1 2 330.476 2.832 40 0 EFABLO Cc1onc2c1c(C)nn(C[N@@H+]1CCC[C@H]1Cc1ccccc1)c2=O ZINC000096403279 473380625 /nfs/dbraw/zinc/38/06/25/473380625.db2.gz TYOURANPZSJENP-INIZCTEOSA-N 1 2 338.411 2.666 40 0 EFABLO Cc1onc2c1c(C)nn(C[N@H+]1CCC[C@H]1Cc1ccccc1)c2=O ZINC000096403279 473380633 /nfs/dbraw/zinc/38/06/33/473380633.db2.gz TYOURANPZSJENP-INIZCTEOSA-N 1 2 338.411 2.666 40 0 EFABLO CC(=O)Nc1ccc([S@](=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000083977419 473378299 /nfs/dbraw/zinc/37/82/99/473378299.db2.gz SJABKSMEOWMLKK-QHCPKHFHSA-N 1 2 327.409 2.909 40 0 EFABLO C[NH+](C)[C@H](CNC(=O)COC1CCCC1)c1c(F)cccc1F ZINC000096406380 473383242 /nfs/dbraw/zinc/38/32/42/473383242.db2.gz OFJVOFYLBRQKOL-OAHLLOKOSA-N 1 2 326.387 2.643 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccc(C)cc2)n(C)n1 ZINC000096407682 473385717 /nfs/dbraw/zinc/38/57/17/473385717.db2.gz KNXCNICXINQBPI-MRXNPFEDSA-N 1 2 344.484 2.766 40 0 EFABLO Cc1cc(NC(=O)C[N@H+]2CCSC[C@@H]2c2ccc(C)cc2)n(C)n1 ZINC000096407682 473385720 /nfs/dbraw/zinc/38/57/20/473385720.db2.gz KNXCNICXINQBPI-MRXNPFEDSA-N 1 2 344.484 2.766 40 0 EFABLO CN(C[C@H]1COc2ccccc2O1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000096410011 473387660 /nfs/dbraw/zinc/38/76/60/473387660.db2.gz FJJOELGEICHOLG-KRWDZBQOSA-N 1 2 349.390 2.784 40 0 EFABLO O=C(Nc1ccccn1)C1CC[NH+](Cc2nnc(C3CCC3)o2)CC1 ZINC000096410310 473388977 /nfs/dbraw/zinc/38/89/77/473388977.db2.gz FTDCFLXMSLRTTJ-UHFFFAOYSA-N 1 2 341.415 2.583 40 0 EFABLO CCOC(=O)C(=CNc1ccc([NH+](CC)CC)cc1)C(=O)OCC ZINC000001581055 471394015 /nfs/dbraw/zinc/39/40/15/471394015.db2.gz WULRIEFQFWJAFL-UHFFFAOYSA-N 1 2 334.416 2.955 40 0 EFABLO C[C@@H]1CCC[N@@H+]([C@H](c2nnnn2Cc2ccccc2)c2cccnc2)C1 ZINC000004925232 471478848 /nfs/dbraw/zinc/47/88/48/471478848.db2.gz AUVFDGPODCUOET-APWZRJJASA-N 1 2 348.454 2.938 40 0 EFABLO C[C@@H]1CCC[N@H+]([C@H](c2nnnn2Cc2ccccc2)c2cccnc2)C1 ZINC000004925232 471478857 /nfs/dbraw/zinc/47/88/57/471478857.db2.gz AUVFDGPODCUOET-APWZRJJASA-N 1 2 348.454 2.938 40 0 EFABLO Cc1ccc(C(=O)C2CC[NH+](CC(=O)NC3CCCC3)CC2)cc1 ZINC000004966924 471481740 /nfs/dbraw/zinc/48/17/40/471481740.db2.gz SSJDNJLMSOGXTN-UHFFFAOYSA-N 1 2 328.456 2.949 40 0 EFABLO COC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl ZINC000006792690 471570498 /nfs/dbraw/zinc/57/04/98/471570498.db2.gz MWFHUXHDDBMEQB-UHFFFAOYSA-N 1 2 334.788 2.734 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)no1 ZINC000008318269 471680647 /nfs/dbraw/zinc/68/06/47/471680647.db2.gz HCRYWUSBHBLWIL-CQSZACIVSA-N 1 2 343.383 2.530 40 0 EFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)no1 ZINC000008318269 471680652 /nfs/dbraw/zinc/68/06/52/471680652.db2.gz HCRYWUSBHBLWIL-CQSZACIVSA-N 1 2 343.383 2.530 40 0 EFABLO Cc1ccc2[nH+]c(COC(=O)c3ccc(-n4cncn4)cc3)cn2c1 ZINC000008459299 471689154 /nfs/dbraw/zinc/68/91/54/471689154.db2.gz NVALFAVIDBOQKW-UHFFFAOYSA-N 1 2 333.351 2.580 40 0 EFABLO CC(C)[N@H+](CC(N)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008532685 471693444 /nfs/dbraw/zinc/69/34/44/471693444.db2.gz VNYOIZMXBYJMKG-UHFFFAOYSA-N 1 2 341.411 2.613 40 0 EFABLO CC(C)[N@@H+](CC(N)=O)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000008532685 471693446 /nfs/dbraw/zinc/69/34/46/471693446.db2.gz VNYOIZMXBYJMKG-UHFFFAOYSA-N 1 2 341.411 2.613 40 0 EFABLO CC(=O)c1cccc(NC(=O)C[N@H+](C)CCOc2ccccc2F)c1 ZINC000008852612 471706070 /nfs/dbraw/zinc/70/60/70/471706070.db2.gz IAGVHBONNKLGAG-UHFFFAOYSA-N 1 2 344.386 2.978 40 0 EFABLO CC(=O)c1cccc(NC(=O)C[N@@H+](C)CCOc2ccccc2F)c1 ZINC000008852612 471706074 /nfs/dbraw/zinc/70/60/74/471706074.db2.gz IAGVHBONNKLGAG-UHFFFAOYSA-N 1 2 344.386 2.978 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccncc1)c1ccc(F)c(F)c1 ZINC000012114992 471764834 /nfs/dbraw/zinc/76/48/34/471764834.db2.gz JLTJHPWUYMJYPB-OAHLLOKOSA-N 1 2 328.322 2.613 40 0 EFABLO Cc1cc(-c2snnc2C2CCN(Cc3[nH]cc[nH+]3)CC2)on1 ZINC000012126436 471765047 /nfs/dbraw/zinc/76/50/47/471765047.db2.gz WRRBGFIYSKNLCY-UHFFFAOYSA-N 1 2 330.417 2.604 40 0 EFABLO Cc1cc(-c2snnc2C2CC[NH+](Cc3ncc[nH]3)CC2)on1 ZINC000012126436 471765052 /nfs/dbraw/zinc/76/50/52/471765052.db2.gz WRRBGFIYSKNLCY-UHFFFAOYSA-N 1 2 330.417 2.604 40 0 EFABLO COc1cccc([C@H](NC(=O)C2CCCC2)c2[nH+]ccn2C)c1OC ZINC000012114976 471765385 /nfs/dbraw/zinc/76/53/85/471765385.db2.gz RXJACSLMSNTPCI-INIZCTEOSA-N 1 2 343.427 2.833 40 0 EFABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@H+](Cc1ccccn1)CC3 ZINC000012142916 471766506 /nfs/dbraw/zinc/76/65/06/471766506.db2.gz VFCVOFNJIUMJSZ-UHFFFAOYSA-N 1 2 337.427 2.686 40 0 EFABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@@H+](Cc1ccccn1)CC3 ZINC000012142916 471766514 /nfs/dbraw/zinc/76/65/14/471766514.db2.gz VFCVOFNJIUMJSZ-UHFFFAOYSA-N 1 2 337.427 2.686 40 0 EFABLO CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)c1C ZINC000012147299 471766981 /nfs/dbraw/zinc/76/69/81/471766981.db2.gz NURCLULIPBMRDN-KRWDZBQOSA-N 1 2 344.434 2.987 40 0 EFABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@H+](Cc4cccc(C)n4)C3)cc2n1 ZINC000012222250 471768718 /nfs/dbraw/zinc/76/87/18/471768718.db2.gz YVBZVSARUAWVCA-CQSZACIVSA-N 1 2 337.427 2.690 40 0 EFABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@@H+](Cc4cccc(C)n4)C3)cc2n1 ZINC000012222250 471768723 /nfs/dbraw/zinc/76/87/23/471768723.db2.gz YVBZVSARUAWVCA-CQSZACIVSA-N 1 2 337.427 2.690 40 0 EFABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4cccnc4)C3)[nH]n2c1=O ZINC000012222240 471768992 /nfs/dbraw/zinc/76/89/92/471768992.db2.gz RMYBQIJUNFATSB-HNNXBMFYSA-N 1 2 337.427 2.690 40 0 EFABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4cccnc4)C3)[nH]n2c1=O ZINC000012222240 471768998 /nfs/dbraw/zinc/76/89/98/471768998.db2.gz RMYBQIJUNFATSB-HNNXBMFYSA-N 1 2 337.427 2.690 40 0 EFABLO CC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCSCC1 ZINC000020143338 471986887 /nfs/dbraw/zinc/98/68/87/471986887.db2.gz CZLUQTSJTVQBRX-MRXNPFEDSA-N 1 2 331.489 2.662 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)no1 ZINC000036686116 472004082 /nfs/dbraw/zinc/00/40/82/472004082.db2.gz BRUJUCDGGLMDDJ-CYBMUJFWSA-N 1 2 339.399 2.677 40 0 EFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)no1 ZINC000036686116 472004084 /nfs/dbraw/zinc/00/40/84/472004084.db2.gz BRUJUCDGGLMDDJ-CYBMUJFWSA-N 1 2 339.399 2.677 40 0 EFABLO O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067566546 472051352 /nfs/dbraw/zinc/05/13/52/472051352.db2.gz JKFQUVFPBLWXPF-DLBZAZTESA-N 1 2 338.386 2.871 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)Nc1cccnc1)c1ccccc1F ZINC000025065583 472079260 /nfs/dbraw/zinc/07/92/60/472079260.db2.gz RMGJRHDDHPJMCM-HNNXBMFYSA-N 1 2 325.347 2.865 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C2CC2)on1)c1ccccc1F ZINC000025585648 472103867 /nfs/dbraw/zinc/10/38/67/472103867.db2.gz YUXSAOZFEZKCEO-MRXNPFEDSA-N 1 2 340.358 2.944 40 0 EFABLO Cc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000067898668 472106110 /nfs/dbraw/zinc/10/61/10/472106110.db2.gz STUCAQKCMRVUGG-SFHVURJKSA-N 1 2 327.428 2.937 40 0 biogenic,in-vitro EFABLO Cc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000067898668 472106115 /nfs/dbraw/zinc/10/61/15/472106115.db2.gz STUCAQKCMRVUGG-SFHVURJKSA-N 1 2 327.428 2.937 40 0 biogenic,in-vitro EFABLO Brc1ccccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000027630928 472187825 /nfs/dbraw/zinc/18/78/25/472187825.db2.gz HLHBMZCDLKGLQH-UHFFFAOYSA-N 1 2 333.233 2.561 40 0 EFABLO Cc1[nH+]c2ccccc2n1CCNC(=O)c1cc(-c2ccco2)n[nH]1 ZINC000028442274 472226305 /nfs/dbraw/zinc/22/63/05/472226305.db2.gz RXQGDXDIJBMTGL-UHFFFAOYSA-N 1 2 335.367 2.758 40 0 EFABLO COc1ccc(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1F ZINC000044896765 472349205 /nfs/dbraw/zinc/34/92/05/472349205.db2.gz ZWSXERSKERIMMX-UHFFFAOYSA-N 1 2 340.358 2.687 40 0 EFABLO COc1cc(OC)cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000044904165 472350266 /nfs/dbraw/zinc/35/02/66/472350266.db2.gz XBFNVOBGJNYDMW-UHFFFAOYSA-N 1 2 337.379 2.820 40 0 EFABLO Cn1c(=O)oc2cc(NC(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)ccc21 ZINC000088380483 472360129 /nfs/dbraw/zinc/36/01/29/472360129.db2.gz UJPUVXHOZHZSGS-ZDUSSCGKSA-N 1 2 341.371 2.614 40 0 EFABLO Cc1cc(N)nc(S[C@H]2CCCN(Cc3ccccc3)C2=O)[nH+]1 ZINC000089634660 472473414 /nfs/dbraw/zinc/47/34/14/472473414.db2.gz IZWCWLOIAXOZSM-AWEZNQCLSA-N 1 2 328.441 2.651 40 0 EFABLO CSc1ccc(NC(=O)CN2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000032858041 472474568 /nfs/dbraw/zinc/47/45/68/472474568.db2.gz BMWGUZRGUKYFED-UHFFFAOYSA-N 1 2 345.468 2.758 40 0 EFABLO C[C@H](Nc1ccc(N(C)C)[nH+]c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000097231521 472484908 /nfs/dbraw/zinc/48/49/08/472484908.db2.gz QMVCLRTZQPFUAF-ZDUSSCGKSA-N 1 2 348.472 2.571 40 0 EFABLO Cc1cc2occ(CC(=O)NCC[NH+]3CCOCC3)c2cc1C(C)C ZINC000033002197 472488221 /nfs/dbraw/zinc/48/82/21/472488221.db2.gz PJHFNMDPQWCVAF-UHFFFAOYSA-N 1 2 344.455 2.856 40 0 EFABLO O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]nnc2c1 ZINC000058154215 472508311 /nfs/dbraw/zinc/50/83/11/472508311.db2.gz YHAKEOHJKIFDMR-QGZVFWFLSA-N 1 2 349.438 2.742 40 0 EFABLO O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc2[nH]nnc2c1 ZINC000058154215 472508317 /nfs/dbraw/zinc/50/83/17/472508317.db2.gz YHAKEOHJKIFDMR-QGZVFWFLSA-N 1 2 349.438 2.742 40 0 EFABLO Cc1cc2[nH+]cn(C[C@H](O)COc3ccc4c(c3)OCO4)c2cc1C ZINC000058158460 472509198 /nfs/dbraw/zinc/50/91/98/472509198.db2.gz DMZATMJYPYUUBY-AWEZNQCLSA-N 1 2 340.379 2.822 40 0 EFABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2N(C)C)cc1 ZINC000072212666 472632676 /nfs/dbraw/zinc/63/26/76/472632676.db2.gz WJOYOZIQXRLPKR-KRWDZBQOSA-N 1 2 345.468 2.982 40 0 EFABLO Cc1ccccc1NC(=O)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000090609217 472642143 /nfs/dbraw/zinc/64/21/43/472642143.db2.gz DXWLKZHERBEZRO-MRXNPFEDSA-N 1 2 349.500 2.667 40 0 EFABLO Cc1ccccc1NC(=O)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000090609216 472642727 /nfs/dbraw/zinc/64/27/27/472642727.db2.gz DXWLKZHERBEZRO-INIZCTEOSA-N 1 2 349.500 2.667 40 0 EFABLO CCn1nc(C)cc1C(=O)N1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000078915120 472789646 /nfs/dbraw/zinc/78/96/46/472789646.db2.gz MOBMINXVEVYTKY-HNNXBMFYSA-N 1 2 344.434 2.870 40 0 EFABLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc3c[nH]nc3c1)C[C@H]2O ZINC000121084758 472795607 /nfs/dbraw/zinc/79/56/07/472795607.db2.gz IDHFDWNFDMQGCX-MRXNPFEDSA-N 1 2 339.395 2.629 40 0 EFABLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc3c[nH]nc3c1)C[C@H]2O ZINC000121084758 472795612 /nfs/dbraw/zinc/79/56/12/472795612.db2.gz IDHFDWNFDMQGCX-MRXNPFEDSA-N 1 2 339.395 2.629 40 0 EFABLO Cc1cc(NC(=O)[C@H](NC(=O)Cc2ccccc2)C(C)C)cc[nH+]1 ZINC000079001789 472804238 /nfs/dbraw/zinc/80/42/38/472804238.db2.gz MCGSXLIBEYYTBP-GOSISDBHSA-N 1 2 325.412 2.712 40 0 EFABLO O=C(Cc1ccc(Br)s1)NCCCCn1cc[nH+]c1 ZINC000079312946 472847074 /nfs/dbraw/zinc/84/70/74/472847074.db2.gz UNGOXNYFWCLRHD-UHFFFAOYSA-N 1 2 342.262 2.846 40 0 EFABLO CCOc1nnc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)s1 ZINC000079311580 472847255 /nfs/dbraw/zinc/84/72/55/472847255.db2.gz BRKYQHNVUBTTSK-HNNXBMFYSA-N 1 2 333.457 2.809 40 0 EFABLO CCOc1nnc(C[N@@H+](CCCO)[C@H]2CCc3ccccc32)s1 ZINC000079311580 472847262 /nfs/dbraw/zinc/84/72/62/472847262.db2.gz BRKYQHNVUBTTSK-HNNXBMFYSA-N 1 2 333.457 2.809 40 0 EFABLO COc1ccc(Cl)cc1NCCC(=O)NCCCn1cc[nH+]c1 ZINC000079351755 472851204 /nfs/dbraw/zinc/85/12/04/472851204.db2.gz XKCIPOLDESSWNI-UHFFFAOYSA-N 1 2 336.823 2.554 40 0 EFABLO CC(C)COC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000079355147 472851916 /nfs/dbraw/zinc/85/19/16/472851916.db2.gz IYUOQTCNHUPTQN-IRXDYDNUSA-N 1 2 348.491 2.531 40 0 EFABLO CC(C)(C)OC(=O)NCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000079439403 472864305 /nfs/dbraw/zinc/86/43/05/472864305.db2.gz WCDRKGVJTRJUIV-UHFFFAOYSA-N 1 2 347.463 2.792 40 0 EFABLO CC(C)(C)OC(=O)NCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000079439403 472864312 /nfs/dbraw/zinc/86/43/12/472864312.db2.gz WCDRKGVJTRJUIV-UHFFFAOYSA-N 1 2 347.463 2.792 40 0 EFABLO C[C@H]1C[NH+](CCNC(=O)c2cnc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000065568803 472978868 /nfs/dbraw/zinc/97/88/68/472978868.db2.gz AJYLYNJEQWANHY-KBPBESRZSA-N 1 2 345.468 2.649 40 0 EFABLO O=C(NCc1ccco1)[C@H]1CCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000134899162 472987069 /nfs/dbraw/zinc/98/70/69/472987069.db2.gz YQAIJBAZEIYXRF-CYBMUJFWSA-N 1 2 339.317 2.979 40 0 EFABLO Fc1ccc(CN2CCC[N@H+](Cc3cnc4cnccn34)CC2)cc1 ZINC000123162438 473104620 /nfs/dbraw/zinc/10/46/20/473104620.db2.gz AYYUGEJTQRHZEU-UHFFFAOYSA-N 1 2 339.418 2.576 40 0 EFABLO Fc1ccc(CN2CCC[N@@H+](Cc3cnc4cnccn34)CC2)cc1 ZINC000123162438 473104625 /nfs/dbraw/zinc/10/46/25/473104625.db2.gz AYYUGEJTQRHZEU-UHFFFAOYSA-N 1 2 339.418 2.576 40 0 EFABLO Cc1cc(NCc2[nH+]ccn2CCCc2ccccc2)n2ncnc2n1 ZINC000081033236 473133438 /nfs/dbraw/zinc/13/34/38/473133438.db2.gz LVACYYODERFHBF-UHFFFAOYSA-N 1 2 347.426 2.874 40 0 EFABLO CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000081107682 473148050 /nfs/dbraw/zinc/14/80/50/473148050.db2.gz JEJFCZYTTUYJCM-CQSZACIVSA-N 1 2 341.415 2.804 40 0 EFABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NC1CCCCC1 ZINC000052815032 473150260 /nfs/dbraw/zinc/15/02/60/473150260.db2.gz KPNSWBBKLXJXLH-UHFFFAOYSA-N 1 2 331.460 2.651 40 0 EFABLO CC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCO1 ZINC000123515658 473150926 /nfs/dbraw/zinc/15/09/26/473150926.db2.gz VRQLQLJIFAMMOD-WBVHZDCISA-N 1 2 346.406 2.768 40 0 EFABLO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000110704965 473172748 /nfs/dbraw/zinc/17/27/48/473172748.db2.gz BRCNPISXZRHFHQ-RCBQFDQVSA-N 1 2 340.826 2.767 40 0 EFABLO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000110704965 473172751 /nfs/dbraw/zinc/17/27/51/473172751.db2.gz BRCNPISXZRHFHQ-RCBQFDQVSA-N 1 2 340.826 2.767 40 0 EFABLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC[C@H]1CCCO1 ZINC000096413899 473393233 /nfs/dbraw/zinc/39/32/33/473393233.db2.gz RWBDOMWZCYCWHS-QGZVFWFLSA-N 1 2 332.444 2.725 40 0 EFABLO O=C(C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)NCc1ccco1 ZINC000096414967 473393913 /nfs/dbraw/zinc/39/39/13/473393913.db2.gz UEMKPXMGUIBJEW-OAHLLOKOSA-N 1 2 344.386 2.630 40 0 EFABLO O=C(C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1)NCc1ccco1 ZINC000096414967 473393918 /nfs/dbraw/zinc/39/39/18/473393918.db2.gz UEMKPXMGUIBJEW-OAHLLOKOSA-N 1 2 344.386 2.630 40 0 EFABLO O=C(N[C@H]1CCC[C@H]1n1cc[nH+]c1)c1cccc(Nc2cnccn2)c1 ZINC000096414468 473394224 /nfs/dbraw/zinc/39/42/24/473394224.db2.gz FXPOHBKEADKXFI-DLBZAZTESA-N 1 2 348.410 2.940 40 0 EFABLO O=C(N[C@H]1CCC[C@@H]1n1cc[nH+]c1)c1cccc(Nc2cnccn2)c1 ZINC000096414466 473394697 /nfs/dbraw/zinc/39/46/97/473394697.db2.gz FXPOHBKEADKXFI-IRXDYDNUSA-N 1 2 348.410 2.940 40 0 EFABLO Cc1cc(NC(=O)NCCn2cc[nH+]c2)ccc1OCC(F)(F)F ZINC000096416028 473394880 /nfs/dbraw/zinc/39/48/80/473394880.db2.gz CHAWQQKZMGFJFX-UHFFFAOYSA-N 1 2 342.321 2.954 40 0 EFABLO Cc1cc(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)cc[nH+]1 ZINC000096420821 473399471 /nfs/dbraw/zinc/39/94/71/473399471.db2.gz RKFAMFGLUWFQPS-OAHLLOKOSA-N 1 2 332.448 2.796 40 0 EFABLO CCn1cnnc1C1CC[NH+]([C@H](C(=O)OC)c2ccccc2C)CC1 ZINC000162968708 473401009 /nfs/dbraw/zinc/40/10/09/473401009.db2.gz MAOHTHHZIDNAIW-KRWDZBQOSA-N 1 2 342.443 2.700 40 0 EFABLO Cc1nccc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000096425994 473405218 /nfs/dbraw/zinc/40/52/18/473405218.db2.gz NMPVYNYPTMAIGC-ZDUSSCGKSA-N 1 2 344.846 2.957 40 0 EFABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)CCCc3cccs3)CC2)S1 ZINC000096426930 473406118 /nfs/dbraw/zinc/40/61/18/473406118.db2.gz HBLDEWFDYMEWLG-ZDUSSCGKSA-N 1 2 337.514 2.706 40 0 EFABLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H](C)CCc3cccn3C)cn21 ZINC000096440605 473418606 /nfs/dbraw/zinc/41/86/06/473418606.db2.gz ZTTVEJKOTZOPHM-AWEZNQCLSA-N 1 2 339.443 2.802 40 0 EFABLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Cc1ccccc1O ZINC000096441044 473420613 /nfs/dbraw/zinc/42/06/13/473420613.db2.gz RZVFDOCRANLAFX-UHFFFAOYSA-N 1 2 335.407 2.838 40 0 EFABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3coc4ccccc43)CC2)S1 ZINC000096443755 473421130 /nfs/dbraw/zinc/42/11/30/473421130.db2.gz YHFWDIMCDVGWRV-LBPRGKRZSA-N 1 2 329.425 2.682 40 0 EFABLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000096455378 473430686 /nfs/dbraw/zinc/43/06/86/473430686.db2.gz XNBHCTLJTXZGNX-LBPRGKRZSA-N 1 2 348.403 2.771 40 0 EFABLO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000096455378 473430696 /nfs/dbraw/zinc/43/06/96/473430696.db2.gz XNBHCTLJTXZGNX-LBPRGKRZSA-N 1 2 348.403 2.771 40 0 EFABLO O=S(=O)(c1cccc2ncccc21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000096461863 473433373 /nfs/dbraw/zinc/43/33/73/473433373.db2.gz PASYZAHPVUCDID-CYBMUJFWSA-N 1 2 342.424 2.526 40 0 EFABLO C[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(OCC2CC2)c(F)c1 ZINC000096468394 473436357 /nfs/dbraw/zinc/43/63/57/473436357.db2.gz PGTREYPTGGGVCQ-LBPRGKRZSA-N 1 2 346.406 2.908 40 0 EFABLO CCc1ccc(S(=O)(=O)N(CCOC)c2cc[nH+]cc2)s1 ZINC000096475161 473438587 /nfs/dbraw/zinc/43/85/87/473438587.db2.gz NFLMEBIYPNXVOX-UHFFFAOYSA-N 1 2 326.443 2.547 40 0 EFABLO CCN(Cc1ccc(C(=O)N(C)C)cc1)c1[nH+]c(C)nc2[nH]ccc21 ZINC000096482724 473441701 /nfs/dbraw/zinc/44/17/01/473441701.db2.gz AJFWOWQHDDNKIA-UHFFFAOYSA-N 1 2 337.427 2.995 40 0 EFABLO COc1ccc([S@@](=O)Cc2cn3c(cccc3C)[nH+]2)cc1OC ZINC000096485184 473443450 /nfs/dbraw/zinc/44/34/50/473443450.db2.gz YSTQNHLIIWHXPH-HSZRJFAPSA-N 1 2 330.409 2.968 40 0 EFABLO Fc1ccc(-c2noc(CSCC[NH+]3CCOCC3)n2)cc1F ZINC000096485720 473444612 /nfs/dbraw/zinc/44/46/12/473444612.db2.gz GDDRPGWTDDJFBR-UHFFFAOYSA-N 1 2 341.383 2.580 40 0 EFABLO Cc1nn(C)cc1C[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000096489866 473446061 /nfs/dbraw/zinc/44/60/61/473446061.db2.gz UPALSZBOIPCYBS-UHFFFAOYSA-N 1 2 348.450 2.840 40 0 EFABLO Cc1[nH+]cc(CN2Cc3ccccc3C[C@H]2C(N)=O)n1-c1ccccc1 ZINC000096489483 473446423 /nfs/dbraw/zinc/44/64/23/473446423.db2.gz NXOASXVIFUEJEI-FQEVSTJZSA-N 1 2 346.434 2.593 40 0 EFABLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000096492382 473447445 /nfs/dbraw/zinc/44/74/45/473447445.db2.gz YZAJFPRYEMFCNW-MRXNPFEDSA-N 1 2 325.380 2.840 40 0 EFABLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CCCc3ccc4ccccc4c3)C[C@@H]21 ZINC000096492962 473448842 /nfs/dbraw/zinc/44/88/42/473448842.db2.gz OOWYWTXTMDJCQK-VQTJNVASSA-N 1 2 338.451 2.704 40 0 EFABLO C[N@H+]1CCO[C@@H]2CN(C(=O)CCCc3ccc4ccccc4c3)C[C@@H]21 ZINC000096492962 473448847 /nfs/dbraw/zinc/44/88/47/473448847.db2.gz OOWYWTXTMDJCQK-VQTJNVASSA-N 1 2 338.451 2.704 40 0 EFABLO Cc1cc(C(=O)OCc2c[nH+]cn2C)nn1-c1ccccc1Cl ZINC000096494220 473450850 /nfs/dbraw/zinc/45/08/50/473450850.db2.gz JHHMJDKJSLZGLF-UHFFFAOYSA-N 1 2 330.775 2.925 40 0 EFABLO Cc1ccc(NC(=O)c2nnc(C[N@H+](C)C[C@H]3CCOC3)s2)cc1 ZINC000096500206 473451456 /nfs/dbraw/zinc/45/14/56/473451456.db2.gz KKRUKMCISBQFNI-CYBMUJFWSA-N 1 2 346.456 2.567 40 0 EFABLO Cc1ccc(NC(=O)c2nnc(C[N@@H+](C)C[C@H]3CCOC3)s2)cc1 ZINC000096500206 473451466 /nfs/dbraw/zinc/45/14/66/473451466.db2.gz KKRUKMCISBQFNI-CYBMUJFWSA-N 1 2 346.456 2.567 40 0 EFABLO CO[C@@H](C(=O)Nc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000096500431 473452728 /nfs/dbraw/zinc/45/27/28/473452728.db2.gz JXTLSQPSJPXWBY-LJQANCHMSA-N 1 2 340.423 2.845 40 0 EFABLO Cc1occc1CN(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000178467205 473518359 /nfs/dbraw/zinc/51/83/59/473518359.db2.gz DVJRJNORCUMTNE-UHFFFAOYSA-N 1 2 344.415 2.792 40 0 EFABLO CN(C)c1cc(CSCc2cc(=O)n3ccsc3n2)cc[nH+]1 ZINC000127337956 473601237 /nfs/dbraw/zinc/60/12/37/473601237.db2.gz DSEQLSLDIYWSEF-UHFFFAOYSA-N 1 2 332.454 2.650 40 0 EFABLO Cc1ccc(CN2CC[C@H](NC(=O)Nc3cc[nH+]c(C)c3)C2=O)cc1 ZINC000192385390 473675930 /nfs/dbraw/zinc/67/59/30/473675930.db2.gz RDWFUWYGBCTFEO-KRWDZBQOSA-N 1 2 338.411 2.621 40 0 EFABLO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000263521606 473766732 /nfs/dbraw/zinc/76/67/32/473766732.db2.gz RFMOODYSVVSCDP-AWEZNQCLSA-N 1 2 328.815 2.850 40 0 EFABLO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000263521606 473766738 /nfs/dbraw/zinc/76/67/38/473766738.db2.gz RFMOODYSVVSCDP-AWEZNQCLSA-N 1 2 328.815 2.850 40 0 EFABLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)CC1 ZINC000263521606 473766749 /nfs/dbraw/zinc/76/67/49/473766749.db2.gz RFMOODYSVVSCDP-AWEZNQCLSA-N 1 2 328.815 2.850 40 0 EFABLO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC000263521606 473766758 /nfs/dbraw/zinc/76/67/58/473766758.db2.gz RFMOODYSVVSCDP-AWEZNQCLSA-N 1 2 328.815 2.850 40 0 EFABLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000269398552 473798669 /nfs/dbraw/zinc/79/86/69/473798669.db2.gz CODUEPKBRMNTPQ-NZSAHSFTSA-N 1 2 336.439 2.747 40 0 EFABLO CC[C@@]1(C)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000187916772 473942124 /nfs/dbraw/zinc/94/21/24/473942124.db2.gz BPHNDNKZWQOQHZ-SFHVURJKSA-N 1 2 328.416 2.583 40 0 EFABLO COc1cc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)ccc1O ZINC000194994481 473987687 /nfs/dbraw/zinc/98/76/87/473987687.db2.gz QZRWLYJSHQZQMI-ZDUSSCGKSA-N 1 2 333.457 2.736 40 0 EFABLO COc1cc(C[NH+]2CCN([C@@H](C)c3ccccn3)CC2)ccc1O ZINC000194993775 473988069 /nfs/dbraw/zinc/98/80/69/473988069.db2.gz AVZXEBBDESYSDR-HNNXBMFYSA-N 1 2 327.428 2.675 40 0 EFABLO c1c[nH]c([C@H]([NH2+]C[C@H]2COC3(CCCCCC3)O2)c2cccnc2)n1 ZINC000195102937 474007117 /nfs/dbraw/zinc/00/71/17/474007117.db2.gz HVURKGCOXYFEQW-DLBZAZTESA-N 1 2 342.443 2.950 40 0 EFABLO C[C@@H]1COCC[N@@H+]1CCSc1nncn1-c1cccc(Cl)c1 ZINC000188252464 474035037 /nfs/dbraw/zinc/03/50/37/474035037.db2.gz HFEMKYNNNFDBFH-GFCCVEGCSA-N 1 2 338.864 2.734 40 0 EFABLO C[C@@H]1COCC[N@H+]1CCSc1nncn1-c1cccc(Cl)c1 ZINC000188252464 474035044 /nfs/dbraw/zinc/03/50/44/474035044.db2.gz HFEMKYNNNFDBFH-GFCCVEGCSA-N 1 2 338.864 2.734 40 0 EFABLO C[C@H]1CN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000195529380 474088624 /nfs/dbraw/zinc/08/86/24/474088624.db2.gz GOEYPZCIMMXAFT-JYJNAYRXSA-N 1 2 347.459 2.548 40 0 EFABLO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cc1O ZINC000195550147 474094160 /nfs/dbraw/zinc/09/41/60/474094160.db2.gz JSRQNQFMIKWBCG-UHFFFAOYSA-N 1 2 344.386 2.740 40 0 EFABLO CCc1nc(C(=O)N2CC[NH+](CCSc3ccccc3)CC2)co1 ZINC000195567230 474097877 /nfs/dbraw/zinc/09/78/77/474097877.db2.gz MEPOLOLOHAGYJH-UHFFFAOYSA-N 1 2 345.468 2.787 40 0 EFABLO C[N@H+](Cc1nc(C(C)(C)NC(=O)c2cccc(Cl)c2)no1)C1CC1 ZINC000195574669 474098488 /nfs/dbraw/zinc/09/84/88/474098488.db2.gz KNQMZMQSLANOOQ-UHFFFAOYSA-N 1 2 348.834 2.982 40 0 EFABLO C[N@@H+](Cc1nc(C(C)(C)NC(=O)c2cccc(Cl)c2)no1)C1CC1 ZINC000195574669 474098497 /nfs/dbraw/zinc/09/84/97/474098497.db2.gz KNQMZMQSLANOOQ-UHFFFAOYSA-N 1 2 348.834 2.982 40 0 EFABLO COC(=O)C1CCN(C(=O)C2CC[NH+](c3ccc(C)cc3)CC2)CC1 ZINC000219862361 474148717 /nfs/dbraw/zinc/14/87/17/474148717.db2.gz MLVXWFXQFUPWSF-UHFFFAOYSA-N 1 2 344.455 2.623 40 0 EFABLO Fc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2COCC1CCOCC1 ZINC000247496549 474165331 /nfs/dbraw/zinc/16/53/31/474165331.db2.gz DDTKEGBAQJOGBX-GOSISDBHSA-N 1 2 349.446 2.860 40 0 EFABLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247539127 474175190 /nfs/dbraw/zinc/17/51/90/474175190.db2.gz JXAMMBLCQASEFJ-INMHGKMJSA-N 1 2 337.431 2.503 40 0 EFABLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247539127 474175195 /nfs/dbraw/zinc/17/51/95/474175195.db2.gz JXAMMBLCQASEFJ-INMHGKMJSA-N 1 2 337.431 2.503 40 0 EFABLO C[C@H](c1nnnn1-c1ccccc1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247539127 474175198 /nfs/dbraw/zinc/17/51/98/474175198.db2.gz JXAMMBLCQASEFJ-INMHGKMJSA-N 1 2 337.431 2.503 40 0 EFABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)Nc1cccc(F)c1 ZINC000224142706 474194935 /nfs/dbraw/zinc/19/49/35/474194935.db2.gz PZQVLHWRNQTZJB-UHFFFAOYSA-N 1 2 344.394 2.926 40 0 EFABLO CCOc1ccccc1NC(=O)Nc1c[nH+]c(N(C)C)nc1N(C)C ZINC000224141229 474194995 /nfs/dbraw/zinc/19/49/95/474194995.db2.gz TYJKUJLBUWNHNT-UHFFFAOYSA-N 1 2 344.419 2.651 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOc2cccnc2)n1 ZINC000247893881 474222650 /nfs/dbraw/zinc/22/26/50/474222650.db2.gz WMEYTSDDLMOMFR-KRWDZBQOSA-N 1 2 339.439 2.845 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2ccccn2)CCO3)n1 ZINC000247901735 474224581 /nfs/dbraw/zinc/22/45/81/474224581.db2.gz ZJSSLKIHIWRIDU-KRWDZBQOSA-N 1 2 325.412 2.597 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2COc1cccnc1 ZINC000248031511 474248852 /nfs/dbraw/zinc/24/88/52/474248852.db2.gz MBMGGQSOUNLQNV-AWEZNQCLSA-N 1 2 331.441 2.516 40 0 EFABLO Cc1ccc(CN2Cc3c[nH+]cn3[C@H](COCc3ccncc3)C2)o1 ZINC000248130645 474265965 /nfs/dbraw/zinc/26/59/65/474265965.db2.gz YJQSZKOPLSDXGV-SFHVURJKSA-N 1 2 338.411 2.953 40 0 EFABLO COC[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc(C)o1 ZINC000277750172 474595477 /nfs/dbraw/zinc/59/54/77/474595477.db2.gz JUCRKHFCLNDYGR-CYBMUJFWSA-N 1 2 334.445 2.731 40 0 EFABLO COC[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc(C)o1 ZINC000277750172 474595482 /nfs/dbraw/zinc/59/54/82/474595482.db2.gz JUCRKHFCLNDYGR-CYBMUJFWSA-N 1 2 334.445 2.731 40 0 EFABLO O[C@]1(CNc2cc[nH+]c3c(Br)ccc(F)c23)CCOC1 ZINC000252487068 474673452 /nfs/dbraw/zinc/67/34/52/474673452.db2.gz HRSHJOOLJJWYRX-AWEZNQCLSA-N 1 2 341.180 2.700 40 0 EFABLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000252495796 474678440 /nfs/dbraw/zinc/67/84/40/474678440.db2.gz PAKVBNLUEGJNRO-BAGYTPMASA-N 1 2 343.430 2.928 40 0 EFABLO Cn1c[nH+]cc1CCC(=O)NC1(c2ccccc2Br)CC1 ZINC000252495026 474678920 /nfs/dbraw/zinc/67/89/20/474678920.db2.gz OLAQNEJXDXBLAX-UHFFFAOYSA-N 1 2 348.244 2.921 40 0 EFABLO c1nc(N2CCC(OC[C@@H]3CCCCO3)CC2)cc(N2CCCC2)[nH+]1 ZINC000253433404 474757655 /nfs/dbraw/zinc/75/76/55/474757655.db2.gz WLSFTMOZXMFUOM-KRWDZBQOSA-N 1 2 346.475 2.631 40 0 EFABLO c1nc(N2CCCC2)cc(N2CCC(OC[C@@H]3CCCCO3)CC2)[nH+]1 ZINC000253433404 474757664 /nfs/dbraw/zinc/75/76/64/474757664.db2.gz WLSFTMOZXMFUOM-KRWDZBQOSA-N 1 2 346.475 2.631 40 0 EFABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](Oc1nccc(C)n1)CCO2 ZINC000253477456 474761412 /nfs/dbraw/zinc/76/14/12/474761412.db2.gz FXGSBZMROFIGNV-HNNXBMFYSA-N 1 2 345.468 2.967 40 0 EFABLO C[C@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CC[N@H+]1CC1CCCC1 ZINC000306125421 474807579 /nfs/dbraw/zinc/80/75/79/474807579.db2.gz CQDQMGJVMFNKCK-LBPRGKRZSA-N 1 2 338.402 2.541 40 0 EFABLO C[C@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CC[N@@H+]1CC1CCCC1 ZINC000306125421 474807587 /nfs/dbraw/zinc/80/75/87/474807587.db2.gz CQDQMGJVMFNKCK-LBPRGKRZSA-N 1 2 338.402 2.541 40 0 EFABLO Cc1ccccc1C(=O)N1C[C@H]2OC[C@@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306132543 474809486 /nfs/dbraw/zinc/80/94/86/474809486.db2.gz LLRICIRCWFZCAX-KBAYOESNSA-N 1 2 337.423 2.589 40 0 EFABLO Cc1csc(CN2Cc3c[nH+]cn3[C@H](COc3ccccn3)C2)n1 ZINC000306130199 474810032 /nfs/dbraw/zinc/81/00/32/474810032.db2.gz IZAVTURGKGXLKS-HNNXBMFYSA-N 1 2 341.440 2.679 40 0 EFABLO Cc1ccccc1C(=O)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306132542 474810596 /nfs/dbraw/zinc/81/05/96/474810596.db2.gz LLRICIRCWFZCAX-CGTJXYLNSA-N 1 2 337.423 2.589 40 0 EFABLO Cc1nc([C@H]2CCCN2c2cc(N3CCC[C@H]3CO)[nH+]cn2)cs1 ZINC000293238948 474884051 /nfs/dbraw/zinc/88/40/51/474884051.db2.gz WDCZCJCOOPBCSM-DZGCQCFKSA-N 1 2 345.472 2.544 40 0 EFABLO Cc1nc([C@H]2CCCN2c2cc(N3CCC[C@H]3CO)nc[nH+]2)cs1 ZINC000293238948 474884058 /nfs/dbraw/zinc/88/40/58/474884058.db2.gz WDCZCJCOOPBCSM-DZGCQCFKSA-N 1 2 345.472 2.544 40 0 EFABLO CO[C@H]1CC[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000257211383 474925824 /nfs/dbraw/zinc/92/58/24/474925824.db2.gz BYQPLILRESPGQL-BRWVUGGUSA-N 1 2 327.428 2.831 40 0 EFABLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(NC)n3)C2)c1C ZINC000257287020 474932930 /nfs/dbraw/zinc/93/29/30/474932930.db2.gz POCVMUILUILXRT-QGZVFWFLSA-N 1 2 329.448 2.530 40 0 EFABLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3cccc(NC)n3)C2)c1C ZINC000257287020 474932939 /nfs/dbraw/zinc/93/29/39/474932939.db2.gz POCVMUILUILXRT-QGZVFWFLSA-N 1 2 329.448 2.530 40 0 EFABLO CN(C)c1cc([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)ccn1 ZINC000257286696 474933350 /nfs/dbraw/zinc/93/33/50/474933350.db2.gz PMPQDQZOUWJMGL-KRWDZBQOSA-N 1 2 341.459 2.531 40 0 EFABLO Cc1cc(CC2CCN(C(=O)CCCn3cc[nH+]c3)CC2)ccn1 ZINC000257288920 474933812 /nfs/dbraw/zinc/93/38/12/474933812.db2.gz PWFXVFJIOHRIFI-UHFFFAOYSA-N 1 2 326.444 2.848 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2c(F)cccc2Cl)[nH+]1 ZINC000257293093 474936443 /nfs/dbraw/zinc/93/64/43/474936443.db2.gz QOBQOFBRUSOQHI-AWEZNQCLSA-N 1 2 337.782 2.653 40 0 EFABLO Cc1cc(CC2CCN(C(=O)CCc3ccnn3C)CC2)cc[nH+]1 ZINC000257294605 474936844 /nfs/dbraw/zinc/93/68/44/474936844.db2.gz QUWCTDUHXSLDNW-UHFFFAOYSA-N 1 2 326.444 2.537 40 0 EFABLO Cc1nc(N2CCC(c3ccc4sc(N)nc4n3)CC2)cc[nH+]1 ZINC000257293566 474937259 /nfs/dbraw/zinc/93/72/59/474937259.db2.gz QQCZBHCKIXNURU-UHFFFAOYSA-N 1 2 326.429 2.756 40 0 EFABLO CCCn1ccnc1C[N@@H+]1CCC[C@@H]1c1cccc(CNC(C)=O)n1 ZINC000257297138 474937930 /nfs/dbraw/zinc/93/79/30/474937930.db2.gz RGBJIUKIACHMCH-GOSISDBHSA-N 1 2 341.459 2.661 40 0 EFABLO CCCn1ccnc1C[N@H+]1CCC[C@@H]1c1cccc(CNC(C)=O)n1 ZINC000257297138 474937939 /nfs/dbraw/zinc/93/79/39/474937939.db2.gz RGBJIUKIACHMCH-GOSISDBHSA-N 1 2 341.459 2.661 40 0 EFABLO FC(F)(F)c1ccc(OCCc2cc([C@@H]3C[NH2+]CCO3)n[nH]2)cc1 ZINC000257300137 474939909 /nfs/dbraw/zinc/93/99/09/474939909.db2.gz RTAXIDKCUHQRML-HNNXBMFYSA-N 1 2 341.333 2.711 40 0 EFABLO CNc1cc([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc[nH+]1 ZINC000257302275 474942538 /nfs/dbraw/zinc/94/25/38/474942538.db2.gz SCGDWPPUFCPAPD-ZDUSSCGKSA-N 1 2 337.470 2.753 40 0 EFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)cc[nH+]1 ZINC000257313909 474948649 /nfs/dbraw/zinc/94/86/49/474948649.db2.gz UUQMAKJQSCSMNY-INIZCTEOSA-N 1 2 337.427 2.792 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccc(F)c(Cl)c2)[nH+]1 ZINC000257315897 474949423 /nfs/dbraw/zinc/94/94/23/474949423.db2.gz VDEMWGHQJNDHIK-AWEZNQCLSA-N 1 2 337.782 2.653 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)[nH+]1 ZINC000257317406 474949470 /nfs/dbraw/zinc/94/94/70/474949470.db2.gz VJQCAQQBXSJYLK-LLVKDONJSA-N 1 2 341.383 2.565 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)c2cccc3c2OCCO3)cc[nH+]1 ZINC000257320817 474950870 /nfs/dbraw/zinc/95/08/70/474950870.db2.gz VYTUIBIPDOXBNW-OAHLLOKOSA-N 1 2 339.395 2.872 40 0 EFABLO CCOCC[N@@H+]1CCN(C(C)=O)C[C@H]1c1ccc(OC(C)C)cc1 ZINC000257318416 474952178 /nfs/dbraw/zinc/95/21/78/474952178.db2.gz VNVRFMGCRCMYTI-IBGZPJMESA-N 1 2 334.460 2.716 40 0 EFABLO CCOCC[N@H+]1CCN(C(C)=O)C[C@H]1c1ccc(OC(C)C)cc1 ZINC000257318416 474952185 /nfs/dbraw/zinc/95/21/85/474952185.db2.gz VNVRFMGCRCMYTI-IBGZPJMESA-N 1 2 334.460 2.716 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)[nH+]1 ZINC000257321861 474952902 /nfs/dbraw/zinc/95/29/02/474952902.db2.gz WDPGAZWJWJVGDU-ZDUSSCGKSA-N 1 2 327.356 2.522 40 0 EFABLO CCOc1ncccc1C(=O)N1CCC[C@@H]1c1cc[nH+]c(NC)c1 ZINC000257326673 474955735 /nfs/dbraw/zinc/95/57/35/474955735.db2.gz WYDWVEPCTAACFU-OAHLLOKOSA-N 1 2 326.400 2.894 40 0 EFABLO Cc1cc(C)n(CCCC(=O)N2CCC[C@H]2c2[nH+]c(C)cn2C)n1 ZINC000257329193 474957327 /nfs/dbraw/zinc/95/73/27/474957327.db2.gz XIWRBDVSVAPYDP-INIZCTEOSA-N 1 2 329.448 2.686 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)[nH+]1 ZINC000257329653 474957734 /nfs/dbraw/zinc/95/77/34/474957734.db2.gz XKVSZIWLEYIYNT-MRXNPFEDSA-N 1 2 340.427 2.685 40 0 EFABLO Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000257335293 474960886 /nfs/dbraw/zinc/96/08/86/474960886.db2.gz YJNWQQAHKUDWDA-INIZCTEOSA-N 1 2 343.475 2.909 40 0 EFABLO CCCn1nc(C)c(C(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)c1C ZINC000257337312 474961743 /nfs/dbraw/zinc/96/17/43/474961743.db2.gz YSHMDJRIBUYYII-HNNXBMFYSA-N 1 2 329.448 2.582 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccnc(C)n1 ZINC000257337636 474962416 /nfs/dbraw/zinc/96/24/16/474962416.db2.gz YTRLQQIBLQEVSZ-QGZVFWFLSA-N 1 2 335.411 2.807 40 0 EFABLO CC(=O)N1CCN(Cc2[nH]cc[nH+]2)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257343562 474964690 /nfs/dbraw/zinc/96/46/90/474964690.db2.gz ZTMIZJUZJYHVDS-GOSISDBHSA-N 1 2 342.443 2.602 40 0 EFABLO CCCn1nc(C)c(C(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)c1C ZINC000257343989 474964799 /nfs/dbraw/zinc/96/47/99/474964799.db2.gz ZVHCLDVGMPWDOL-INIZCTEOSA-N 1 2 343.475 2.972 40 0 EFABLO Cc1c[nH]c(-c2cnc([C@H]3CCC[N@@H+]3Cc3cscn3)cn2)n1 ZINC000257343756 474964931 /nfs/dbraw/zinc/96/49/31/474964931.db2.gz ZUGXDCLMPUAERK-OAHLLOKOSA-N 1 2 326.429 2.969 40 0 EFABLO Cc1c[nH]c(-c2cnc([C@H]3CCC[N@H+]3Cc3cscn3)cn2)n1 ZINC000257343756 474964937 /nfs/dbraw/zinc/96/49/37/474964937.db2.gz ZUGXDCLMPUAERK-OAHLLOKOSA-N 1 2 326.429 2.969 40 0 EFABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1C ZINC000261364239 474973421 /nfs/dbraw/zinc/97/34/21/474973421.db2.gz KDOWSYFCCAQXQC-SNVBAGLBSA-O 1 2 331.421 2.524 40 0 EFABLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1 ZINC000332917676 475782241 /nfs/dbraw/zinc/78/22/41/475782241.db2.gz YUEJAMIHGZZWKY-JKSUJKDBSA-N 1 2 348.809 2.753 40 0 EFABLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cnn1 ZINC000332917676 475782250 /nfs/dbraw/zinc/78/22/50/475782250.db2.gz YUEJAMIHGZZWKY-JKSUJKDBSA-N 1 2 348.809 2.753 40 0 EFABLO C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302875912 476210808 /nfs/dbraw/zinc/21/08/08/476210808.db2.gz FFORHSZGJXOABG-QWHCGFSZSA-N 1 2 334.445 2.547 40 0 EFABLO C[C@@H](C[C@@H](O)c1ccco1)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302875912 476210817 /nfs/dbraw/zinc/21/08/17/476210817.db2.gz FFORHSZGJXOABG-QWHCGFSZSA-N 1 2 334.445 2.547 40 0 EFABLO COc1cccc(F)c1[C@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302913969 476212869 /nfs/dbraw/zinc/21/28/69/476212869.db2.gz UWLGTROWADZURP-LBPRGKRZSA-N 1 2 332.379 2.634 40 0 EFABLO COc1cccc(F)c1[C@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302913969 476212876 /nfs/dbraw/zinc/21/28/76/476212876.db2.gz UWLGTROWADZURP-LBPRGKRZSA-N 1 2 332.379 2.634 40 0 EFABLO O=C(CSC1CCCC1)N1CC([N@@H+]2CCc3sccc3C2)C1 ZINC000390827787 476800457 /nfs/dbraw/zinc/80/04/57/476800457.db2.gz KEKSFXCYYKVBRM-UHFFFAOYSA-N 1 2 336.526 2.993 40 0 EFABLO O=C(CSC1CCCC1)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000390827787 476800464 /nfs/dbraw/zinc/80/04/64/476800464.db2.gz KEKSFXCYYKVBRM-UHFFFAOYSA-N 1 2 336.526 2.993 40 0 EFABLO O=S(=O)(Cc1ccccc1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000390833039 476803146 /nfs/dbraw/zinc/80/31/46/476803146.db2.gz BBDBLLOGASGTCG-UHFFFAOYSA-N 1 2 347.484 2.905 40 0 EFABLO CC[C@H](C)n1ncc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000390834350 476804494 /nfs/dbraw/zinc/80/44/94/476804494.db2.gz WWQROJBTPBNYMP-AWEZNQCLSA-N 1 2 342.447 2.912 40 0 EFABLO C[C@@H](N1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1)C(F)(F)F ZINC000390834348 476804574 /nfs/dbraw/zinc/80/45/74/476804574.db2.gz WWKMXHUIJVOENE-ZIAGYGMSSA-N 1 2 349.441 2.592 40 0 EFABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cc2ccccc2o1 ZINC000585094613 479280284 /nfs/dbraw/zinc/28/02/84/479280284.db2.gz FPEDLEMZKXUGPT-AWEZNQCLSA-N 1 2 339.395 2.770 40 0 EFABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1oc2ccccc2c1C ZINC000585094846 479280362 /nfs/dbraw/zinc/28/03/62/479280362.db2.gz PXQCDJWOUDKIBV-ZDUSSCGKSA-N 1 2 339.395 2.688 40 0 EFABLO CCOCCc1c[nH+]c2n1CCN(Cc1ccc(CO)cc1)[C@@H]2C ZINC000585097533 479280797 /nfs/dbraw/zinc/28/07/97/479280797.db2.gz LEBAGIDMXFOENU-OAHLLOKOSA-N 1 2 329.444 2.531 40 0 EFABLO C[C@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1Cc1cccnc1 ZINC000585097211 479280985 /nfs/dbraw/zinc/28/09/85/479280985.db2.gz GNZKTQOMPOPQKQ-INIZCTEOSA-N 1 2 349.438 2.871 40 0 EFABLO C[C@H]1c2ncc(CCOc3ccccn3)n2CC[N@H+]1Cc1cccnc1 ZINC000585097211 479280995 /nfs/dbraw/zinc/28/09/95/479280995.db2.gz GNZKTQOMPOPQKQ-INIZCTEOSA-N 1 2 349.438 2.871 40 0 EFABLO C[C@H]1c2ncc(CCOc3ccccn3)n2CC[N@@H+]1Cc1cccnc1 ZINC000585097211 479280998 /nfs/dbraw/zinc/28/09/98/479280998.db2.gz GNZKTQOMPOPQKQ-INIZCTEOSA-N 1 2 349.438 2.871 40 0 EFABLO O=C(NC[C@@H]1CCC2(C[NH+](Cc3cccs3)C2)OC1)N1CCCC1 ZINC000585104011 479284668 /nfs/dbraw/zinc/28/46/68/479284668.db2.gz FOPLBJRXQXNZTJ-HNNXBMFYSA-N 1 2 349.500 2.535 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000585105259 479286268 /nfs/dbraw/zinc/28/62/68/479286268.db2.gz RQAGEZLLGAULGF-CQSZACIVSA-N 1 2 331.441 2.659 40 0 EFABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)[C@H]1C[C@H]1C)CC2 ZINC000585111196 479287193 /nfs/dbraw/zinc/28/71/93/479287193.db2.gz ISHHBEYVDBUAOP-PBHICJAKSA-N 1 2 339.439 2.737 40 0 EFABLO CC(C)C(=O)NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112902 479289092 /nfs/dbraw/zinc/28/90/92/479289092.db2.gz XZKUASROTLRJLQ-CQSZACIVSA-N 1 2 332.473 2.664 40 0 EFABLO CC(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112902 479289097 /nfs/dbraw/zinc/28/90/97/479289097.db2.gz XZKUASROTLRJLQ-CQSZACIVSA-N 1 2 332.473 2.664 40 0 EFABLO O=C(CC1CC1)NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112005 479289208 /nfs/dbraw/zinc/28/92/08/479289208.db2.gz GXKNQDVPVWNQJA-HNNXBMFYSA-N 1 2 344.484 2.808 40 0 EFABLO O=C(CC1CC1)NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112005 479289219 /nfs/dbraw/zinc/28/92/19/479289219.db2.gz GXKNQDVPVWNQJA-HNNXBMFYSA-N 1 2 344.484 2.808 40 0 EFABLO CC(C)C(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112915 479289625 /nfs/dbraw/zinc/28/96/25/479289625.db2.gz YJRCDIGSBMYLNQ-QGZVFWFLSA-N 1 2 326.444 2.602 40 0 EFABLO CC(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112915 479289627 /nfs/dbraw/zinc/28/96/27/479289627.db2.gz YJRCDIGSBMYLNQ-QGZVFWFLSA-N 1 2 326.444 2.602 40 0 EFABLO CO[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000585140884 479298573 /nfs/dbraw/zinc/29/85/73/479298573.db2.gz KYTIHGYONPBPNS-CQSZACIVSA-N 1 2 333.215 2.627 40 0 EFABLO CO[C@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000585140884 479298577 /nfs/dbraw/zinc/29/85/77/479298577.db2.gz KYTIHGYONPBPNS-CQSZACIVSA-N 1 2 333.215 2.627 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2coc3cc(C)ccc23)[nH+]1 ZINC000585181447 479301440 /nfs/dbraw/zinc/30/14/40/479301440.db2.gz CCLGQZXWICKCDF-MRXNPFEDSA-N 1 2 339.395 2.915 40 0 EFABLO COc1ncccc1C(=O)N1CC[C@@H](n2c(C)[nH+]c3ccccc32)C1 ZINC000575414710 479442150 /nfs/dbraw/zinc/44/21/50/479442150.db2.gz WHRXBBKQUQZGCM-CQSZACIVSA-N 1 2 336.395 2.836 40 0 EFABLO CSc1ncccc1C(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575604657 479449756 /nfs/dbraw/zinc/44/97/56/479449756.db2.gz BWJVOYOALYFBAH-AWEZNQCLSA-N 1 2 329.425 2.882 40 0 EFABLO COc1ccccc1OCC(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575612275 479454350 /nfs/dbraw/zinc/45/43/50/479454350.db2.gz KWSIPLMHRNRYGP-INIZCTEOSA-N 1 2 342.395 2.539 40 0 EFABLO O=C(COc1ccccc1F)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575613180 479454417 /nfs/dbraw/zinc/45/44/17/479454417.db2.gz PJZAOPUGAAHYKM-OAHLLOKOSA-N 1 2 330.359 2.670 40 0 EFABLO O=C(Nc1ccc(O)c2ccccc12)[C@@H]1OCC[C@@H]1Cn1cc[nH+]c1 ZINC000621345606 480462887 /nfs/dbraw/zinc/46/28/87/480462887.db2.gz QULPVKBOKMOEMZ-FZKQIMNGSA-N 1 2 337.379 2.786 40 0 EFABLO Fc1cccnc1OC1CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000639613911 481363401 /nfs/dbraw/zinc/36/34/01/481363401.db2.gz ASZRKPJQJVIOJH-UHFFFAOYSA-N 1 2 332.379 2.600 40 0 EFABLO Cc1[nH+]c2ccccc2n1CCCOC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000076885876 534684994 /nfs/dbraw/zinc/68/49/94/534684994.db2.gz SQQPMTQMIRBFNH-CQSZACIVSA-N 1 2 338.411 2.806 40 0 EFABLO Nc1cc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)ccn1 ZINC000191452455 534735109 /nfs/dbraw/zinc/73/51/09/534735109.db2.gz JBEIBHZYPLAGSU-UHFFFAOYSA-N 1 2 338.242 2.688 40 0 EFABLO CC(=O)N1CCN(Cc2[nH+]ccn2C(C)C)[C@@H](c2ccccc2)C1 ZINC000257258209 534796269 /nfs/dbraw/zinc/79/62/69/534796269.db2.gz KSUZJTOMEMUGKP-GOSISDBHSA-N 1 2 326.444 2.869 40 0 EFABLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3occc3C)c2)CC1 ZINC000187153846 526632044 /nfs/dbraw/zinc/63/20/44/526632044.db2.gz LFGWXRIFEPGIOQ-UHFFFAOYSA-N 1 2 341.411 2.504 40 0 EFABLO COc1ccc([C@H]2CN(Cc3c(C)nn(C)c3C)CC[N@@H+]2C)cc1 ZINC000257202660 536944343 /nfs/dbraw/zinc/94/43/43/536944343.db2.gz AMTXHHMWMFWNIE-LJQANCHMSA-N 1 2 328.460 2.534 40 0 EFABLO COc1ccc([C@H]2CN(Cc3c(C)nn(C)c3C)CC[N@H+]2C)cc1 ZINC000257202660 536944347 /nfs/dbraw/zinc/94/43/47/536944347.db2.gz AMTXHHMWMFWNIE-LJQANCHMSA-N 1 2 328.460 2.534 40 0 EFABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)CCc1ccccc1 ZINC000206732991 564014576 /nfs/dbraw/zinc/01/45/76/564014576.db2.gz GWQRQFCVJBFNFB-UHFFFAOYSA-N 1 2 339.443 2.714 40 0 EFABLO CC(C)C[C@@H]([NH3+])c1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000008235577 1095204096 /nfs/dbraw/zinc/20/40/96/1095204096.db2.gz QLEOYNJOEAOCDW-GFCCVEGCSA-N 1 2 343.836 2.743 40 0 EFABLO O=c1cc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)nc2cc[nH]n21 ZINC000102706309 219223534 /nfs/dbraw/zinc/22/35/34/219223534.db2.gz SKLIPEHMWKJQBZ-AWEZNQCLSA-N 1 2 340.452 2.637 40 0 EFABLO O=c1cc(C[N@H+]2CC[C@H](CSc3ccccc3)C2)nc2cc[nH]n21 ZINC000102706309 219223537 /nfs/dbraw/zinc/22/35/37/219223537.db2.gz SKLIPEHMWKJQBZ-AWEZNQCLSA-N 1 2 340.452 2.637 40 0 EFABLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3csnc3C)CC2)c1 ZINC000181941815 234388098 /nfs/dbraw/zinc/38/80/98/234388098.db2.gz IWWMXIBPOZSKSC-AWEZNQCLSA-N 1 2 345.468 2.979 40 0 EFABLO Fc1ccc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc1Br ZINC000185264422 235628052 /nfs/dbraw/zinc/62/80/52/235628052.db2.gz ZOGZMJTXPJZYGZ-CYBMUJFWSA-N 1 2 340.196 2.885 40 0 EFABLO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)cn1 ZINC000035426149 213026854 /nfs/dbraw/zinc/02/68/54/213026854.db2.gz MMEKCVHATIGVPR-HNNXBMFYSA-N 1 2 336.399 2.905 40 0 biogenic,in-vitro EFABLO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)cn1 ZINC000035426149 213026857 /nfs/dbraw/zinc/02/68/57/213026857.db2.gz MMEKCVHATIGVPR-HNNXBMFYSA-N 1 2 336.399 2.905 40 0 biogenic,in-vitro EFABLO Cc1noc(C)c1C(=O)N1CC[N@@H+](Cc2ccco2)C[C@@H]1C(C)C ZINC000072324107 216151029 /nfs/dbraw/zinc/15/10/29/216151029.db2.gz AAGMWNUVGQCQIT-MRXNPFEDSA-N 1 2 331.416 2.867 40 0 EFABLO Cc1noc(C)c1C(=O)N1CC[N@H+](Cc2ccco2)C[C@@H]1C(C)C ZINC000072324107 216151031 /nfs/dbraw/zinc/15/10/31/216151031.db2.gz AAGMWNUVGQCQIT-MRXNPFEDSA-N 1 2 331.416 2.867 40 0 EFABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)c2ccncc2)n1 ZINC000072378413 216179845 /nfs/dbraw/zinc/17/98/45/216179845.db2.gz XFCPKVYYKUCMFV-INIZCTEOSA-N 1 2 348.410 2.597 40 0 EFABLO O=C(c1ccc(F)cc1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378388 216179910 /nfs/dbraw/zinc/17/99/10/216179910.db2.gz WYYVEURYLQHZFP-INIZCTEOSA-N 1 2 337.358 2.779 40 0 EFABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072378423 216180907 /nfs/dbraw/zinc/18/09/07/216180907.db2.gz FOLAZZGGQBMKQH-MRXNPFEDSA-N 1 2 348.410 2.597 40 0 EFABLO O=C(c1cccnc1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378417 216181008 /nfs/dbraw/zinc/18/10/08/216181008.db2.gz MFYDRUVDCIISDP-MRXNPFEDSA-N 1 2 333.395 2.682 40 0 EFABLO Cc1nc(C(=O)N2CCC[C@H](c3cccc(-n4cc[nH+]c4)n3)C2)co1 ZINC000072378828 216181136 /nfs/dbraw/zinc/18/11/36/216181136.db2.gz SJKOXHTYVOYTSH-AWEZNQCLSA-N 1 2 337.383 2.584 40 0 EFABLO Cc1nc(C(=O)N2CCC[C@@H](c3cccc(-n4cc[nH+]c4)n3)C2)co1 ZINC000072378829 216181172 /nfs/dbraw/zinc/18/11/72/216181172.db2.gz SJKOXHTYVOYTSH-CQSZACIVSA-N 1 2 337.383 2.584 40 0 EFABLO Cc1cc(N2CCC[C@@H]2c2cc(Nc3cnccn3)nc(C)n2)nc[nH+]1 ZINC000072382766 216182372 /nfs/dbraw/zinc/18/23/72/216182372.db2.gz NOVLRXVBDQGKMH-OAHLLOKOSA-N 1 2 348.414 2.759 40 0 EFABLO O=C(NCc1cn2ccccc2[nH+]1)c1ccc(Cn2cccn2)cc1 ZINC000023754652 212394312 /nfs/dbraw/zinc/39/43/12/212394312.db2.gz JJPOFWJUFBODCQ-UHFFFAOYSA-N 1 2 331.379 2.509 40 0 EFABLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000023379115 212373069 /nfs/dbraw/zinc/37/30/69/212373069.db2.gz OCUVDXPKJSUQFR-UHFFFAOYSA-N 1 2 344.480 2.810 40 0 EFABLO Cc1ccc(C)c([C@H](O)CN2CC[NH+](Cc3ncccc3C)CC2)c1 ZINC000022887366 212331654 /nfs/dbraw/zinc/33/16/54/212331654.db2.gz VMIYHELNDTYZIL-OAQYLSRUSA-N 1 2 339.483 2.858 40 0 EFABLO O=C(C[N@@H+]1CCC[C@@H](C(F)(F)F)C1)NCc1cc(F)cc(F)c1 ZINC000193700812 240271609 /nfs/dbraw/zinc/27/16/09/240271609.db2.gz UNLFPOWIZXKGEI-LLVKDONJSA-N 1 2 336.304 2.855 40 0 EFABLO O=C(C[N@H+]1CCC[C@@H](C(F)(F)F)C1)NCc1cc(F)cc(F)c1 ZINC000193700812 240271617 /nfs/dbraw/zinc/27/16/17/240271617.db2.gz UNLFPOWIZXKGEI-LLVKDONJSA-N 1 2 336.304 2.855 40 0 EFABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)ccn1 ZINC000257339399 240312112 /nfs/dbraw/zinc/31/21/12/240312112.db2.gz ZBMYXPOXTXWZSM-QGZVFWFLSA-N 1 2 345.468 2.864 40 0 EFABLO CNc1cc([C@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)ccn1 ZINC000257339399 240312119 /nfs/dbraw/zinc/31/21/19/240312119.db2.gz ZBMYXPOXTXWZSM-QGZVFWFLSA-N 1 2 345.468 2.864 40 0 EFABLO Cc1noc(C)c1CCC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000022190856 212281332 /nfs/dbraw/zinc/28/13/32/212281332.db2.gz PNYYOIKBNUATSX-UHFFFAOYSA-N 1 2 326.400 2.699 40 0 EFABLO CC[N@@H+](Cc1cccc(F)c1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000022185672 212281048 /nfs/dbraw/zinc/28/10/48/212281048.db2.gz KEKZFUINQCIPFT-UHFFFAOYSA-N 1 2 333.407 2.860 40 0 EFABLO CC[N@H+](Cc1cccc(F)c1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000022185672 212281050 /nfs/dbraw/zinc/28/10/50/212281050.db2.gz KEKZFUINQCIPFT-UHFFFAOYSA-N 1 2 333.407 2.860 40 0 EFABLO O=C(OCc1ccccc1)N1CC[NH2+][C@H](c2ccc3c(c2)OCO3)C1 ZINC000022115398 212277985 /nfs/dbraw/zinc/27/79/85/212277985.db2.gz WWUOWUBLSLSSJG-INIZCTEOSA-N 1 2 340.379 2.698 40 0 EFABLO Nc1c(NCc2cc(-c3ccccc3)on2)[nH+]cnc1-n1cccn1 ZINC000195575186 241021997 /nfs/dbraw/zinc/02/19/97/241021997.db2.gz OKMNFTQRLIWJHE-UHFFFAOYSA-N 1 2 333.355 2.512 40 0 EFABLO O=C(c1cc2ccccc2s1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000022025306 212271700 /nfs/dbraw/zinc/27/17/00/212271700.db2.gz OMGDAQCDQHTRFD-OAHLLOKOSA-N 1 2 330.453 2.838 40 0 EFABLO CCOC(=O)c1ccc(C)c(NC(=S)NCCCn2cc[nH+]c2)c1 ZINC000225521514 241913183 /nfs/dbraw/zinc/91/31/83/241913183.db2.gz WHDKRYLGFGOWQW-UHFFFAOYSA-N 1 2 346.456 2.745 40 0 EFABLO O=C(NCCc1[nH]cc[nH+]1)c1cc(Cl)cc(F)c1Br ZINC000225810474 242048695 /nfs/dbraw/zinc/04/86/95/242048695.db2.gz ISDDTKQADYDZJQ-UHFFFAOYSA-N 1 2 346.587 2.937 40 0 EFABLO CC[NH+]1CCN(C(=O)c2snnc2-c2ccc(Cl)cc2)CC1 ZINC000225771709 242028929 /nfs/dbraw/zinc/02/89/29/242028929.db2.gz DWVKLELCYRNJGR-UHFFFAOYSA-N 1 2 336.848 2.636 40 0 EFABLO CSc1cncc(N2CC[NH+](Cc3ccc(Cl)cn3)CC2)n1 ZINC000133078013 223386047 /nfs/dbraw/zinc/38/60/47/223386047.db2.gz KBVBJINMTDMAOB-UHFFFAOYSA-N 1 2 335.864 2.569 40 0 EFABLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CCCc3ccc4ccccc4c3)C[C@H]21 ZINC000230188124 242245411 /nfs/dbraw/zinc/24/54/11/242245411.db2.gz OOWYWTXTMDJCQK-WOJBJXKFSA-N 1 2 338.451 2.704 40 0 EFABLO C[N@H+]1CCO[C@@H]2CN(C(=O)CCCc3ccc4ccccc4c3)C[C@H]21 ZINC000230188124 242245415 /nfs/dbraw/zinc/24/54/15/242245415.db2.gz OOWYWTXTMDJCQK-WOJBJXKFSA-N 1 2 338.451 2.704 40 0 EFABLO CCOc1cccc(S(=O)(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000241795509 243003713 /nfs/dbraw/zinc/00/37/13/243003713.db2.gz RZTXPHGPBDLKFO-RHSMWYFYSA-N 1 2 349.456 2.554 40 0 EFABLO CC(C)c1noc([C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3)C[N@@H+]2C)n1 ZINC000020464308 212134840 /nfs/dbraw/zinc/13/48/40/212134840.db2.gz HSPOWMLPGHPYGP-KBPBESRZSA-N 1 2 347.394 2.899 40 0 biogenic,in-vitro EFABLO CC(C)c1noc([C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3)C[N@H+]2C)n1 ZINC000020464308 212134842 /nfs/dbraw/zinc/13/48/42/212134842.db2.gz HSPOWMLPGHPYGP-KBPBESRZSA-N 1 2 347.394 2.899 40 0 biogenic,in-vitro EFABLO Cc1ccsc1CN1Cc2c[nH+]cn2[C@@H](CNC(=O)CC2CC2)C1 ZINC000253598504 244032694 /nfs/dbraw/zinc/03/26/94/244032694.db2.gz CNJSORRTAGIKPT-INIZCTEOSA-N 1 2 344.484 2.726 40 0 EFABLO Cc1cncc(O[C@@H]2CCOC3(C[NH+](Cc4ccsc4)C3)C2)n1 ZINC000253601931 244034189 /nfs/dbraw/zinc/03/41/89/244034189.db2.gz YHVNKEDEZBFKHK-OAHLLOKOSA-N 1 2 331.441 2.659 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)cc[nH+]1 ZINC000257205272 244130408 /nfs/dbraw/zinc/13/04/08/244130408.db2.gz AYIFGPFURJNOHM-INIZCTEOSA-N 1 2 348.410 2.681 40 0 EFABLO Cc1[nH+]c([C@]2(C)CCCN(C(=O)c3cncnc3)C2)c2sccn12 ZINC000257202432 244123784 /nfs/dbraw/zinc/12/37/84/244123784.db2.gz ALTRCFUSYSXYLV-QGZVFWFLSA-N 1 2 341.440 2.688 40 0 EFABLO CC[N@H+](Cc1ccncc1)Cc1cncc([C@@H]2CCCN2C(C)=O)n1 ZINC000257210873 244150162 /nfs/dbraw/zinc/15/01/62/244150162.db2.gz BWMRUDABULAZAJ-IBGZPJMESA-N 1 2 339.443 2.577 40 0 EFABLO CC[N@@H+](Cc1ccncc1)Cc1cncc([C@@H]2CCCN2C(C)=O)n1 ZINC000257210873 244150170 /nfs/dbraw/zinc/15/01/70/244150170.db2.gz BWMRUDABULAZAJ-IBGZPJMESA-N 1 2 339.443 2.577 40 0 EFABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(OC)c2)cc[nH+]1 ZINC000257214300 244159158 /nfs/dbraw/zinc/15/91/58/244159158.db2.gz CLMSFYDPYCKVGS-INIZCTEOSA-N 1 2 347.440 2.658 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)Cc2csc(C)n2)CC[N@@H+]1C ZINC000257214742 244164978 /nfs/dbraw/zinc/16/49/78/244164978.db2.gz CNGAJWCMTRMRNE-INIZCTEOSA-N 1 2 345.468 2.518 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)Cc2csc(C)n2)CC[N@H+]1C ZINC000257214742 244164981 /nfs/dbraw/zinc/16/49/81/244164981.db2.gz CNGAJWCMTRMRNE-INIZCTEOSA-N 1 2 345.468 2.518 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)cc[nH+]1 ZINC000257216189 244167090 /nfs/dbraw/zinc/16/70/90/244167090.db2.gz CTMWHCOZZOBMDC-HNNXBMFYSA-N 1 2 339.395 2.758 40 0 EFABLO Cc1c[nH]c([C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)n1 ZINC000257221288 244185994 /nfs/dbraw/zinc/18/59/94/244185994.db2.gz DOHVQPDFLFPEJF-KRWDZBQOSA-N 1 2 335.411 2.749 40 0 EFABLO Cc1c[nH]c([C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)n1 ZINC000257221288 244186005 /nfs/dbraw/zinc/18/60/05/244186005.db2.gz DOHVQPDFLFPEJF-KRWDZBQOSA-N 1 2 335.411 2.749 40 0 EFABLO Cn1c[nH+]cc1-c1ccc(CC2CCN(c3ccncn3)CC2)cn1 ZINC000257225371 244198711 /nfs/dbraw/zinc/19/87/11/244198711.db2.gz FFXKVZVDCXRXPG-UHFFFAOYSA-N 1 2 334.427 2.731 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)cc[nH+]1 ZINC000257220547 244180571 /nfs/dbraw/zinc/18/05/71/244180571.db2.gz DLERZKDYEVXTDD-AWEZNQCLSA-N 1 2 343.431 2.926 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)[nH+]1 ZINC000257242217 244247879 /nfs/dbraw/zinc/24/78/79/244247879.db2.gz IBOCCWIWVOJGAO-ZDUSSCGKSA-N 1 2 327.384 2.509 40 0 EFABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@@H+]2Cc2ccc(C)nc2)cc1 ZINC000257245548 244254784 /nfs/dbraw/zinc/25/47/84/244254784.db2.gz IQBNFDOJIRKBNI-FQEVSTJZSA-N 1 2 339.439 2.804 40 0 EFABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@H+]2Cc2ccc(C)nc2)cc1 ZINC000257245548 244254791 /nfs/dbraw/zinc/25/47/91/244254791.db2.gz IQBNFDOJIRKBNI-FQEVSTJZSA-N 1 2 339.439 2.804 40 0 EFABLO Cc1ccc(C[N@@H+]2CCC[C@@]2(C)c2nc(C)cc(C(N)=O)n2)s1 ZINC000257242384 244247433 /nfs/dbraw/zinc/24/74/33/244247433.db2.gz ICFKJIQIMOJQFO-KRWDZBQOSA-N 1 2 330.457 2.765 40 0 EFABLO Cc1ccc(C[N@H+]2CCC[C@@]2(C)c2nc(C)cc(C(N)=O)n2)s1 ZINC000257242384 244247440 /nfs/dbraw/zinc/24/74/40/244247440.db2.gz ICFKJIQIMOJQFO-KRWDZBQOSA-N 1 2 330.457 2.765 40 0 EFABLO CCCn1ccnc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257251093 244267516 /nfs/dbraw/zinc/26/75/16/244267516.db2.gz JPIODIHEGLAQLM-OAHLLOKOSA-N 1 2 340.431 2.769 40 0 EFABLO CCCn1ccnc1C[N@H+]1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257251093 244267517 /nfs/dbraw/zinc/26/75/17/244267517.db2.gz JPIODIHEGLAQLM-OAHLLOKOSA-N 1 2 340.431 2.769 40 0 EFABLO CCCn1cc[nH+]c1CN1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257251093 244267521 /nfs/dbraw/zinc/26/75/21/244267521.db2.gz JPIODIHEGLAQLM-OAHLLOKOSA-N 1 2 340.431 2.769 40 0 EFABLO Cc1ncc(-c2cncc([C@H]3CCCN(c4cccc[nH+]4)C3)n2)n1C ZINC000257251694 244269834 /nfs/dbraw/zinc/26/98/34/244269834.db2.gz JRUSTHBPTAQEKA-HNNXBMFYSA-N 1 2 334.427 2.965 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)c2cc(C(C)C)no2)CC[N@@H+]1C ZINC000257251459 244270029 /nfs/dbraw/zinc/27/00/29/244270029.db2.gz JQVMDIWYLKSLMW-INIZCTEOSA-N 1 2 343.427 2.936 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)c2cc(C(C)C)no2)CC[N@H+]1C ZINC000257251459 244270037 /nfs/dbraw/zinc/27/00/37/244270037.db2.gz JQVMDIWYLKSLMW-INIZCTEOSA-N 1 2 343.427 2.936 40 0 EFABLO Cc1ncc(-c2cncc([C@@H]3CCCN(c4cccc[nH+]4)C3)n2)n1C ZINC000257251695 244270510 /nfs/dbraw/zinc/27/05/10/244270510.db2.gz JRUSTHBPTAQEKA-OAHLLOKOSA-N 1 2 334.427 2.965 40 0 EFABLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2csc(C)n2)nc1 ZINC000257252931 244273195 /nfs/dbraw/zinc/27/31/95/244273195.db2.gz JWTCKRXFCSDDLC-QGZVFWFLSA-N 1 2 330.457 2.820 40 0 EFABLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2csc(C)n2)nc1 ZINC000257252931 244273201 /nfs/dbraw/zinc/27/32/01/244273201.db2.gz JWTCKRXFCSDDLC-QGZVFWFLSA-N 1 2 330.457 2.820 40 0 EFABLO Cc1ccc(C(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)c(=O)[nH]1 ZINC000257256317 244280611 /nfs/dbraw/zinc/28/06/11/244280611.db2.gz KKYNCVMEAPHCQE-HNNXBMFYSA-N 1 2 326.400 2.534 40 0 EFABLO Cc1cc(C(=O)N2CCc3ccccc3C2)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000257257653 244286236 /nfs/dbraw/zinc/28/62/36/244286236.db2.gz KQOJMMLSFHTFGX-SFHVURJKSA-N 1 2 336.439 2.750 40 0 EFABLO Cc1cc(C(=O)N2CCc3ccccc3C2)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257257653 244286246 /nfs/dbraw/zinc/28/62/46/244286246.db2.gz KQOJMMLSFHTFGX-SFHVURJKSA-N 1 2 336.439 2.750 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)[nH+]1 ZINC000257258035 244288879 /nfs/dbraw/zinc/28/88/79/244288879.db2.gz KSDDMADFPIGHIT-OAHLLOKOSA-N 1 2 343.475 2.680 40 0 EFABLO Cc1cccc(Nc2ccc([C@@H]3CN(c4ncccn4)CCO3)nc2)[nH+]1 ZINC000257266222 244360191 /nfs/dbraw/zinc/36/01/91/244360191.db2.gz MCASCTLLHHTRKC-KRWDZBQOSA-N 1 2 348.410 2.897 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257268984 244370711 /nfs/dbraw/zinc/37/07/11/244370711.db2.gz MOBSPDJDILPAON-AWEZNQCLSA-N 1 2 327.384 2.509 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1c1cncc(C)n1 ZINC000257270063 244372477 /nfs/dbraw/zinc/37/24/77/244372477.db2.gz MSPXTQHTUHDZFL-SFHVURJKSA-N 1 2 335.411 2.807 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)c2scnc2C)CC[N@@H+]1C ZINC000257262072 244349362 /nfs/dbraw/zinc/34/93/62/244349362.db2.gz LJXVDBCYHUYUGY-CQSZACIVSA-N 1 2 331.441 2.589 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)c2scnc2C)CC[N@H+]1C ZINC000257262072 244349368 /nfs/dbraw/zinc/34/93/68/244349368.db2.gz LJXVDBCYHUYUGY-CQSZACIVSA-N 1 2 331.441 2.589 40 0 EFABLO Cc1cc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)c(=O)[nH]c1C ZINC000257264824 244358993 /nfs/dbraw/zinc/35/89/93/244358993.db2.gz LWDIQJCDCVYTCU-HNNXBMFYSA-N 1 2 340.427 2.540 40 0 EFABLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2nccs2)c1 ZINC000019657801 212054407 /nfs/dbraw/zinc/05/44/07/212054407.db2.gz FHFKUTUIMWJDDQ-AWEZNQCLSA-N 1 2 347.440 2.936 40 0 EFABLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2nccs2)c1 ZINC000019657801 212054410 /nfs/dbraw/zinc/05/44/10/212054410.db2.gz FHFKUTUIMWJDDQ-AWEZNQCLSA-N 1 2 347.440 2.936 40 0 EFABLO C[C@@]12CCC(=O)N1CCC[N@@H+]2Cc1cnn(-c2ccc(F)cc2)c1 ZINC000019656828 212053049 /nfs/dbraw/zinc/05/30/49/212053049.db2.gz XRUONDTWRNRTMO-SFHVURJKSA-N 1 2 328.391 2.556 40 0 EFABLO C[C@@]12CCC(=O)N1CCC[N@H+]2Cc1cnn(-c2ccc(F)cc2)c1 ZINC000019656828 212053052 /nfs/dbraw/zinc/05/30/52/212053052.db2.gz XRUONDTWRNRTMO-SFHVURJKSA-N 1 2 328.391 2.556 40 0 EFABLO COc1ccc(CC(=O)N2CC[N@H+](Cc3ccco3)C[C@H]2C)cc1 ZINC000019574545 212045685 /nfs/dbraw/zinc/04/56/85/212045685.db2.gz UAQCMCRJYSWCSB-OAHLLOKOSA-N 1 2 328.412 2.564 40 0 EFABLO COc1ccc(CC(=O)N2CC[N@@H+](Cc3ccco3)C[C@H]2C)cc1 ZINC000019574545 212045688 /nfs/dbraw/zinc/04/56/88/212045688.db2.gz UAQCMCRJYSWCSB-OAHLLOKOSA-N 1 2 328.412 2.564 40 0 EFABLO CS(=O)(=O)c1cccnc1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000019573585 212045582 /nfs/dbraw/zinc/04/55/82/212045582.db2.gz FXGZZDHVTOXFGQ-ZDUSSCGKSA-N 1 2 336.482 2.926 40 0 EFABLO CS(=O)(=O)c1cccnc1[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000019573585 212045586 /nfs/dbraw/zinc/04/55/86/212045586.db2.gz FXGZZDHVTOXFGQ-ZDUSSCGKSA-N 1 2 336.482 2.926 40 0 EFABLO COc1ccc2nc(C[N@@H+]3CCc4c(nc(C)[nH]c4=O)C3)ccc2c1 ZINC000019576619 212045336 /nfs/dbraw/zinc/04/53/36/212045336.db2.gz KFCRJRDLNWDJCG-UHFFFAOYSA-N 1 2 336.395 2.606 40 0 EFABLO COc1ccc2nc(C[N@H+]3CCc4c(nc(C)[nH]c4=O)C3)ccc2c1 ZINC000019576619 212045339 /nfs/dbraw/zinc/04/53/39/212045339.db2.gz KFCRJRDLNWDJCG-UHFFFAOYSA-N 1 2 336.395 2.606 40 0 EFABLO CCOC(=O)CN1C[N@H+](CCc2ccccc2)CC(C)(C)[C@@H]1OCC ZINC000019327630 212017015 /nfs/dbraw/zinc/01/70/15/212017015.db2.gz MPRXAGUAEXBUCL-IBGZPJMESA-N 1 2 348.487 2.756 40 0 EFABLO CCOC(=O)CN1C[N@@H+](CCc2ccccc2)CC(C)(C)[C@@H]1OCC ZINC000019327630 212017019 /nfs/dbraw/zinc/01/70/19/212017019.db2.gz MPRXAGUAEXBUCL-IBGZPJMESA-N 1 2 348.487 2.756 40 0 EFABLO CCOC(=O)CN1C[N@H+](CCc2ccccc2)CC(C)(C)[C@H]1OCC ZINC000019320762 212015460 /nfs/dbraw/zinc/01/54/60/212015460.db2.gz MPRXAGUAEXBUCL-LJQANCHMSA-N 1 2 348.487 2.756 40 0 EFABLO CCOC(=O)CN1C[N@@H+](CCc2ccccc2)CC(C)(C)[C@H]1OCC ZINC000019320762 212015462 /nfs/dbraw/zinc/01/54/62/212015462.db2.gz MPRXAGUAEXBUCL-LJQANCHMSA-N 1 2 348.487 2.756 40 0 EFABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000019293903 212013197 /nfs/dbraw/zinc/01/31/97/212013197.db2.gz UJJLCMFDHRQESX-UHFFFAOYSA-N 1 2 336.370 2.529 40 0 EFABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000019293903 212013199 /nfs/dbraw/zinc/01/31/99/212013199.db2.gz UJJLCMFDHRQESX-UHFFFAOYSA-N 1 2 336.370 2.529 40 0 EFABLO O=S(=O)(Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000078556803 217077700 /nfs/dbraw/zinc/07/77/00/217077700.db2.gz QRZMQHWBUWAXHE-UHFFFAOYSA-N 1 2 343.408 2.763 40 0 EFABLO Cc1cc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)no1 ZINC000078774613 217118956 /nfs/dbraw/zinc/11/89/56/217118956.db2.gz NVYGBFDOJGJTTF-UHFFFAOYSA-N 1 2 326.356 2.532 40 0 EFABLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CC(=O)NCc1ccccn1 ZINC000078923123 217148815 /nfs/dbraw/zinc/14/88/15/217148815.db2.gz VGVDWMMJVQGKSQ-GUXCAODWSA-N 1 2 339.439 2.548 40 0 EFABLO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CC(=O)NCc1ccccn1 ZINC000078923123 217148816 /nfs/dbraw/zinc/14/88/16/217148816.db2.gz VGVDWMMJVQGKSQ-GUXCAODWSA-N 1 2 339.439 2.548 40 0 EFABLO CN(C)c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)nc1 ZINC000078927883 217150251 /nfs/dbraw/zinc/15/02/51/217150251.db2.gz WZPHNUIGIYXSHU-KRWDZBQOSA-N 1 2 339.443 2.536 40 0 EFABLO CN(C)c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)nc1 ZINC000078927883 217150254 /nfs/dbraw/zinc/15/02/54/217150254.db2.gz WZPHNUIGIYXSHU-KRWDZBQOSA-N 1 2 339.443 2.536 40 0 EFABLO Cc1cc(C)n(-c2cncc(NCc3ccc(N4CCCC4)[nH+]c3)n2)n1 ZINC000078979680 217162481 /nfs/dbraw/zinc/16/24/81/217162481.db2.gz PEGUHMRIADWLNI-UHFFFAOYSA-N 1 2 349.442 2.886 40 0 EFABLO Cc1[nH+]c(-c2ccncc2)nc(NCCc2cccc(C(N)=O)c2)c1C ZINC000079096888 217191587 /nfs/dbraw/zinc/19/15/87/217191587.db2.gz FTZPXUVXTSOJFY-UHFFFAOYSA-N 1 2 347.422 2.909 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@H]1CNc1cc(NC2CC2)nc[nH+]1 ZINC000079439840 217224269 /nfs/dbraw/zinc/22/42/69/217224269.db2.gz YJHXSSVPMKGHKR-ZDUSSCGKSA-N 1 2 333.436 2.862 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000079439840 217224273 /nfs/dbraw/zinc/22/42/73/217224273.db2.gz YJHXSSVPMKGHKR-ZDUSSCGKSA-N 1 2 333.436 2.862 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2[nH]c3ccc(F)cc3c2C)[nH+]1 ZINC000257233838 291618524 /nfs/dbraw/zinc/61/85/24/291618524.db2.gz GQYGGGOGLDMZBB-HNNXBMFYSA-N 1 2 342.374 2.861 40 0 EFABLO CC(C)(C)c1cc(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)no1 ZINC000266624601 248388275 /nfs/dbraw/zinc/38/82/75/248388275.db2.gz VXZXWXROPRAKNO-UHFFFAOYSA-N 1 2 343.427 2.636 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccncc2)CC1 ZINC000012116335 211296279 /nfs/dbraw/zinc/29/62/79/211296279.db2.gz PBBAVNBYERPBPU-UHFFFAOYSA-N 1 2 349.438 2.501 40 0 EFABLO Cc1csc([C@@H](Cc2ccsc2)NC(=O)Cn2cc[nH+]c2)n1 ZINC000012087888 211289272 /nfs/dbraw/zinc/28/92/72/211289272.db2.gz RPBMWLQFVSICCG-CYBMUJFWSA-N 1 2 332.454 2.810 40 0 EFABLO Cc1csc2c(C3CCN(C(=O)c4ccn(C)n4)CC3)[nH+]c(C)n12 ZINC000012087550 211288728 /nfs/dbraw/zinc/28/87/28/211288728.db2.gz YUCGBRMQTQLSND-UHFFFAOYSA-N 1 2 343.456 2.766 40 0 EFABLO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCCN(C(N)=O)CC1 ZINC000092754200 218165126 /nfs/dbraw/zinc/16/51/26/218165126.db2.gz LKIOWVKHFQSWRT-UHFFFAOYSA-N 1 2 332.231 2.588 40 0 EFABLO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCCN(C(N)=O)CC1 ZINC000092754200 218165127 /nfs/dbraw/zinc/16/51/27/218165127.db2.gz LKIOWVKHFQSWRT-UHFFFAOYSA-N 1 2 332.231 2.588 40 0 EFABLO COc1ccccc1CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000009606207 211107173 /nfs/dbraw/zinc/10/71/73/211107173.db2.gz ZFTVLHGSKFUOHB-IBGZPJMESA-N 1 2 335.407 2.877 40 0 EFABLO CCN(Cc1ccc(OC)c(OC)c1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000095428511 218370654 /nfs/dbraw/zinc/37/06/54/218370654.db2.gz RWBDYEWBCNAXOI-UHFFFAOYSA-N 1 2 339.399 2.706 40 0 EFABLO Cc1cccc2[nH+]c(CNC(=O)[C@H](O)c3ccccc3Cl)cn21 ZINC000095450394 218394307 /nfs/dbraw/zinc/39/43/07/218394307.db2.gz CUEHJWWAZZPYMG-MRXNPFEDSA-N 1 2 329.787 2.646 40 0 EFABLO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000004967553 210342766 /nfs/dbraw/zinc/34/27/66/210342766.db2.gz VBWFUJBANZVJRM-CRAIPNDOSA-N 1 2 348.462 2.804 40 0 EFABLO Fc1ccccc1Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC000004942003 210332352 /nfs/dbraw/zinc/33/23/52/210332352.db2.gz DIDHRGKREPMSQF-UHFFFAOYSA-N 1 2 328.395 2.955 40 0 EFABLO Cc1cc(N2CCC[C@@H]2CC(=O)c2cnn(C)c2)nc(C2CC2)[nH+]1 ZINC000097233426 219001317 /nfs/dbraw/zinc/00/13/17/219001317.db2.gz ZCJCLEJHDSEIIP-OAHLLOKOSA-N 1 2 325.416 2.638 40 0 EFABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000097378535 219020259 /nfs/dbraw/zinc/02/02/59/219020259.db2.gz ZGEXACSHGWXYLP-AWEZNQCLSA-N 1 2 344.484 2.800 40 0 EFABLO Cc1csc(C(=O)N2CC[NH+](C[C@@H](O)c3cccs3)CC2)c1 ZINC000049031421 257853845 /nfs/dbraw/zinc/85/38/45/257853845.db2.gz ZFELXEJCYCAWGQ-CYBMUJFWSA-N 1 2 336.482 2.609 40 0 EFABLO CC(C)n1cc[nH+]c1[C@H]1CN(C(=O)c2ccnn2C)Cc2ccccc21 ZINC000306133893 257921805 /nfs/dbraw/zinc/92/18/05/257921805.db2.gz MYPOJSPCDYTXCI-KRWDZBQOSA-N 1 2 349.438 2.985 40 0 EFABLO Cc1ccc([C@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000159064658 225138957 /nfs/dbraw/zinc/13/89/57/225138957.db2.gz MWNCWYPFXJSJDV-HNNXBMFYSA-N 1 2 328.416 2.571 40 0 EFABLO Fc1cc(NCc2c[nH+]c3ccccn23)cc(N2CCOCC2)c1 ZINC000127168348 544629467 /nfs/dbraw/zinc/62/94/67/544629467.db2.gz FONGOTRITQGACB-UHFFFAOYSA-N 1 2 326.375 2.922 40 0 EFABLO CCC[C@@H](NC(N)=O)C(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000272533393 266298600 /nfs/dbraw/zinc/29/86/00/266298600.db2.gz KHFWJGBFIMKMGU-DZGCQCFKSA-N 1 2 347.463 2.544 40 0 EFABLO CC(C)c1[nH]ccc1C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285794022 274076335 /nfs/dbraw/zinc/07/63/35/274076335.db2.gz DHYBOYFZTSTRJV-INIZCTEOSA-N 1 2 330.432 2.769 40 0 EFABLO COc1cccc(C[N@H+]2CCc3nc4ccsc4c(=O)n3CC2)c1 ZINC000019565492 278011130 /nfs/dbraw/zinc/01/11/30/278011130.db2.gz UMMIJWLPZJZHNI-UHFFFAOYSA-N 1 2 341.436 2.525 40 0 EFABLO COc1cccc(C[N@@H+]2CCc3nc4ccsc4c(=O)n3CC2)c1 ZINC000019565492 278011133 /nfs/dbraw/zinc/01/11/33/278011133.db2.gz UMMIJWLPZJZHNI-UHFFFAOYSA-N 1 2 341.436 2.525 40 0 EFABLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000110699512 293224270 /nfs/dbraw/zinc/22/42/70/293224270.db2.gz VNMKKBILELFTHK-GJZGRUSLSA-N 1 2 335.354 2.745 40 0 EFABLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000110699512 293224275 /nfs/dbraw/zinc/22/42/75/293224275.db2.gz VNMKKBILELFTHK-GJZGRUSLSA-N 1 2 335.354 2.745 40 0 EFABLO Cc1onc2c1c(C)nn(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)c2=O ZINC000096403278 294063079 /nfs/dbraw/zinc/06/30/79/294063079.db2.gz TYOURANPZSJENP-MRXNPFEDSA-N 1 2 338.411 2.666 40 0 EFABLO Cc1onc2c1c(C)nn(C[N@H+]1CCC[C@@H]1Cc1ccccc1)c2=O ZINC000096403278 294063094 /nfs/dbraw/zinc/06/30/94/294063094.db2.gz TYOURANPZSJENP-MRXNPFEDSA-N 1 2 338.411 2.666 40 0 EFABLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(C)n(C)n1 ZINC000019658750 295388166 /nfs/dbraw/zinc/38/81/66/295388166.db2.gz NFOKXOFUVGQEJU-HNNXBMFYSA-N 1 2 328.416 2.513 40 0 EFABLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(C)n(C)n1 ZINC000019658750 295388168 /nfs/dbraw/zinc/38/81/68/295388168.db2.gz NFOKXOFUVGQEJU-HNNXBMFYSA-N 1 2 328.416 2.513 40 0 EFABLO COc1ccccc1[C@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1ccno1 ZINC000257210093 295414993 /nfs/dbraw/zinc/41/49/93/295414993.db2.gz BTCULNWOZYRAFB-CQSZACIVSA-N 1 2 338.367 2.585 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2csc3c2CCCC3)[nH+]1 ZINC000257225818 301025159 /nfs/dbraw/zinc/02/51/59/301025159.db2.gz FHYCESTVXVPZIC-CQSZACIVSA-N 1 2 331.441 2.872 40 0 EFABLO Cc1nn(C)c2nc(C)cc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)c12 ZINC000120133739 302790453 /nfs/dbraw/zinc/79/04/53/302790453.db2.gz VTTLRMBXAZTEQE-AWEZNQCLSA-N 1 2 338.415 2.676 40 0 EFABLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3csnc3C)CC2)c1 ZINC000181941835 533703658 /nfs/dbraw/zinc/70/36/58/533703658.db2.gz IWWMXIBPOZSKSC-CQSZACIVSA-N 1 2 345.468 2.979 40 0 EFABLO CCCn1cc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)cn1 ZINC000097235448 323214402 /nfs/dbraw/zinc/21/44/02/323214402.db2.gz XAIKIAYGFZEAJA-UHFFFAOYSA-N 1 2 326.444 2.560 40 0 EFABLO Cc1cnc([C@@H]([NH2+]Cc2cc(=O)n3ccsc3n2)C2CC2)s1 ZINC000097374416 323214713 /nfs/dbraw/zinc/21/47/13/323214713.db2.gz PWRIIZJXXFFQJL-ZDUSSCGKSA-N 1 2 332.454 2.762 40 0 EFABLO CCc1nc([C@@H](C)[NH2+]Cc2cc(=O)n3c(C)csc3n2)cs1 ZINC000097374481 323214807 /nfs/dbraw/zinc/21/48/07/323214807.db2.gz TUZCLOZKUXMQQX-SNVBAGLBSA-N 1 2 334.470 2.934 40 0 EFABLO C[C@H](N1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1)C(F)(F)F ZINC000390834347 323779726 /nfs/dbraw/zinc/77/97/26/323779726.db2.gz WWKMXHUIJVOENE-UONOGXRCSA-N 1 2 349.441 2.592 40 0 EFABLO COc1cccc(NCCc2nc([C@H]([NH3+])c3ccc(F)cc3)n[nH]2)c1 ZINC000095533288 473222368 /nfs/dbraw/zinc/22/23/68/473222368.db2.gz KDKILADVTJHQBF-QGZVFWFLSA-N 1 2 341.390 2.655 40 0 EFABLO COc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1OC ZINC000095533315 473222722 /nfs/dbraw/zinc/22/27/22/473222722.db2.gz KAFNIUKIBARMCN-HNNXBMFYSA-N 1 2 328.347 2.676 40 0 EFABLO COc1cccc([C@H]([NH3+])c2nnc(-c3ccc(OC)c(OC)c3)[nH]2)c1 ZINC000095533580 473222786 /nfs/dbraw/zinc/22/27/86/473222786.db2.gz GLXSHKPZLUXLIV-INIZCTEOSA-N 1 2 340.383 2.546 40 0 EFABLO COc1cccc(NCCc2nc([C@H]([NH3+])Cc3ccccc3)n[nH]2)c1 ZINC000095534870 473223665 /nfs/dbraw/zinc/22/36/65/473223665.db2.gz RZMMSCAPKCQUHT-QGZVFWFLSA-N 1 2 337.427 2.710 40 0 EFABLO CC(C)(C)OC(=O)N1CC[C@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000095698576 473223841 /nfs/dbraw/zinc/22/38/41/473223841.db2.gz XKKJCBQUOXEBOD-DLBZAZTESA-N 1 2 332.444 2.897 40 0 EFABLO CC(C)(C)OC(=O)N1CC[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000095698576 473223846 /nfs/dbraw/zinc/22/38/46/473223846.db2.gz XKKJCBQUOXEBOD-DLBZAZTESA-N 1 2 332.444 2.897 40 0 EFABLO Cc1cccc(CO[C@@H]2C[N@H+](Cc3nccs3)[C@@H]3CCCO[C@H]23)n1 ZINC000096042504 473264801 /nfs/dbraw/zinc/26/48/01/473264801.db2.gz RUILSRKHQOPVMT-NUJGCVRESA-N 1 2 345.468 2.795 40 0 EFABLO Cc1cccc(CO[C@@H]2C[N@@H+](Cc3nccs3)[C@@H]3CCCO[C@H]23)n1 ZINC000096042504 473264807 /nfs/dbraw/zinc/26/48/07/473264807.db2.gz RUILSRKHQOPVMT-NUJGCVRESA-N 1 2 345.468 2.795 40 0 EFABLO COc1ncccc1CN1Cc2[nH+]cn(C)c2[C@@H](COCC(C)C)C1 ZINC000096044847 473265735 /nfs/dbraw/zinc/26/57/35/473265735.db2.gz WWXMEWPDNHTHPR-MRXNPFEDSA-N 1 2 344.459 2.596 40 0 EFABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(C(=O)Cc1cccs1)C2 ZINC000096044933 473266311 /nfs/dbraw/zinc/26/63/11/473266311.db2.gz MCICIQZEAALCSH-CQSZACIVSA-N 1 2 345.468 2.577 40 0 EFABLO CCn1cc2c(n1)C[N@@H+](Cc1cccnc1)C[C@@H]2COCC1CC1 ZINC000096045230 473266889 /nfs/dbraw/zinc/26/68/89/473266889.db2.gz OHWISKFFEWFGGG-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO CCn1cc2c(n1)C[N@H+](Cc1cccnc1)C[C@@H]2COCC1CC1 ZINC000096045230 473266895 /nfs/dbraw/zinc/26/68/95/473266895.db2.gz OHWISKFFEWFGGG-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)[C@H]1CCCOC1 ZINC000081932442 473273130 /nfs/dbraw/zinc/27/31/30/473273130.db2.gz DGGVJFONHYDWEZ-KRWDZBQOSA-N 1 2 327.428 2.559 40 0 EFABLO Cc1nc(C[N@@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096065417 473287125 /nfs/dbraw/zinc/28/71/25/473287125.db2.gz GAUIUFVWOIZYEH-SQNIBIBYSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1nc(C[N@H+]2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096065417 473287135 /nfs/dbraw/zinc/28/71/35/473287135.db2.gz GAUIUFVWOIZYEH-SQNIBIBYSA-N 1 2 345.468 2.795 40 0 EFABLO CCn1cc2c(n1)C[N@@H+](CCOCc1ccccc1)C[C@H]2COC ZINC000096068690 473288449 /nfs/dbraw/zinc/28/84/49/473288449.db2.gz UNUJSIGGKVOOGW-KRWDZBQOSA-N 1 2 329.444 2.665 40 0 EFABLO CCn1cc2c(n1)C[N@H+](CCOCc1ccccc1)C[C@H]2COC ZINC000096068690 473288456 /nfs/dbraw/zinc/28/84/56/473288456.db2.gz UNUJSIGGKVOOGW-KRWDZBQOSA-N 1 2 329.444 2.665 40 0 EFABLO c1csc(C[N@@H+]2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)n1 ZINC000096070674 473288930 /nfs/dbraw/zinc/28/89/30/473288930.db2.gz GPNVYSDQBALFJZ-RWMBFGLXSA-N 1 2 332.429 2.756 40 0 EFABLO c1csc(C[N@H+]2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)n1 ZINC000096070674 473288939 /nfs/dbraw/zinc/28/89/39/473288939.db2.gz GPNVYSDQBALFJZ-RWMBFGLXSA-N 1 2 332.429 2.756 40 0 EFABLO Cc1nc(C[N@@H+]2CC[C@]23CCN(C(=O)Cc2ccsc2)C3)cs1 ZINC000096076044 473290360 /nfs/dbraw/zinc/29/03/60/473290360.db2.gz WBVJYGCQMHYVHJ-KRWDZBQOSA-N 1 2 347.509 2.933 40 0 EFABLO Cc1nc(C[N@H+]2CC[C@]23CCN(C(=O)Cc2ccsc2)C3)cs1 ZINC000096076044 473290368 /nfs/dbraw/zinc/29/03/68/473290368.db2.gz WBVJYGCQMHYVHJ-KRWDZBQOSA-N 1 2 347.509 2.933 40 0 EFABLO Cn1cc(-c2cc(C[N@@H+]3CCO[C@H](c4ccsc4)C3)on2)cn1 ZINC000185023033 473304795 /nfs/dbraw/zinc/30/47/95/473304795.db2.gz ZHTQVUNJJIZPGP-INIZCTEOSA-N 1 2 330.413 2.710 40 0 EFABLO Cn1cc(-c2cc(C[N@H+]3CCO[C@H](c4ccsc4)C3)on2)cn1 ZINC000185023033 473304803 /nfs/dbraw/zinc/30/48/03/473304803.db2.gz ZHTQVUNJJIZPGP-INIZCTEOSA-N 1 2 330.413 2.710 40 0 EFABLO COCC[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000096503141 473454716 /nfs/dbraw/zinc/45/47/16/473454716.db2.gz LDSQZROETVNCCM-ZIAGYGMSSA-N 1 2 325.478 2.561 40 0 EFABLO Cc1nc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3c2cccnc2)cs1 ZINC000096186460 473329320 /nfs/dbraw/zinc/32/93/20/473329320.db2.gz NGITZMAXRFVGEC-HOTGVXAUSA-N 1 2 328.441 2.616 40 0 EFABLO Cc1nc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3c2cccnc2)cs1 ZINC000096186460 473329330 /nfs/dbraw/zinc/32/93/30/473329330.db2.gz NGITZMAXRFVGEC-HOTGVXAUSA-N 1 2 328.441 2.616 40 0 EFABLO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@@H+](Cc1ccoc1)C2 ZINC000096189173 473330720 /nfs/dbraw/zinc/33/07/20/473330720.db2.gz YLRIQHSLAAOSAZ-QGZVFWFLSA-N 1 2 338.411 2.720 40 0 EFABLO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@H+](Cc1ccoc1)C2 ZINC000096189173 473330727 /nfs/dbraw/zinc/33/07/27/473330727.db2.gz YLRIQHSLAAOSAZ-QGZVFWFLSA-N 1 2 338.411 2.720 40 0 EFABLO Cc1ccc2c(n1)N(CCn1cccn1)CC[N@@H+](Cc1ccoc1)C2 ZINC000096199106 473335880 /nfs/dbraw/zinc/33/58/80/473335880.db2.gz SLKFWBDBTMKDQE-UHFFFAOYSA-N 1 2 337.427 2.702 40 0 EFABLO Cc1ccc2c(n1)N(CCn1cccn1)CC[N@H+](Cc1ccoc1)C2 ZINC000096199106 473335888 /nfs/dbraw/zinc/33/58/88/473335888.db2.gz SLKFWBDBTMKDQE-UHFFFAOYSA-N 1 2 337.427 2.702 40 0 EFABLO Cc1cc(C[N@@H+]2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)no1 ZINC000096205925 473340650 /nfs/dbraw/zinc/34/06/50/473340650.db2.gz MJLIZHHLHADIPS-OALUTQOASA-N 1 2 343.427 2.718 40 0 EFABLO Cc1cc(C[N@H+]2CCC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)no1 ZINC000096205925 473340657 /nfs/dbraw/zinc/34/06/57/473340657.db2.gz MJLIZHHLHADIPS-OALUTQOASA-N 1 2 343.427 2.718 40 0 EFABLO O=C(Cc1cccs1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096209580 473345156 /nfs/dbraw/zinc/34/51/56/473345156.db2.gz DUFCEUWGXPQVOB-HNNXBMFYSA-N 1 2 345.468 2.572 40 0 EFABLO CO[C@H]1CCN(Cc2ccoc2)[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096209889 473348253 /nfs/dbraw/zinc/34/82/53/473348253.db2.gz UWAZPSIDMZEQMT-KSZLIROESA-N 1 2 347.484 2.766 40 0 EFABLO CO[C@H]1CCN(Cc2ccoc2)[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096209889 473348265 /nfs/dbraw/zinc/34/82/65/473348265.db2.gz UWAZPSIDMZEQMT-KSZLIROESA-N 1 2 347.484 2.766 40 0 EFABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2coc3ccccc23)CC1 ZINC000113148990 473359713 /nfs/dbraw/zinc/35/97/13/473359713.db2.gz MIBZCJIBJYKXOV-UHFFFAOYSA-N 1 2 339.395 2.996 40 0 EFABLO CCc1nnc(C2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)[nH]1 ZINC000190703826 473367403 /nfs/dbraw/zinc/36/74/03/473367403.db2.gz XUUCUHBQOZNQOH-UHFFFAOYSA-N 1 2 341.459 2.802 40 0 EFABLO CCc1n[nH]c(C2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)n1 ZINC000190703826 473367407 /nfs/dbraw/zinc/36/74/07/473367407.db2.gz XUUCUHBQOZNQOH-UHFFFAOYSA-N 1 2 341.459 2.802 40 0 EFABLO CCc1nc(C2CC[NH+](CC(=O)Nc3cccc(C)c3C)CC2)n[nH]1 ZINC000190703826 473367413 /nfs/dbraw/zinc/36/74/13/473367413.db2.gz XUUCUHBQOZNQOH-UHFFFAOYSA-N 1 2 341.459 2.802 40 0 EFABLO c1csc(C[N@@H+]2CCc3ncnc(Oc4cccnc4)c3CC2)n1 ZINC000096255663 473366040 /nfs/dbraw/zinc/36/60/40/473366040.db2.gz PJQJAHNCGLRVCT-UHFFFAOYSA-N 1 2 339.424 2.721 40 0 EFABLO c1csc(C[N@H+]2CCc3ncnc(Oc4cccnc4)c3CC2)n1 ZINC000096255663 473366046 /nfs/dbraw/zinc/36/60/46/473366046.db2.gz PJQJAHNCGLRVCT-UHFFFAOYSA-N 1 2 339.424 2.721 40 0 EFABLO Cc1[nH+]c(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccn23)cn1C ZINC000096266806 473370012 /nfs/dbraw/zinc/37/00/12/473370012.db2.gz CCQMNSKJJHTRDT-AWEZNQCLSA-N 1 2 338.411 2.557 40 0 EFABLO C[C@](O)(CNC(=O)NCCc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000190739031 473380024 /nfs/dbraw/zinc/38/00/24/473380024.db2.gz USMCAZDFENVQTH-IBGZPJMESA-N 1 2 344.459 2.507 40 0 EFABLO Fc1ccc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc1Br ZINC000185264401 473380372 /nfs/dbraw/zinc/38/03/72/473380372.db2.gz ZOGZMJTXPJZYGZ-ZDUSSCGKSA-N 1 2 340.196 2.885 40 0 EFABLO C[NH+](C)[C@H](CNC(=O)C1(C)CCOCC1)c1c(F)cccc1F ZINC000096406388 473384138 /nfs/dbraw/zinc/38/41/38/473384138.db2.gz SBRCALLCQJBVFL-CQSZACIVSA-N 1 2 326.387 2.500 40 0 EFABLO CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000096410010 473387796 /nfs/dbraw/zinc/38/77/96/473387796.db2.gz FJJOELGEICHOLG-QGZVFWFLSA-N 1 2 349.390 2.784 40 0 EFABLO COC(=O)C[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000096409815 473388554 /nfs/dbraw/zinc/38/85/54/473388554.db2.gz RCZIHDDDHDAUTR-GOSISDBHSA-N 1 2 349.390 2.907 40 0 EFABLO COc1ccccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000096410840 473389612 /nfs/dbraw/zinc/38/96/12/473389612.db2.gz NCLZEXWWRKWKDT-UHFFFAOYSA-N 1 2 347.371 2.821 40 0 EFABLO O=C(CCCn1cc[nH+]c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000096412591 473391784 /nfs/dbraw/zinc/39/17/84/473391784.db2.gz HEQHQNYSOJWPGB-IBGZPJMESA-N 1 2 345.418 2.775 40 0 EFABLO COc1cc(OC)cc(OC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)c1 ZINC000000810188 471376146 /nfs/dbraw/zinc/37/61/46/471376146.db2.gz LSHIXIYCFYAHPH-AWEZNQCLSA-N 1 2 342.395 2.802 40 0 EFABLO Cc1cc(N2CC[NH+](C)CC2)nc(SCC(=O)c2ccccc2)n1 ZINC000001518331 471392403 /nfs/dbraw/zinc/39/24/03/471392403.db2.gz SISZKZZGYACFEO-UHFFFAOYSA-N 1 2 342.468 2.512 40 0 EFABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1)C[N@@H+](C)CC2 ZINC000004223465 471461489 /nfs/dbraw/zinc/46/14/89/471461489.db2.gz FLFGYWKEUFXQNS-UHFFFAOYSA-N 1 2 330.409 2.775 40 0 EFABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1)C[N@H+](C)CC2 ZINC000004223465 471461496 /nfs/dbraw/zinc/46/14/96/471461496.db2.gz FLFGYWKEUFXQNS-UHFFFAOYSA-N 1 2 330.409 2.775 40 0 EFABLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2OC)c(OC)c1 ZINC000006590468 471552950 /nfs/dbraw/zinc/55/29/50/471552950.db2.gz OJYXCMRXMCNJGR-UHFFFAOYSA-N 1 2 344.411 2.783 40 0 EFABLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2OC)c(OC)c1 ZINC000006590468 471552955 /nfs/dbraw/zinc/55/29/55/471552955.db2.gz OJYXCMRXMCNJGR-UHFFFAOYSA-N 1 2 344.411 2.783 40 0 EFABLO COc1nc2cc(C)ccc2cc1C[N@H+](C)[C@]1(C)CCS(=O)(=O)C1 ZINC000012148171 471766821 /nfs/dbraw/zinc/76/68/21/471766821.db2.gz RUCBCHSCWXIOOS-GOSISDBHSA-N 1 2 348.468 2.561 40 0 EFABLO COc1nc2cc(C)ccc2cc1C[N@@H+](C)[C@]1(C)CCS(=O)(=O)C1 ZINC000012148171 471766830 /nfs/dbraw/zinc/76/68/30/471766830.db2.gz RUCBCHSCWXIOOS-GOSISDBHSA-N 1 2 348.468 2.561 40 0 EFABLO COc1ccc(C[N@@H+](Cc2cnn(C)c2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187202 471767917 /nfs/dbraw/zinc/76/79/17/471767917.db2.gz ZYBVJLTZWXSMCC-GOSISDBHSA-N 1 2 345.443 2.619 40 0 EFABLO COc1ccc(C[N@H+](Cc2cnn(C)c2)C[C@H]2CCCO2)c(OC)c1 ZINC000012187202 471767922 /nfs/dbraw/zinc/76/79/22/471767922.db2.gz ZYBVJLTZWXSMCC-GOSISDBHSA-N 1 2 345.443 2.619 40 0 EFABLO O=c1cc(CO)oc([C@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c1O ZINC000013140530 471818213 /nfs/dbraw/zinc/81/82/13/471818213.db2.gz JCPHBSBXPBYVQO-MRXNPFEDSA-N 1 2 342.326 2.573 40 0 EFABLO CC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000013769478 471842509 /nfs/dbraw/zinc/84/25/09/471842509.db2.gz ALQSPMZNXDCOQE-UHFFFAOYSA-N 1 2 343.452 2.997 40 0 EFABLO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000015674496 471914043 /nfs/dbraw/zinc/91/40/43/471914043.db2.gz GEELJXQSLADKLK-CVEARBPZSA-N 1 2 340.358 2.579 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000015674496 471914049 /nfs/dbraw/zinc/91/40/49/471914049.db2.gz GEELJXQSLADKLK-CVEARBPZSA-N 1 2 340.358 2.579 40 0 biogenic,in-vitro EFABLO CC(C)NC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(Cl)cc1 ZINC000015676310 471914422 /nfs/dbraw/zinc/91/44/22/471914422.db2.gz QETXBMGIRNEOSC-INIZCTEOSA-N 1 2 332.835 2.515 40 0 biogenic,in-vitro EFABLO CC(C)NC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(Cl)cc1 ZINC000015676310 471914425 /nfs/dbraw/zinc/91/44/25/471914425.db2.gz QETXBMGIRNEOSC-INIZCTEOSA-N 1 2 332.835 2.515 40 0 biogenic,in-vitro EFABLO O=C(Cc1ccccc1F)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023955984 472040701 /nfs/dbraw/zinc/04/07/01/472040701.db2.gz XCBSBGYYYSJZSP-UHFFFAOYSA-N 1 2 342.414 2.517 40 0 EFABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000023995639 472042624 /nfs/dbraw/zinc/04/26/24/472042624.db2.gz KLIZATXPQMJZEK-UHFFFAOYSA-N 1 2 328.387 2.792 40 0 EFABLO CN(C)c1cc(CNC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc[nH+]1 ZINC000067563190 472050486 /nfs/dbraw/zinc/05/04/86/472050486.db2.gz CWNUPPSXLZDLGL-JKSUJKDBSA-N 1 2 328.391 2.642 40 0 EFABLO COc1ccccc1CNc1[nH+]cnc2c1cnn2-c1ccccn1 ZINC000041529425 472067374 /nfs/dbraw/zinc/06/73/74/472067374.db2.gz NWGAFALMZHMIED-UHFFFAOYSA-N 1 2 332.367 2.831 40 0 EFABLO COc1cccc(CNc2[nH+]cnc3c2cnn3-c2ccccn2)c1 ZINC000041529428 472068029 /nfs/dbraw/zinc/06/80/29/472068029.db2.gz RIFCAJZSXZGVDH-UHFFFAOYSA-N 1 2 332.367 2.831 40 0 EFABLO COc1ccc(C)cc1CCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025248811 472087004 /nfs/dbraw/zinc/08/70/04/472087004.db2.gz UGLMHCHFGGNAOT-UHFFFAOYSA-N 1 2 336.395 2.557 40 0 EFABLO COC(=O)C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000042268007 472125929 /nfs/dbraw/zinc/12/59/29/472125929.db2.gz UIRCYEZFPPMPPB-UHFFFAOYSA-N 1 2 330.197 2.973 40 0 EFABLO COc1ccccc1CN(CCCn1cc[nH+]c1)Cc1nccn1C ZINC000043277814 472217851 /nfs/dbraw/zinc/21/78/51/472217851.db2.gz ZVFNJZGEZUGFRZ-UHFFFAOYSA-N 1 2 339.443 2.718 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1F ZINC000029086378 472249618 /nfs/dbraw/zinc/24/96/18/472249618.db2.gz LENGLFSZIJYFNH-KRWDZBQOSA-N 1 2 349.369 2.955 40 0 EFABLO C[C@@H](c1ccco1)N(C(=O)NCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000086362255 472281459 /nfs/dbraw/zinc/28/14/59/472281459.db2.gz LDKVUCXVVWWVTN-ZNMIVQPWSA-N 1 2 335.448 2.624 40 0 EFABLO C[C@@H](c1ccco1)N(C(=O)NCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000086362255 472281462 /nfs/dbraw/zinc/28/14/62/472281462.db2.gz LDKVUCXVVWWVTN-ZNMIVQPWSA-N 1 2 335.448 2.624 40 0 EFABLO CN1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)Cc2ccccc21 ZINC000069263031 472314043 /nfs/dbraw/zinc/31/40/43/472314043.db2.gz CQRPAXJUULOEAQ-UHFFFAOYSA-N 1 2 349.438 2.538 40 0 EFABLO O=C(/C=C/c1ccsc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000044869914 472345855 /nfs/dbraw/zinc/34/58/55/472345855.db2.gz DHGBAWXXDWXMHM-AATRIKPKSA-N 1 2 342.464 2.910 40 0 EFABLO COc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000030859232 472351653 /nfs/dbraw/zinc/35/16/53/472351653.db2.gz FWFCXUUSBMSDSD-UHFFFAOYSA-N 1 2 326.396 2.780 40 0 EFABLO CN(CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000044916943 472352421 /nfs/dbraw/zinc/35/24/21/472352421.db2.gz JBIFIAJSOCAIMR-UHFFFAOYSA-N 1 2 334.423 2.798 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@](C)(CO)C1CCCCC1 ZINC000088588430 472375004 /nfs/dbraw/zinc/37/50/04/472375004.db2.gz USKKGPQAXTXTTI-SFHVURJKSA-N 1 2 336.480 2.670 40 0 EFABLO O=C(c1cc(Cl)c[nH]1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000031952705 472404113 /nfs/dbraw/zinc/40/41/13/472404113.db2.gz XKYCJUOEWKINQB-UHFFFAOYSA-N 1 2 345.830 2.561 40 0 EFABLO Cc1cccn2cc(CCNC(=O)C[C@@H](O)c3cccc(F)c3)[nH+]c12 ZINC000089302065 472409446 /nfs/dbraw/zinc/40/94/46/472409446.db2.gz DYLDLZFOPFFPDP-QGZVFWFLSA-N 1 2 341.386 2.564 40 0 EFABLO CC(=O)c1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1C ZINC000089444519 472441230 /nfs/dbraw/zinc/44/12/30/472441230.db2.gz DXIAPKPNBFWYRG-INIZCTEOSA-N 1 2 338.411 2.993 40 0 EFABLO Cc1cccc(Cl)c1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000097095193 472443527 /nfs/dbraw/zinc/44/35/27/472443527.db2.gz AJXFLWGRVVYTCA-QWHCGFSZSA-N 1 2 325.840 2.879 40 0 EFABLO C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cccs1 ZINC000097096603 472444493 /nfs/dbraw/zinc/44/44/93/472444493.db2.gz OIELUMYJMBANKP-HNNXBMFYSA-N 1 2 344.484 2.774 40 0 EFABLO CCS[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000097096618 472445408 /nfs/dbraw/zinc/44/54/08/472445408.db2.gz ZWGUXDDNLDXXJQ-NVXWUHKLSA-N 1 2 348.516 2.583 40 0 EFABLO C[C@H](CN1CCC[N@H+](CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103881 472448988 /nfs/dbraw/zinc/44/89/88/472448988.db2.gz ACHHXTRQFJWOEW-OAHLLOKOSA-N 1 2 337.895 2.539 40 0 EFABLO C[C@H](CN1CCC[N@@H+](CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103881 472448991 /nfs/dbraw/zinc/44/89/91/472448991.db2.gz ACHHXTRQFJWOEW-OAHLLOKOSA-N 1 2 337.895 2.539 40 0 EFABLO CC[C@H](c1nnnn1CCC(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671641 472459446 /nfs/dbraw/zinc/45/94/46/472459446.db2.gz DQVRJKUBMJGGGZ-GOSISDBHSA-N 1 2 342.491 2.993 40 0 EFABLO CC(C)[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057670165 472459875 /nfs/dbraw/zinc/45/98/75/472459875.db2.gz KOGFEPQMAUZEHP-KRWDZBQOSA-N 1 2 346.454 2.912 40 0 EFABLO CCn1nnnc1-c1cccc(NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000097232217 472485020 /nfs/dbraw/zinc/48/50/20/472485020.db2.gz FAFDCNZYPAGVFN-UHFFFAOYSA-N 1 2 349.442 2.836 40 0 EFABLO FC(F)(F)C1CCC(Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000097379778 472494511 /nfs/dbraw/zinc/49/45/11/472494511.db2.gz UFGYPBBSLRRNFK-UHFFFAOYSA-N 1 2 346.397 2.748 40 0 EFABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N)[nH+]c2)cc1 ZINC000072212399 472633231 /nfs/dbraw/zinc/63/32/31/472633231.db2.gz BSMPSQGRQUJFQB-INIZCTEOSA-N 1 2 331.441 2.888 40 0 EFABLO CC[C@H](O)c1c[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000072222613 472634816 /nfs/dbraw/zinc/63/48/16/472634816.db2.gz MUNYDGCXOJOSAC-HNNXBMFYSA-N 1 2 335.448 2.891 40 0 EFABLO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccccc1F ZINC000047031891 472645284 /nfs/dbraw/zinc/64/52/84/472645284.db2.gz GYXNPGRBEQMBSM-AWEZNQCLSA-N 1 2 338.404 2.534 40 0 EFABLO O=C(c1cncc(Br)c1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120495275 472698927 /nfs/dbraw/zinc/69/89/27/472698927.db2.gz VWDTVVXZCDULNG-AWEZNQCLSA-N 1 2 348.200 2.533 40 0 EFABLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161657 472720205 /nfs/dbraw/zinc/72/02/05/472720205.db2.gz BRCNPISXZRHFHQ-KCXAZCMYSA-N 1 2 340.826 2.767 40 0 EFABLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091161657 472720211 /nfs/dbraw/zinc/72/02/11/472720211.db2.gz BRCNPISXZRHFHQ-KCXAZCMYSA-N 1 2 340.826 2.767 40 0 EFABLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000047569671 472732865 /nfs/dbraw/zinc/73/28/65/472732865.db2.gz GOEYPZCIMMXAFT-HRCADAONSA-N 1 2 347.459 2.548 40 0 EFABLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000047569671 472732870 /nfs/dbraw/zinc/73/28/70/472732870.db2.gz GOEYPZCIMMXAFT-HRCADAONSA-N 1 2 347.459 2.548 40 0 EFABLO C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078992676 472802295 /nfs/dbraw/zinc/80/22/95/472802295.db2.gz OTPIMKIAVVBNLL-GUYCJALGSA-N 1 2 339.395 2.975 40 0 EFABLO c1c[nH]c(C[N@@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)n1 ZINC000049169789 472934521 /nfs/dbraw/zinc/93/45/21/472934521.db2.gz BPJTUOCKJVQKCT-ZDUSSCGKSA-N 1 2 348.410 2.854 40 0 biogenic,in-vitro EFABLO c1c[nH]c(C[N@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)n1 ZINC000049169789 472934527 /nfs/dbraw/zinc/93/45/27/472934527.db2.gz BPJTUOCKJVQKCT-ZDUSSCGKSA-N 1 2 348.410 2.854 40 0 biogenic,in-vitro EFABLO CCCC[N@H+](C)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000074172432 472957190 /nfs/dbraw/zinc/95/71/90/472957190.db2.gz GFVGSKKNHDEDKE-UHFFFAOYSA-N 1 2 325.206 2.668 40 0 EFABLO CCCC[N@@H+](C)CN1c2ccc(Br)cc2C(=O)C1=O ZINC000074172432 472957198 /nfs/dbraw/zinc/95/71/98/472957198.db2.gz GFVGSKKNHDEDKE-UHFFFAOYSA-N 1 2 325.206 2.668 40 0 EFABLO Cc1nc(C2CC[NH+](Cc3nc([C@H](C)OCC(C)C)no3)CC2)no1 ZINC000074989856 473108898 /nfs/dbraw/zinc/10/88/98/473108898.db2.gz IHQYTYXFNWQNQU-LBPRGKRZSA-N 1 2 349.435 2.874 40 0 EFABLO CC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCO1 ZINC000123516083 473150108 /nfs/dbraw/zinc/15/01/08/473150108.db2.gz VRQLQLJIFAMMOD-NVXWUHKLSA-N 1 2 346.406 2.768 40 0 EFABLO C[N@H+](CCOC[C@@H]1CCCO1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000110617879 473166815 /nfs/dbraw/zinc/16/68/15/473166815.db2.gz CUGNSBKKYKETBI-ZWKOTPCHSA-N 1 2 345.418 2.833 40 0 EFABLO C[N@@H+](CCOC[C@@H]1CCCO1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000110617879 473166821 /nfs/dbraw/zinc/16/68/21/473166821.db2.gz CUGNSBKKYKETBI-ZWKOTPCHSA-N 1 2 345.418 2.833 40 0 EFABLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000110699624 473172877 /nfs/dbraw/zinc/17/28/77/473172877.db2.gz YUNVOJCDMSYTKT-VQIMIIECSA-N 1 2 346.377 2.775 40 0 EFABLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000110699624 473172883 /nfs/dbraw/zinc/17/28/83/473172883.db2.gz YUNVOJCDMSYTKT-VQIMIIECSA-N 1 2 346.377 2.775 40 0 EFABLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000095395144 473195320 /nfs/dbraw/zinc/19/53/20/473195320.db2.gz HXBZVLRCQWAQFI-WMZOPIPTSA-N 1 2 338.455 2.865 40 0 EFABLO C[C@@H](c1cccnc1)N1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000096424310 473402971 /nfs/dbraw/zinc/40/29/71/473402971.db2.gz ATRFTBDBEAFKDS-IFXJQAMLSA-N 1 2 347.409 2.772 40 0 EFABLO COc1ccc(Nc2nc(C(=O)NCc3[nH+]ccn3C)cs2)cc1 ZINC000096427205 473406142 /nfs/dbraw/zinc/40/61/42/473406142.db2.gz RRELWQLBVAFYCF-UHFFFAOYSA-N 1 2 343.412 2.559 40 0 EFABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cc4ccccc4o3)CC2)S1 ZINC000096426957 473406555 /nfs/dbraw/zinc/40/65/55/473406555.db2.gz DCSTVARVQUWALV-GFCCVEGCSA-N 1 2 329.425 2.682 40 0 EFABLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@H](c2ccccc2)CO1 ZINC000096433378 473411467 /nfs/dbraw/zinc/41/14/67/473411467.db2.gz PFUDVIIQIYTGNE-YJBOKZPZSA-N 1 2 348.406 2.870 40 0 EFABLO NC(=O)[C@@H]([NH2+]Cc1ccsc1)c1ccc(Br)cc1F ZINC000096436961 473416764 /nfs/dbraw/zinc/41/67/64/473416764.db2.gz SYHDKWHTDHEPFN-LBPRGKRZSA-N 1 2 343.221 2.966 40 0 EFABLO CS[C@H]1CC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000096439410 473417828 /nfs/dbraw/zinc/41/78/28/473417828.db2.gz ZESMLMCSAHXCHJ-CABCVRRESA-N 1 2 330.457 2.956 40 0 EFABLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000096441666 473419601 /nfs/dbraw/zinc/41/96/01/473419601.db2.gz ZDLFMXYNSGHYJZ-GFCCVEGCSA-N 1 2 342.871 2.871 40 0 EFABLO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000096441666 473419607 /nfs/dbraw/zinc/41/96/07/473419607.db2.gz ZDLFMXYNSGHYJZ-GFCCVEGCSA-N 1 2 342.871 2.871 40 0 EFABLO C[C@@H]1CC[C@@H](CCC(=O)Nc2ccccc2C[NH+]2CCOCC2)O1 ZINC000096441053 473420245 /nfs/dbraw/zinc/42/02/45/473420245.db2.gz OWQNZYHZPMNCEY-WBVHZDCISA-N 1 2 332.444 2.805 40 0 EFABLO O=C(Nc1ncc(Cl)s1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096449108 473426516 /nfs/dbraw/zinc/42/65/16/473426516.db2.gz OSXUIMYSNUNSGI-GFCCVEGCSA-N 1 2 337.832 2.636 40 0 EFABLO O=C(Nc1ncc(Cl)s1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096449108 473426524 /nfs/dbraw/zinc/42/65/24/473426524.db2.gz OSXUIMYSNUNSGI-GFCCVEGCSA-N 1 2 337.832 2.636 40 0 EFABLO NC(=O)c1ccccc1NCc1cn2cc(Br)ccc2[nH+]1 ZINC000096450105 473427759 /nfs/dbraw/zinc/42/77/59/473427759.db2.gz KKHCEHAMARMESN-UHFFFAOYSA-N 1 2 345.200 2.808 40 0 EFABLO CCc1cc(NCCCc2[nH+]c3ccccc3n2C)n2ncnc2n1 ZINC000096452893 473429119 /nfs/dbraw/zinc/42/91/19/473429119.db2.gz VHXNSFFBLVMYQU-UHFFFAOYSA-N 1 2 335.415 2.618 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)NCc1nnc(C(C)C)s1 ZINC000096461545 473433519 /nfs/dbraw/zinc/43/35/19/473433519.db2.gz OAXRSRXVXXBWNP-UHFFFAOYSA-N 1 2 336.465 2.513 40 0 EFABLO CS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000096462808 473434783 /nfs/dbraw/zinc/43/47/83/473434783.db2.gz DNZUUWSMEBWNBK-HUUCEWRRSA-N 1 2 345.472 2.693 40 0 EFABLO CN(Cc1[nH+]ccn1C)C(=O)CSc1nccc2ccccc21 ZINC000096476751 473439468 /nfs/dbraw/zinc/43/94/68/473439468.db2.gz HHAKHQCICQNVII-UHFFFAOYSA-N 1 2 326.425 2.719 40 0 EFABLO COCCN(C)c1ccc(NCc2c[nH]nc2-c2cccnc2)[nH+]c1 ZINC000096482423 473442280 /nfs/dbraw/zinc/44/22/80/473442280.db2.gz IMKKLZCRRLUHIO-UHFFFAOYSA-N 1 2 338.415 2.561 40 0 EFABLO Cc1noc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000096491759 473448105 /nfs/dbraw/zinc/44/81/05/473448105.db2.gz AVSCGKDIHSMAJO-LBPRGKRZSA-N 1 2 337.383 2.876 40 0 EFABLO C[C@@H]([NH2+]Cc1nc(-c2cccnc2)no1)c1ccc2c(c1)CCC(=O)N2 ZINC000096491053 473448233 /nfs/dbraw/zinc/44/82/33/473448233.db2.gz JJBCOVIVHDHNKW-GFCCVEGCSA-N 1 2 349.394 2.867 40 0 EFABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC[C@@H]2CCCO2)CC1 ZINC000096503132 473454702 /nfs/dbraw/zinc/45/47/02/473454702.db2.gz OLFWILKKRFOHRG-HOCLYGCPSA-N 1 2 337.489 2.705 40 0 EFABLO C[C@H](NCc1nc(C2CCCC2)no1)C1([NH+]2CCOCC2)CCCC1 ZINC000125929985 473472899 /nfs/dbraw/zinc/47/28/99/473472899.db2.gz XBCBTHMRFMBSFR-HNNXBMFYSA-N 1 2 348.491 2.850 40 0 EFABLO O=C(OCc1nc(C2CC2)cs1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000127442170 473613287 /nfs/dbraw/zinc/61/32/87/473613287.db2.gz FWIBHCHTMAOHPV-UHFFFAOYSA-N 1 2 326.381 2.958 40 0 EFABLO OC[C@@H]1CCCCN1c1cc(N2CCC[C@H](C(F)(F)F)C2)[nH+]cn1 ZINC000192265899 473659920 /nfs/dbraw/zinc/65/99/20/473659920.db2.gz PTLPWFKZTOMOGN-STQMWFEESA-N 1 2 344.381 2.607 40 0 EFABLO OC[C@@H]1CCCCN1c1cc(N2CCC[C@H](C(F)(F)F)C2)nc[nH+]1 ZINC000192265899 473659927 /nfs/dbraw/zinc/65/99/27/473659927.db2.gz PTLPWFKZTOMOGN-STQMWFEESA-N 1 2 344.381 2.607 40 0 EFABLO CCc1nnc([C@@H]2C[N@H+](CCSCc3ccccc3)CCO2)[nH]1 ZINC000192605040 473696142 /nfs/dbraw/zinc/69/61/42/473696142.db2.gz WNEGBTAEFSQHQI-HNNXBMFYSA-N 1 2 332.473 2.674 40 0 EFABLO CCc1nnc([C@@H]2C[N@@H+](CCSCc3ccccc3)CCO2)[nH]1 ZINC000192605040 473696145 /nfs/dbraw/zinc/69/61/45/473696145.db2.gz WNEGBTAEFSQHQI-HNNXBMFYSA-N 1 2 332.473 2.674 40 0 EFABLO COc1ccc2[nH+]c(C)cc(OCC(=O)NCc3ccco3)c2c1 ZINC000192976556 473754723 /nfs/dbraw/zinc/75/47/23/473754723.db2.gz CDWSXJJTLQSPCY-UHFFFAOYSA-N 1 2 326.352 2.840 40 0 EFABLO CCOC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000195530241 474090718 /nfs/dbraw/zinc/09/07/18/474090718.db2.gz CRXHSXSIBQCFOW-SWLSCSKDSA-N 1 2 334.243 2.764 40 0 EFABLO CCOC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000195530241 474090723 /nfs/dbraw/zinc/09/07/23/474090723.db2.gz CRXHSXSIBQCFOW-SWLSCSKDSA-N 1 2 334.243 2.764 40 0 EFABLO Cc1ccc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)c(C)c1 ZINC000224140976 474194644 /nfs/dbraw/zinc/19/46/44/474194644.db2.gz YGRFIEXONXGYJR-UHFFFAOYSA-N 1 2 328.420 2.869 40 0 EFABLO CC[C@H](C(=O)Nc1c[nH+]c(N(C)C)nc1N(C)C)c1ccccc1 ZINC000224350300 474197063 /nfs/dbraw/zinc/19/70/63/474197063.db2.gz PBNZWHCJPKITSS-AWEZNQCLSA-N 1 2 327.432 2.741 40 0 EFABLO Cc1[nH]nc(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000282804158 474200055 /nfs/dbraw/zinc/20/00/55/474200055.db2.gz OJJKFZPBMRIZBT-AWEZNQCLSA-N 1 2 327.432 2.579 40 0 EFABLO [NH3+]C[C@@H](c1cccc(Oc2ccccc2)c1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247707105 474202402 /nfs/dbraw/zinc/20/24/02/474202402.db2.gz FXNAGGPWQCQISF-QAPCUYQASA-N 1 2 326.396 2.885 40 0 EFABLO [NH3+]C[C@@H](c1cccc(Oc2ccccc2)c1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247707105 474202408 /nfs/dbraw/zinc/20/24/08/474202408.db2.gz FXNAGGPWQCQISF-QAPCUYQASA-N 1 2 326.396 2.885 40 0 EFABLO O=C(NC[C@H]1COc2ccccc2O1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225282584 474205498 /nfs/dbraw/zinc/20/54/98/474205498.db2.gz NNOOZBKKQQUKDK-KRWDZBQOSA-N 1 2 349.390 2.501 40 0 EFABLO COc1ccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000225455645 474212993 /nfs/dbraw/zinc/21/29/93/474212993.db2.gz RSBGZAURELAZLL-UHFFFAOYSA-N 1 2 339.424 2.763 40 0 EFABLO CCc1cnc(CN(C)c2cc(N3CCSCC3)[nH+]cn2)s1 ZINC000225480454 474216258 /nfs/dbraw/zinc/21/62/58/474216258.db2.gz NOWONITVCCVSPS-UHFFFAOYSA-N 1 2 335.502 2.685 40 0 EFABLO CCc1cnc(CN(C)c2cc(N3CCSCC3)nc[nH+]2)s1 ZINC000225480454 474216263 /nfs/dbraw/zinc/21/62/63/474216263.db2.gz NOWONITVCCVSPS-UHFFFAOYSA-N 1 2 335.502 2.685 40 0 EFABLO Fc1ccc([C@H]2CN(c3cc(N4CCCC4)[nH+]cn3)CCO2)c(F)c1 ZINC000225487746 474217370 /nfs/dbraw/zinc/21/73/70/474217370.db2.gz LDDQVXDMJRAEFV-MRXNPFEDSA-N 1 2 346.381 2.933 40 0 EFABLO Fc1ccc([C@H]2CN(c3cc(N4CCCC4)nc[nH+]3)CCO2)c(F)c1 ZINC000225487746 474217379 /nfs/dbraw/zinc/21/73/79/474217379.db2.gz LDDQVXDMJRAEFV-MRXNPFEDSA-N 1 2 346.381 2.933 40 0 EFABLO COc1cc(Cl)ccc1CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000225558982 474224099 /nfs/dbraw/zinc/22/40/99/474224099.db2.gz JAHYNSSJWLILRB-UHFFFAOYSA-N 1 2 346.805 2.942 40 0 EFABLO C[C@H](C[C@@H](O)c1cccs1)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000225562816 474225905 /nfs/dbraw/zinc/22/59/05/474225905.db2.gz LPTLAGMAHDNYNW-DGCLKSJQSA-N 1 2 346.443 2.653 40 0 EFABLO CCOC(=O)[C@@H]1CCCN(c2cc(C)[nH+]c(-c3cccc(N)c3)n2)C1 ZINC000226104479 474239988 /nfs/dbraw/zinc/23/99/88/474239988.db2.gz MAPLURWZOCXPDV-OAHLLOKOSA-N 1 2 340.427 2.814 40 0 EFABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CCO3)o1 ZINC000248080102 474256778 /nfs/dbraw/zinc/25/67/78/474256778.db2.gz IMYQKANKUOCGQQ-QGZVFWFLSA-N 1 2 328.412 2.933 40 0 EFABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CCO3)o1 ZINC000248080098 474257494 /nfs/dbraw/zinc/25/74/94/474257494.db2.gz IMYQKANKUOCGQQ-KRWDZBQOSA-N 1 2 328.412 2.933 40 0 EFABLO c1[nH+]cn2c1CN(Cc1ccc3c(c1)OCO3)C[C@H]2COCC1CC1 ZINC000248333395 474290598 /nfs/dbraw/zinc/29/05/98/474290598.db2.gz JYVCLHRJCQNBDY-KRWDZBQOSA-N 1 2 341.411 2.595 40 0 EFABLO CCc1nc2ccccc2n1C1CC[NH+]([C@H](C)c2nnnn2C)CC1 ZINC000189810330 474486554 /nfs/dbraw/zinc/48/65/54/474486554.db2.gz NXVZGBZKRVBWKT-CYBMUJFWSA-N 1 2 339.447 2.520 40 0 EFABLO O=C(NCc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000240002244 474547803 /nfs/dbraw/zinc/54/78/03/474547803.db2.gz PPZQJYOFUDWBAH-INIZCTEOSA-N 1 2 345.468 2.869 40 0 EFABLO O=C([C@H]1OCCc2ccccc21)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000244969151 474569171 /nfs/dbraw/zinc/56/91/71/474569171.db2.gz HBDUTDJVDPABDT-IBGZPJMESA-N 1 2 338.407 2.765 40 0 EFABLO COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCSCC2)cc1 ZINC000244983885 474569186 /nfs/dbraw/zinc/56/91/86/474569186.db2.gz IVEZFMFEYAXMAI-MRXNPFEDSA-N 1 2 346.452 2.808 40 0 EFABLO CCc1nc([C@H](C)[NH2+]CC(=O)N2CCc3ccccc3C2)cs1 ZINC000184701382 474589558 /nfs/dbraw/zinc/58/95/58/474589558.db2.gz XSSPEPOKBGGRBC-ZDUSSCGKSA-N 1 2 329.469 2.941 40 0 EFABLO OCCC[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000277777013 474595063 /nfs/dbraw/zinc/59/50/63/474595063.db2.gz LQWLYNHSGPBBFQ-INIZCTEOSA-N 1 2 344.484 2.956 40 0 EFABLO OCCC[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000277777013 474595067 /nfs/dbraw/zinc/59/50/67/474595067.db2.gz LQWLYNHSGPBBFQ-INIZCTEOSA-N 1 2 344.484 2.956 40 0 EFABLO Cn1c2cccc(F)c2nc1N1CCCN(c2cccc[nH+]2)CC1 ZINC000252481200 474668359 /nfs/dbraw/zinc/66/83/59/474668359.db2.gz CIJRFSHLLXRBQS-UHFFFAOYSA-N 1 2 325.391 2.824 40 0 EFABLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000253370022 474728706 /nfs/dbraw/zinc/72/87/06/474728706.db2.gz LCCNHMUEAYWTSH-OFQRWUPVSA-N 1 2 342.361 2.534 40 0 EFABLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000253370022 474728712 /nfs/dbraw/zinc/72/87/12/474728712.db2.gz LCCNHMUEAYWTSH-OFQRWUPVSA-N 1 2 342.361 2.534 40 0 EFABLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1Cc1nnc2n1CCOC2 ZINC000253417439 474745855 /nfs/dbraw/zinc/74/58/55/474745855.db2.gz OEEBTQPBLFASNZ-GDBMZVCRSA-N 1 2 342.443 2.790 40 0 EFABLO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1Cc1nnc2n1CCOC2 ZINC000253417439 474745859 /nfs/dbraw/zinc/74/58/59/474745859.db2.gz OEEBTQPBLFASNZ-GDBMZVCRSA-N 1 2 342.443 2.790 40 0 EFABLO Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000253430214 474754145 /nfs/dbraw/zinc/75/41/45/474754145.db2.gz KCBUBABMINCQHW-MRXNPFEDSA-N 1 2 333.819 2.686 40 0 EFABLO CC(C)c1nn(C)cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000253432586 474758141 /nfs/dbraw/zinc/75/81/41/474758141.db2.gz LMIPBUXSBAWGNG-ZFWWWQNUSA-N 1 2 330.436 2.855 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](Oc3ncccn3)C2)s1 ZINC000306128062 474806795 /nfs/dbraw/zinc/80/67/95/474806795.db2.gz GPBGJZKXVKOSJV-OAHLLOKOSA-N 1 2 341.440 2.506 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](Oc3ncccn3)C2)s1 ZINC000306128062 474806802 /nfs/dbraw/zinc/80/68/02/474806802.db2.gz GPBGJZKXVKOSJV-OAHLLOKOSA-N 1 2 341.440 2.506 40 0 EFABLO c1csc(CN2Cc3c[nH+]cn3[C@H](COCc3ccccn3)C2)n1 ZINC000306138665 474811999 /nfs/dbraw/zinc/81/19/99/474811999.db2.gz SDWFSAPOIPOTRE-INIZCTEOSA-N 1 2 341.440 2.508 40 0 EFABLO Cc1cc(-c2nccn2C)nc([C@@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000257282426 474929955 /nfs/dbraw/zinc/92/99/55/474929955.db2.gz OTTBPFOMRKHRAT-HNNXBMFYSA-N 1 2 335.415 2.625 40 0 EFABLO CC(C)c1ccc(C[N@@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)cc1 ZINC000257283727 474931515 /nfs/dbraw/zinc/93/15/15/474931515.db2.gz OZQGLRDOFNFFOH-INIZCTEOSA-N 1 2 347.484 2.926 40 0 EFABLO CC(C)c1ccc(C[N@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)cc1 ZINC000257283727 474931519 /nfs/dbraw/zinc/93/15/19/474931519.db2.gz OZQGLRDOFNFFOH-INIZCTEOSA-N 1 2 347.484 2.926 40 0 EFABLO COc1ccc2[nH]c(CN3CCOC[C@H]3c3[nH]cc(C)[nH+]3)cc2c1 ZINC000257287643 474933603 /nfs/dbraw/zinc/93/36/03/474933603.db2.gz PQXPXWAWHAGXFW-KRWDZBQOSA-N 1 2 326.400 2.782 40 0 EFABLO Cc1ccn(CCC(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)n1 ZINC000257292789 474936135 /nfs/dbraw/zinc/93/61/35/474936135.db2.gz QMYRMWOLSMISMD-QGZVFWFLSA-N 1 2 335.411 2.562 40 0 EFABLO CCn1nc(C(=O)N2CCC[C@@H](c3cc[nH+]c(NC)c3)C2)cc1C ZINC000257294553 474937300 /nfs/dbraw/zinc/93/73/00/474937300.db2.gz QURBKZQRIHPGKA-OAHLLOKOSA-N 1 2 327.432 2.668 40 0 EFABLO Cc1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000257300279 474940551 /nfs/dbraw/zinc/94/05/51/474940551.db2.gz RTSHFARXLMHSHQ-MRXNPFEDSA-N 1 2 347.484 2.576 40 0 EFABLO Cc1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000257300279 474940559 /nfs/dbraw/zinc/94/05/59/474940559.db2.gz RTSHFARXLMHSHQ-MRXNPFEDSA-N 1 2 347.484 2.576 40 0 EFABLO CN(C(=O)CCc1cccs1)[C@@H]1CCCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257301617 474943586 /nfs/dbraw/zinc/94/35/86/474943586.db2.gz RZDKHYARTAEOLN-JFIYKMOQSA-N 1 2 347.484 2.880 40 0 EFABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc[nH+]1 ZINC000257304072 474943603 /nfs/dbraw/zinc/94/36/03/474943603.db2.gz SJYFYXREIMTCAF-OAHLLOKOSA-N 1 2 339.395 2.854 40 0 EFABLO O=C(CCc1cccnc1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257313161 474947771 /nfs/dbraw/zinc/94/77/71/474947771.db2.gz URFZLLGAXODRAX-SFHVURJKSA-N 1 2 332.407 2.994 40 0 EFABLO Cc1ccnc([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257312407 474948267 /nfs/dbraw/zinc/94/82/67/474948267.db2.gz UNVCSQWFDYCWBG-CQSZACIVSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1ccnc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257312407 474948272 /nfs/dbraw/zinc/94/82/72/474948272.db2.gz UNVCSQWFDYCWBG-CQSZACIVSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1ccc(Nc2nccc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)nc1 ZINC000257317748 474951578 /nfs/dbraw/zinc/95/15/78/474951578.db2.gz VKYMLDHYEGZXQW-CQSZACIVSA-N 1 2 335.415 2.636 40 0 EFABLO Cc1ccc(Nc2nccc([C@@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)nc1 ZINC000257317748 474951587 /nfs/dbraw/zinc/95/15/87/474951587.db2.gz VKYMLDHYEGZXQW-CQSZACIVSA-N 1 2 335.415 2.636 40 0 EFABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)cc[nH+]1 ZINC000257324477 474955266 /nfs/dbraw/zinc/95/52/66/474955266.db2.gz WOVABBIVIUYHMD-CQSZACIVSA-N 1 2 346.818 2.879 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)cc[nH+]1 ZINC000257325301 474956028 /nfs/dbraw/zinc/95/60/28/474956028.db2.gz WSIMWDSVCBTTMV-HNNXBMFYSA-N 1 2 340.427 2.861 40 0 EFABLO Cc1nc(CC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)cs1 ZINC000257328746 474957196 /nfs/dbraw/zinc/95/71/96/474957196.db2.gz XGXMRKXACMRPQY-OAHLLOKOSA-N 1 2 330.457 2.819 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCn3ncc4ccccc43)C2)[nH+]1 ZINC000257333734 474959758 /nfs/dbraw/zinc/95/97/58/474959758.db2.gz YCVUNIYLZLKUKZ-MRXNPFEDSA-N 1 2 337.427 2.864 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1c1ccnc(C)n1 ZINC000257337635 474960575 /nfs/dbraw/zinc/96/05/75/474960575.db2.gz YTRLQQIBLQEVSZ-KRWDZBQOSA-N 1 2 335.411 2.807 40 0 EFABLO O=C(CC1CCOCC1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257336771 474961766 /nfs/dbraw/zinc/96/17/66/474961766.db2.gz YPYUTLNLUVRLMD-QGZVFWFLSA-N 1 2 325.412 2.783 40 0 EFABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2ncoc2C)c1 ZINC000257339870 474964015 /nfs/dbraw/zinc/96/40/15/474964015.db2.gz ZDNLMKWLTRYFNU-OAHLLOKOSA-N 1 2 338.367 2.585 40 0 EFABLO COc1ccc([C@@H]2C[N@H+](Cc3cccc(C)n3)CCN2C(C)=O)cc1 ZINC000257344347 474964971 /nfs/dbraw/zinc/96/49/71/474964971.db2.gz ZWVFKNXURVSHAD-FQEVSTJZSA-N 1 2 339.439 2.804 40 0 EFABLO COc1ccc([C@@H]2C[N@@H+](Cc3cccc(C)n3)CCN2C(C)=O)cc1 ZINC000257344347 474964978 /nfs/dbraw/zinc/96/49/78/474964978.db2.gz ZWVFKNXURVSHAD-FQEVSTJZSA-N 1 2 339.439 2.804 40 0 EFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2C ZINC000261364983 474973683 /nfs/dbraw/zinc/97/36/83/474973683.db2.gz PCRCZPHOJZLLAF-SNVBAGLBSA-O 1 2 331.421 2.524 40 0 EFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2C ZINC000261364982 474974295 /nfs/dbraw/zinc/97/42/95/474974295.db2.gz PCRCZPHOJZLLAF-JTQLQIEISA-O 1 2 331.421 2.524 40 0 EFABLO Cc1cccnc1C[N@@H+]1Cc2ccnn2CC[C@@H]1COc1ccccn1 ZINC000585096764 479281205 /nfs/dbraw/zinc/28/12/05/479281205.db2.gz CMCXBMNBFOMGLQ-GOSISDBHSA-N 1 2 349.438 2.835 40 0 EFABLO Cc1cccnc1C[N@H+]1Cc2ccnn2CC[C@@H]1COc1ccccn1 ZINC000585096764 479281210 /nfs/dbraw/zinc/28/12/10/479281210.db2.gz CMCXBMNBFOMGLQ-GOSISDBHSA-N 1 2 349.438 2.835 40 0 EFABLO O=C(c1ccncc1)N1Cc2c[nH+]cn2CC[C@H]1COc1ccccc1 ZINC000585097180 479281232 /nfs/dbraw/zinc/28/12/32/479281232.db2.gz IGVNIZDABDTPEK-KRWDZBQOSA-N 1 2 348.406 2.772 40 0 EFABLO C[C@@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1Cc1cccnc1 ZINC000585097213 479281447 /nfs/dbraw/zinc/28/14/47/479281447.db2.gz GNZKTQOMPOPQKQ-MRXNPFEDSA-N 1 2 349.438 2.871 40 0 EFABLO C[C@@H]1c2ncc(CCOc3ccccn3)n2CC[N@H+]1Cc1cccnc1 ZINC000585097213 479281453 /nfs/dbraw/zinc/28/14/53/479281453.db2.gz GNZKTQOMPOPQKQ-MRXNPFEDSA-N 1 2 349.438 2.871 40 0 EFABLO C[C@@H]1c2ncc(CCOc3ccccn3)n2CC[N@@H+]1Cc1cccnc1 ZINC000585097213 479281461 /nfs/dbraw/zinc/28/14/61/479281461.db2.gz GNZKTQOMPOPQKQ-MRXNPFEDSA-N 1 2 349.438 2.871 40 0 EFABLO O=C(NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)C1CCC1 ZINC000585112822 479288613 /nfs/dbraw/zinc/28/86/13/479288613.db2.gz XAVCIHKYWDFIJT-INIZCTEOSA-N 1 2 344.484 2.808 40 0 EFABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)C1CCC1 ZINC000585112822 479288618 /nfs/dbraw/zinc/28/86/18/479288618.db2.gz XAVCIHKYWDFIJT-INIZCTEOSA-N 1 2 344.484 2.808 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)C(C)C)C2)cc1 ZINC000585112253 479288762 /nfs/dbraw/zinc/28/87/62/479288762.db2.gz LXRBPRPGIAASEN-GOSISDBHSA-N 1 2 340.471 2.911 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)C(C)C)C2)cc1 ZINC000585112253 479288771 /nfs/dbraw/zinc/28/87/71/479288771.db2.gz LXRBPRPGIAASEN-GOSISDBHSA-N 1 2 340.471 2.911 40 0 EFABLO CC(C)C(=O)NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112899 479288896 /nfs/dbraw/zinc/28/88/96/479288896.db2.gz XZKUASROTLRJLQ-AWEZNQCLSA-N 1 2 332.473 2.664 40 0 EFABLO CC(C)C(=O)NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112899 479288903 /nfs/dbraw/zinc/28/89/03/479288903.db2.gz XZKUASROTLRJLQ-AWEZNQCLSA-N 1 2 332.473 2.664 40 0 EFABLO CC(C)CN1CCN(C(=O)c2ccnc(F)c2)Cc2ccc[nH+]c21 ZINC000585113275 479289667 /nfs/dbraw/zinc/28/96/67/479289667.db2.gz AMDWCJCJLXYCGS-UHFFFAOYSA-N 1 2 328.391 2.734 40 0 EFABLO O=C(CC1CC1)NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111991 479289677 /nfs/dbraw/zinc/28/96/77/479289677.db2.gz GMGHCXMNDUXRMS-SFHVURJKSA-N 1 2 338.455 2.746 40 0 EFABLO O=C(CC1CC1)NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111991 479289679 /nfs/dbraw/zinc/28/96/79/479289679.db2.gz GMGHCXMNDUXRMS-SFHVURJKSA-N 1 2 338.455 2.746 40 0 EFABLO CCCCOc1ncccc1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000585141445 479298917 /nfs/dbraw/zinc/29/89/17/479298917.db2.gz UUPDETHZLWERSL-UHFFFAOYSA-N 1 2 330.432 2.817 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc3cc(F)ccc3n2C)[nH+]1 ZINC000585181459 479301732 /nfs/dbraw/zinc/30/17/32/479301732.db2.gz PRGNMZFGMCGCAU-MRXNPFEDSA-N 1 2 342.374 2.563 40 0 EFABLO CN(C(=O)CC1(O)CCCCC1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000585182307 479302621 /nfs/dbraw/zinc/30/26/21/479302621.db2.gz PCNFWXIENDTQCF-INIZCTEOSA-N 1 2 331.460 2.594 40 0 EFABLO CO[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1Cc1ccc(C)cc1 ZINC000585288692 479309518 /nfs/dbraw/zinc/30/95/18/479309518.db2.gz HTVDBLQAQXDNEG-KRZVHVFCSA-N 1 2 339.439 2.838 40 0 EFABLO CO[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1Cc1cccc(C)c1 ZINC000585288673 479309567 /nfs/dbraw/zinc/30/95/67/479309567.db2.gz HFPHYXHIRUSCDA-JISXSJDESA-N 1 2 339.439 2.838 40 0 EFABLO CSc1ncccc1C(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575604658 479449358 /nfs/dbraw/zinc/44/93/58/479449358.db2.gz BWJVOYOALYFBAH-CQSZACIVSA-N 1 2 329.425 2.882 40 0 EFABLO COC(=O)c1ccccc1CC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000187014966 534289807 /nfs/dbraw/zinc/28/98/07/534289807.db2.gz GKKPCGMWGYJWCB-OAHLLOKOSA-N 1 2 332.425 2.546 40 0 EFABLO COC(=O)c1ccccc1CC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000187014966 534289808 /nfs/dbraw/zinc/28/98/08/534289808.db2.gz GKKPCGMWGYJWCB-OAHLLOKOSA-N 1 2 332.425 2.546 40 0 EFABLO Fc1ccc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)cc1Br ZINC000187520546 534490482 /nfs/dbraw/zinc/49/04/82/534490482.db2.gz GRKJHPCKZZPJJF-AWEZNQCLSA-N 1 2 340.196 2.885 40 0 EFABLO Fc1ccc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)cc1Br ZINC000187520546 534490490 /nfs/dbraw/zinc/49/04/90/534490490.db2.gz GRKJHPCKZZPJJF-AWEZNQCLSA-N 1 2 340.196 2.885 40 0 EFABLO CCS[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000097096615 521727931 /nfs/dbraw/zinc/72/79/31/521727931.db2.gz ZWGUXDDNLDXXJQ-DOTOQJQBSA-N 1 2 348.516 2.583 40 0 EFABLO CCCc1nnsc1C(=O)N1CCC[C@@H]1c1cc[nH+]c(NC)c1 ZINC000257264343 535552442 /nfs/dbraw/zinc/55/24/42/535552442.db2.gz LTZHUFNOPPYSHJ-CYBMUJFWSA-N 1 2 331.445 2.905 40 0 EFABLO CCc1nnsc1C(=O)N1CCC[C@H](c2cc[nH+]c(NC)c2)C1 ZINC000257277739 535865061 /nfs/dbraw/zinc/86/50/61/535865061.db2.gz NZDXLKGIDPVOAQ-LBPRGKRZSA-N 1 2 331.445 2.557 40 0 EFABLO CC[C@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000225726082 535893080 /nfs/dbraw/zinc/89/30/80/535893080.db2.gz SQRQKXCVTYNXRE-HNNXBMFYSA-N 1 2 349.481 2.923 40 0 EFABLO CN(C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 ZINC000054530429 535989883 /nfs/dbraw/zinc/98/98/83/535989883.db2.gz NWKYYRIPOCYIKP-UHFFFAOYSA-N 1 2 333.451 2.739 40 0 EFABLO COc1ccc([C@H]2CN(C(=O)c3sc(C)nc3C)CC[N@@H+]2C)cc1 ZINC000257273454 536944278 /nfs/dbraw/zinc/94/42/78/536944278.db2.gz NGQAVIBZNPQAKF-MRXNPFEDSA-N 1 2 345.468 2.897 40 0 EFABLO COc1ccc([C@H]2CN(C(=O)c3sc(C)nc3C)CC[N@H+]2C)cc1 ZINC000257273454 536944282 /nfs/dbraw/zinc/94/42/82/536944282.db2.gz NGQAVIBZNPQAKF-MRXNPFEDSA-N 1 2 345.468 2.897 40 0 EFABLO COc1ccccc1[C@@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1ccno1 ZINC000257210092 537105687 /nfs/dbraw/zinc/10/56/87/537105687.db2.gz BTCULNWOZYRAFB-AWEZNQCLSA-N 1 2 338.367 2.585 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)n1 ZINC000097953709 219064876 /nfs/dbraw/zinc/06/48/76/219064876.db2.gz CKYDYUFPEUNXNF-IPMKNSEASA-N 1 2 325.412 2.596 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)n1 ZINC000097953709 219064878 /nfs/dbraw/zinc/06/48/78/219064878.db2.gz CKYDYUFPEUNXNF-IPMKNSEASA-N 1 2 325.412 2.596 40 0 EFABLO Cc1csc(NC(=O)C[NH+]2CCC(c3nnc(C4CC4)o3)CC2)n1 ZINC000049377559 214003678 /nfs/dbraw/zinc/00/36/78/214003678.db2.gz UGTKVSWGVCIXIC-UHFFFAOYSA-N 1 2 347.444 2.530 40 0 EFABLO CCN(CC(=O)Nc1ccccc1OC)Cc1cn2ccccc2[nH+]1 ZINC000039990577 213249430 /nfs/dbraw/zinc/24/94/30/213249430.db2.gz NEDVLCXJUBBKOA-UHFFFAOYSA-N 1 2 338.411 2.804 40 0 EFABLO Fc1cccc(F)c1[C@@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000225486547 283016311 /nfs/dbraw/zinc/01/63/11/283016311.db2.gz PNZFHNQOPZPQDP-CYBMUJFWSA-N 1 2 346.381 2.585 40 0 EFABLO Fc1cccc(F)c1[C@@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000225486547 283016313 /nfs/dbraw/zinc/01/63/13/283016313.db2.gz PNZFHNQOPZPQDP-CYBMUJFWSA-N 1 2 346.381 2.585 40 0 EFABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1coc2cc(C)c(C)cc12 ZINC000036741466 213115574 /nfs/dbraw/zinc/11/55/74/213115574.db2.gz BGKFJJANDXZTMR-KRWDZBQOSA-N 1 2 344.455 2.819 40 0 EFABLO [NH3+]C[C@H](c1cccc(Oc2ccccc2)c1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622917 213043152 /nfs/dbraw/zinc/04/31/52/213043152.db2.gz FXNAGGPWQCQISF-MAUKXSAKSA-N 1 2 326.396 2.885 40 0 EFABLO [NH3+]C[C@H](c1cccc(Oc2ccccc2)c1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622917 213043155 /nfs/dbraw/zinc/04/31/55/213043155.db2.gz FXNAGGPWQCQISF-MAUKXSAKSA-N 1 2 326.396 2.885 40 0 EFABLO [NH3+]C[C@@H](c1ccc(OCc2ccccc2)cc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622930 213042232 /nfs/dbraw/zinc/04/22/32/213042232.db2.gz RLESGJVQEIMGDD-HKUYNNGSSA-N 1 2 340.423 2.672 40 0 EFABLO [NH3+]C[C@@H](c1ccc(OCc2ccccc2)cc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622930 213042234 /nfs/dbraw/zinc/04/22/34/213042234.db2.gz RLESGJVQEIMGDD-HKUYNNGSSA-N 1 2 340.423 2.672 40 0 EFABLO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccncc3)n2)cn1 ZINC000035426159 213027164 /nfs/dbraw/zinc/02/71/64/213027164.db2.gz PYWXOYDRLZUSQA-HNNXBMFYSA-N 1 2 336.399 2.905 40 0 biogenic,in-vitro EFABLO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccncc3)n2)cn1 ZINC000035426159 213027168 /nfs/dbraw/zinc/02/71/68/213027168.db2.gz PYWXOYDRLZUSQA-HNNXBMFYSA-N 1 2 336.399 2.905 40 0 biogenic,in-vitro EFABLO O=C(NCCCn1cc[nH+]c1)c1nnsc1-c1ccc(Cl)cc1 ZINC000072242923 216082334 /nfs/dbraw/zinc/08/23/34/216082334.db2.gz WHCCFYWDUFZZFT-UHFFFAOYSA-N 1 2 347.831 2.875 40 0 EFABLO Cc1ccc(C[N@H+]2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)o1 ZINC000072335597 216157086 /nfs/dbraw/zinc/15/70/86/216157086.db2.gz NPFGYBTZONWDTH-ZDUSSCGKSA-N 1 2 342.443 2.608 40 0 EFABLO Cc1ccc(C[N@@H+]2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)o1 ZINC000072335597 216157090 /nfs/dbraw/zinc/15/70/90/216157090.db2.gz NPFGYBTZONWDTH-ZDUSSCGKSA-N 1 2 342.443 2.608 40 0 EFABLO Cc1ccc(C[N@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)o1 ZINC000072335609 216158141 /nfs/dbraw/zinc/15/81/41/216158141.db2.gz VSHYAPIAIWWUAM-ZDUSSCGKSA-N 1 2 342.443 2.878 40 0 EFABLO Cc1ccc(C[N@@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)o1 ZINC000072335609 216158143 /nfs/dbraw/zinc/15/81/43/216158143.db2.gz VSHYAPIAIWWUAM-ZDUSSCGKSA-N 1 2 342.443 2.878 40 0 EFABLO CCCn1c(C[N@@H+]2CCc3c(=O)[nH]c(C)nc3C2)nc2ccccc21 ZINC000072347443 216160954 /nfs/dbraw/zinc/16/09/54/216160954.db2.gz PYQAOCSIAVWSOS-UHFFFAOYSA-N 1 2 337.427 2.809 40 0 EFABLO CCCn1c(C[N@H+]2CCc3c(=O)[nH]c(C)nc3C2)nc2ccccc21 ZINC000072347443 216160959 /nfs/dbraw/zinc/16/09/59/216160959.db2.gz PYQAOCSIAVWSOS-UHFFFAOYSA-N 1 2 337.427 2.809 40 0 EFABLO Cc1cc(Nc2ncccc2C)nc([C@H]2CC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382595 216183042 /nfs/dbraw/zinc/18/30/42/216183042.db2.gz PIEYCHOVPAUGHX-HNNXBMFYSA-N 1 2 349.442 2.945 40 0 EFABLO Cc1cc(Nc2ncccc2C)nc([C@H]2CC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000072382595 216183045 /nfs/dbraw/zinc/18/30/45/216183045.db2.gz PIEYCHOVPAUGHX-HNNXBMFYSA-N 1 2 349.442 2.945 40 0 EFABLO Cc1cc(N2CCC[C@H]2c2cc(Nc3ncccn3)nc(C)n2)nc[nH+]1 ZINC000072382763 216183334 /nfs/dbraw/zinc/18/33/34/216183334.db2.gz MFZWZKIFJWNYSN-HNNXBMFYSA-N 1 2 348.414 2.759 40 0 EFABLO O=C(COc1cccc(-n2cc[nH+]c2)c1)N1CCC(c2ccccc2)=N1 ZINC000072674348 216290494 /nfs/dbraw/zinc/29/04/94/216290494.db2.gz NIESEKJMNCRQBL-UHFFFAOYSA-N 1 2 346.390 2.888 40 0 EFABLO Cc1nc(C(C)(C)[NH2+]Cc2cc(=O)n3ccccc3n2)sc1C ZINC000072866286 216322460 /nfs/dbraw/zinc/32/24/60/216322460.db2.gz ATLUEZYYWNCUDT-UHFFFAOYSA-N 1 2 328.441 2.793 40 0 EFABLO CC(=O)c1c(C)[nH]c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c1C ZINC000023607796 212385124 /nfs/dbraw/zinc/38/51/24/212385124.db2.gz XEQOTBWJGXGTHG-UHFFFAOYSA-N 1 2 332.429 2.531 40 0 EFABLO CC(=O)c1c(C)[nH]c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c1C ZINC000023607796 212385130 /nfs/dbraw/zinc/38/51/30/212385130.db2.gz XEQOTBWJGXGTHG-UHFFFAOYSA-N 1 2 332.429 2.531 40 0 EFABLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3cccnc3)CC2)cc1F ZINC000023174647 212358632 /nfs/dbraw/zinc/35/86/32/212358632.db2.gz LZMDNWPOTVBJCM-UHFFFAOYSA-N 1 2 342.418 2.557 40 0 EFABLO Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000022915224 212334965 /nfs/dbraw/zinc/33/49/65/212334965.db2.gz MARSQLRDYMRJIC-UHFFFAOYSA-N 1 2 329.469 2.813 40 0 EFABLO COc1ccccc1NC(=O)CN1CC[NH+](Cc2ccsc2)CC1 ZINC000022915457 212334907 /nfs/dbraw/zinc/33/49/07/212334907.db2.gz LWPNMOVNTFDCHC-UHFFFAOYSA-N 1 2 345.468 2.513 40 0 EFABLO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc1F ZINC000022914710 212334384 /nfs/dbraw/zinc/33/43/84/212334384.db2.gz GRVVDEANMMFEBG-UHFFFAOYSA-N 1 2 347.459 2.952 40 0 EFABLO CC(C)[C@@](C)([NH2+]Cc1nnn(C)n1)c1ccc(Br)cc1 ZINC000193493071 240187899 /nfs/dbraw/zinc/18/78/99/240187899.db2.gz NTXDDEAXZYATAR-CQSZACIVSA-N 1 2 338.253 2.634 40 0 EFABLO CC(C)[C@](C)([NH2+]Cc1nnn(C)n1)c1ccc(Br)cc1 ZINC000193493060 240186911 /nfs/dbraw/zinc/18/69/11/240186911.db2.gz NTXDDEAXZYATAR-AWEZNQCLSA-N 1 2 338.253 2.634 40 0 EFABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccccn2)[C@H](C)C1 ZINC000252499620 240307758 /nfs/dbraw/zinc/30/77/58/240307758.db2.gz SCWBTURTVQZUQB-MRXNPFEDSA-N 1 2 339.439 2.827 40 0 EFABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccccn2)[C@H](C)C1 ZINC000252499620 240307764 /nfs/dbraw/zinc/30/77/64/240307764.db2.gz SCWBTURTVQZUQB-MRXNPFEDSA-N 1 2 339.439 2.827 40 0 EFABLO Nc1cc(-c2cncnc2[C@H]2CCN(C(=O)c3ccccc3)C2)cc[nH+]1 ZINC000257339347 240314159 /nfs/dbraw/zinc/31/41/59/240314159.db2.gz ZBIIKDHMPYFFPG-INIZCTEOSA-N 1 2 345.406 2.751 40 0 EFABLO Cc1nc(C(C)C)ncc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225791281 242038719 /nfs/dbraw/zinc/03/87/19/242038719.db2.gz JHYFXQBUVGMROD-UHFFFAOYSA-N 1 2 338.455 2.866 40 0 EFABLO COc1cccc(-c2noc(CNC(=S)Nc3cc[nH+]cc3)n2)c1 ZINC000225823239 242053448 /nfs/dbraw/zinc/05/34/48/242053448.db2.gz ACPKEACWPUZYCX-UHFFFAOYSA-N 1 2 341.396 2.627 40 0 EFABLO O=C(c1cnn(-c2ccccc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005423 212199735 /nfs/dbraw/zinc/19/97/35/212199735.db2.gz HPSVODITGOTBBE-UHFFFAOYSA-N 1 2 346.434 2.830 40 0 EFABLO COc1ccc(S[C@H](C)C(=O)NCCCn2cc[nH+]c2)cc1OC ZINC000020488627 212138798 /nfs/dbraw/zinc/13/87/98/212138798.db2.gz WCAYYIRIRRRUHS-CYBMUJFWSA-N 1 2 349.456 2.587 40 0 EFABLO c1csc(C[N@H+]2Cc3ccnn3C[C@@H](OCc3ccccn3)C2)c1 ZINC000253588815 244029409 /nfs/dbraw/zinc/02/94/09/244029409.db2.gz UBIBNJPQZFBXRL-KRWDZBQOSA-N 1 2 340.452 2.941 40 0 EFABLO c1csc(C[N@@H+]2Cc3ccnn3C[C@@H](OCc3ccccn3)C2)c1 ZINC000253588815 244029412 /nfs/dbraw/zinc/02/94/12/244029412.db2.gz UBIBNJPQZFBXRL-KRWDZBQOSA-N 1 2 340.452 2.941 40 0 EFABLO c1csc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)n1 ZINC000253596458 244030533 /nfs/dbraw/zinc/03/05/33/244030533.db2.gz RMFXZVVPINCOKS-CQSZACIVSA-N 1 2 333.482 2.815 40 0 EFABLO Cc1ccsc1CN1Cc2c[nH+]cn2[C@H](CNC(=O)CC2CC2)C1 ZINC000253598506 244032597 /nfs/dbraw/zinc/03/25/97/244032597.db2.gz CNJSORRTAGIKPT-MRXNPFEDSA-N 1 2 344.484 2.726 40 0 EFABLO c1csc(C[NH+]2CC3(C2)C[C@H](OCc2ccncc2)CS3)n1 ZINC000253596291 244032976 /nfs/dbraw/zinc/03/29/76/244032976.db2.gz PLUXXBPMSFABLK-AWEZNQCLSA-N 1 2 333.482 2.815 40 0 EFABLO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNc2ncc(C)cn2)o1 ZINC000253600273 244035731 /nfs/dbraw/zinc/03/57/31/244035731.db2.gz ITDLLUKTSVRGFZ-INIZCTEOSA-N 1 2 342.443 2.780 40 0 EFABLO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2csc(C)n2)ccn1 ZINC000257210989 244149013 /nfs/dbraw/zinc/14/90/13/244149013.db2.gz BWZVHVYPDJXLHL-KRWDZBQOSA-N 1 2 330.457 2.820 40 0 EFABLO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2csc(C)n2)ccn1 ZINC000257210989 244149017 /nfs/dbraw/zinc/14/90/17/244149017.db2.gz BWZVHVYPDJXLHL-KRWDZBQOSA-N 1 2 330.457 2.820 40 0 EFABLO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2csc(C)n2)ccn1 ZINC000257210990 244150976 /nfs/dbraw/zinc/15/09/76/244150976.db2.gz BWZVHVYPDJXLHL-QGZVFWFLSA-N 1 2 330.457 2.820 40 0 EFABLO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2csc(C)n2)ccn1 ZINC000257210990 244150979 /nfs/dbraw/zinc/15/09/79/244150979.db2.gz BWZVHVYPDJXLHL-QGZVFWFLSA-N 1 2 330.457 2.820 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)C(C)(C)c2ccc(F)cc2)[nH+]1 ZINC000257212244 244152283 /nfs/dbraw/zinc/15/22/83/244152283.db2.gz CCMVNPAHCDPKOB-HNNXBMFYSA-N 1 2 331.391 2.735 40 0 EFABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)CCc1ccnn1C)C2 ZINC000257211680 244152393 /nfs/dbraw/zinc/15/23/93/244152393.db2.gz BZXHTKVDNAKQRN-GOSISDBHSA-N 1 2 349.438 2.641 40 0 EFABLO Cc1cc(N2CCC[C@](C)(C(=O)NCCc3ccccc3)C2)nc[nH+]1 ZINC000257212719 244157655 /nfs/dbraw/zinc/15/76/55/244157655.db2.gz CERCCOXCXDUOSE-FQEVSTJZSA-N 1 2 338.455 2.750 40 0 EFABLO Cc1cccc2nc(C(=O)N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cn21 ZINC000257227992 244207152 /nfs/dbraw/zinc/20/71/52/244207152.db2.gz FRXFLQKQQGYZAL-GOSISDBHSA-N 1 2 334.423 2.772 40 0 EFABLO Cc1cccc2nc(C(=O)N3CC[N@H+](C)[C@@H](c4ccccc4)C3)cn21 ZINC000257227992 244207155 /nfs/dbraw/zinc/20/71/55/244207155.db2.gz FRXFLQKQQGYZAL-GOSISDBHSA-N 1 2 334.423 2.772 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)cc[nH+]1 ZINC000257230172 244210011 /nfs/dbraw/zinc/21/00/11/244210011.db2.gz GBDSEEZSTCLLQX-LBPRGKRZSA-N 1 2 346.818 2.897 40 0 EFABLO Cc1nc(N2CCC[C@@](C)(C(=O)NCc3cccc(F)c3)C2)cc[nH+]1 ZINC000257231160 244212296 /nfs/dbraw/zinc/21/22/96/244212296.db2.gz GFOQIMYSXLRVPV-LJQANCHMSA-N 1 2 342.418 2.847 40 0 EFABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2ncoc2C)cc1 ZINC000257232590 244216292 /nfs/dbraw/zinc/21/62/92/244216292.db2.gz GLNSYBUCRLUXBR-OAHLLOKOSA-N 1 2 338.367 2.585 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccnn3C(C)C)C2)cc[nH+]1 ZINC000257243962 244249936 /nfs/dbraw/zinc/24/99/36/244249936.db2.gz IJHLAKCPLAVAMG-OAHLLOKOSA-N 1 2 327.432 2.921 40 0 EFABLO NC(=O)[C@]1(CCCc2ccccn2)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000257243946 244250052 /nfs/dbraw/zinc/25/00/52/244250052.db2.gz IJGLCSBSKGKIAP-IBGZPJMESA-N 1 2 345.393 2.813 40 0 EFABLO NC(=O)[C@]1(CCCc2ccccn2)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000257243946 244250055 /nfs/dbraw/zinc/25/00/55/244250055.db2.gz IJGLCSBSKGKIAP-IBGZPJMESA-N 1 2 345.393 2.813 40 0 EFABLO COc1cc(CCC(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)on1 ZINC000257231869 244217683 /nfs/dbraw/zinc/21/76/83/244217683.db2.gz GIMGMDVLRCHHMF-UHFFFAOYSA-N 1 2 343.427 2.801 40 0 EFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc(N4CCCC4)cc3)C2)[nH+]1 ZINC000257241513 244244219 /nfs/dbraw/zinc/24/42/19/244244219.db2.gz HYHFEPRNOCYOFZ-QGZVFWFLSA-N 1 2 338.455 2.958 40 0 EFABLO CC(=O)c1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000020109145 212102364 /nfs/dbraw/zinc/10/23/64/212102364.db2.gz VAJMWZKCVCHXPY-UHFFFAOYSA-N 1 2 338.407 2.974 40 0 EFABLO COc1ccccc1OCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020108667 212102422 /nfs/dbraw/zinc/10/24/22/212102422.db2.gz MWIIQRXXTWTIEW-UHFFFAOYSA-N 1 2 337.379 2.576 40 0 EFABLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C)cn3)C2)cc1 ZINC000257250559 244267854 /nfs/dbraw/zinc/26/78/54/244267854.db2.gz JMZYFPQEQPBUKD-IBGZPJMESA-N 1 2 325.412 2.922 40 0 EFABLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@H](c3ccc(C)cn3)C2)cc1 ZINC000257250559 244267856 /nfs/dbraw/zinc/26/78/56/244267856.db2.gz JMZYFPQEQPBUKD-IBGZPJMESA-N 1 2 325.412 2.922 40 0 EFABLO Cc1cccc(Nc2ccc([C@H]3CN(c4ncccn4)CCO3)nc2)[nH+]1 ZINC000257266223 244360921 /nfs/dbraw/zinc/36/09/21/244360921.db2.gz MCASCTLLHHTRKC-QGZVFWFLSA-N 1 2 348.410 2.897 40 0 EFABLO CN(C)c1cc([C@H]2CCCN2C(=O)COc2ccccc2)cc[nH+]1 ZINC000257267731 244367336 /nfs/dbraw/zinc/36/73/36/244367336.db2.gz MIOHBYSGBZBYCB-QGZVFWFLSA-N 1 2 325.412 2.890 40 0 EFABLO CCOc1ccc(CCC(=O)NCCCn2cc[nH+]c2)cc1OCC ZINC000020040096 212096205 /nfs/dbraw/zinc/09/62/05/212096205.db2.gz IWJNACNTUYWQSD-UHFFFAOYSA-N 1 2 345.443 2.820 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)[nH+]1 ZINC000257273180 244382523 /nfs/dbraw/zinc/38/25/23/244382523.db2.gz NFOGXLJZVVSLIH-AWEZNQCLSA-N 1 2 325.478 2.570 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(CC(C)C)no3)C2)[nH+]1 ZINC000257274886 244389551 /nfs/dbraw/zinc/38/95/51/244389551.db2.gz NNAVFLXFFOCOSP-CQSZACIVSA-N 1 2 330.432 2.935 40 0 EFABLO CC(C)CNC(=O)c1cc([C@@H]2C[N@H+](C)CCO2)nc2ccccc21 ZINC000019759601 212062230 /nfs/dbraw/zinc/06/22/30/212062230.db2.gz FFPWMTULLJDORM-SFHVURJKSA-N 1 2 327.428 2.624 40 0 EFABLO CC(C)CNC(=O)c1cc([C@@H]2C[N@@H+](C)CCO2)nc2ccccc21 ZINC000019759601 212062232 /nfs/dbraw/zinc/06/22/32/212062232.db2.gz FFPWMTULLJDORM-SFHVURJKSA-N 1 2 327.428 2.624 40 0 EFABLO C[C@@H]1Cc2cc(-c3c[nH+]cn3CC(=O)NC(C)(C)C)ccc2N1C ZINC000019719455 212056657 /nfs/dbraw/zinc/05/66/57/212056657.db2.gz UADCTWYCLXYCGJ-CYBMUJFWSA-N 1 2 326.444 2.846 40 0 EFABLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cn(C)nc1C ZINC000019658828 212053887 /nfs/dbraw/zinc/05/38/87/212053887.db2.gz JGMWKWGYWJYKDP-MRXNPFEDSA-N 1 2 328.416 2.513 40 0 EFABLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cn(C)nc1C ZINC000019658828 212053889 /nfs/dbraw/zinc/05/38/89/212053889.db2.gz JGMWKWGYWJYKDP-MRXNPFEDSA-N 1 2 328.416 2.513 40 0 EFABLO CS(=O)(=O)c1cccnc1[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000019573597 212046139 /nfs/dbraw/zinc/04/61/39/212046139.db2.gz XJDXOTIHIHHXCX-AWEZNQCLSA-N 1 2 336.482 2.926 40 0 EFABLO CS(=O)(=O)c1cccnc1[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000019573597 212046142 /nfs/dbraw/zinc/04/61/42/212046142.db2.gz XJDXOTIHIHHXCX-AWEZNQCLSA-N 1 2 336.482 2.926 40 0 EFABLO COc1ccccc1CC(=O)N1CC[N@H+](Cc2ccco2)C[C@@H]1C ZINC000019575594 212045481 /nfs/dbraw/zinc/04/54/81/212045481.db2.gz VCKYBLFWDPAQDR-HNNXBMFYSA-N 1 2 328.412 2.564 40 0 EFABLO COc1ccccc1CC(=O)N1CC[N@@H+](Cc2ccco2)C[C@@H]1C ZINC000019575594 212045485 /nfs/dbraw/zinc/04/54/85/212045485.db2.gz VCKYBLFWDPAQDR-HNNXBMFYSA-N 1 2 328.412 2.564 40 0 EFABLO Cc1nnc(C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)s1 ZINC000049365607 214002568 /nfs/dbraw/zinc/00/25/68/214002568.db2.gz TWZKNFMDAQVTKA-UHFFFAOYSA-N 1 2 334.420 2.804 40 0 EFABLO Cc1csc2c([C@H]3CCCN(C(=O)c4ccnn4C)C3)[nH+]c(C)n12 ZINC000019240447 212008863 /nfs/dbraw/zinc/00/88/63/212008863.db2.gz WAXCIZRWRZSTCL-ZDUSSCGKSA-N 1 2 343.456 2.766 40 0 EFABLO Cc1csc2c([C@H]3CCCN(C(=O)c4cncnc4)C3)[nH+]c(C)n12 ZINC000019240456 212008693 /nfs/dbraw/zinc/00/86/93/212008693.db2.gz NPTJVGPWZRMREV-ZDUSSCGKSA-N 1 2 341.440 2.822 40 0 EFABLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000078403007 217048791 /nfs/dbraw/zinc/04/87/91/217048791.db2.gz IIQLWDXAKOKBSD-YJBOKZPZSA-N 1 2 335.411 2.755 40 0 EFABLO O=S(=O)(/C=C/c1ccccc1)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000078556734 217077503 /nfs/dbraw/zinc/07/75/03/217077503.db2.gz UUORTDMDLJRDLY-DHZHZOJOSA-N 1 2 326.381 2.680 40 0 EFABLO C[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)c1nccs1 ZINC000078602700 217084183 /nfs/dbraw/zinc/08/41/83/217084183.db2.gz MWLTYQULZSXROA-CYBMUJFWSA-N 1 2 346.456 2.858 40 0 EFABLO COc1cc[nH+]cc1NC(=O)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000078991209 217167523 /nfs/dbraw/zinc/16/75/23/217167523.db2.gz NJTBCLDJRMPVNS-HNNXBMFYSA-N 1 2 333.294 2.500 40 0 EFABLO Cc1nc(CCC(=O)Nc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000079039524 217180079 /nfs/dbraw/zinc/18/00/79/217180079.db2.gz FQHRJDWDZZJDKQ-UHFFFAOYSA-N 1 2 345.468 2.855 40 0 EFABLO COCC[N@H+](Cc1cn2ccsc2n1)Cc1ccc2c(c1)OCO2 ZINC000079099929 217193575 /nfs/dbraw/zinc/19/35/75/217193575.db2.gz AFWPGQUHDPWNFE-UHFFFAOYSA-N 1 2 345.424 2.773 40 0 EFABLO COCC[N@@H+](Cc1cn2ccsc2n1)Cc1ccc2c(c1)OCO2 ZINC000079099929 217193576 /nfs/dbraw/zinc/19/35/76/217193576.db2.gz AFWPGQUHDPWNFE-UHFFFAOYSA-N 1 2 345.424 2.773 40 0 EFABLO COCc1ccccc1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000079353515 217213127 /nfs/dbraw/zinc/21/31/27/217213127.db2.gz KSTYVFXTTJSPGG-INIZCTEOSA-N 1 2 339.439 2.747 40 0 EFABLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000079353500 217213546 /nfs/dbraw/zinc/21/35/46/217213546.db2.gz BGHIYPTYXQLGNO-OAHLLOKOSA-N 1 2 341.459 2.552 40 0 EFABLO CCOC(=O)[C@@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000079355033 217213685 /nfs/dbraw/zinc/21/36/85/217213685.db2.gz MBXIZIHXPSSLMN-CYBMUJFWSA-N 1 2 325.836 2.929 40 0 EFABLO CO[C@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000079352925 217213936 /nfs/dbraw/zinc/21/39/36/217213936.db2.gz WQTOOGCNEDESAC-APWZRJJASA-N 1 2 339.439 2.675 40 0 EFABLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000110699517 220058151 /nfs/dbraw/zinc/05/81/51/220058151.db2.gz VNMKKBILELFTHK-CABCVRRESA-N 1 2 335.354 2.745 40 0 EFABLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)o1 ZINC000110699517 220058154 /nfs/dbraw/zinc/05/81/54/220058154.db2.gz VNMKKBILELFTHK-CABCVRRESA-N 1 2 335.354 2.745 40 0 EFABLO C[NH+](C)[C@H](CNC(=O)CCc1ccncc1)c1c(F)cccc1F ZINC000079362517 217216395 /nfs/dbraw/zinc/21/63/95/217216395.db2.gz LSWYVJUSALYFAF-MRXNPFEDSA-N 1 2 333.382 2.712 40 0 EFABLO CCN(CC)c1cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH+]cn1 ZINC000079440292 217224687 /nfs/dbraw/zinc/22/46/87/217224687.db2.gz UIBPYNFVGCMRIQ-ZDUSSCGKSA-N 1 2 335.452 2.744 40 0 EFABLO CCN(CC)c1cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc[nH+]1 ZINC000079440292 217224688 /nfs/dbraw/zinc/22/46/88/217224688.db2.gz UIBPYNFVGCMRIQ-ZDUSSCGKSA-N 1 2 335.452 2.744 40 0 EFABLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000110707175 220058959 /nfs/dbraw/zinc/05/89/59/220058959.db2.gz LMMULVFPWLNROC-CQSZACIVSA-N 1 2 334.357 2.818 40 0 EFABLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1C[C@@H](O)c1ccc(F)cc1 ZINC000110707175 220058962 /nfs/dbraw/zinc/05/89/62/220058962.db2.gz LMMULVFPWLNROC-CQSZACIVSA-N 1 2 334.357 2.818 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)no1 ZINC000079502365 217236912 /nfs/dbraw/zinc/23/69/12/217236912.db2.gz DHLDMOBPDHNYAH-QGZVFWFLSA-N 1 2 343.427 2.645 40 0 EFABLO Cc1cc(NC(=O)C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)no1 ZINC000079502365 217236915 /nfs/dbraw/zinc/23/69/15/217236915.db2.gz DHLDMOBPDHNYAH-QGZVFWFLSA-N 1 2 343.427 2.645 40 0 EFABLO Cc1nc(C)n(-c2ccc(C(=O)Nc3ccc[nH+]c3N(C)C)cc2)n1 ZINC000079697042 217248770 /nfs/dbraw/zinc/24/87/70/217248770.db2.gz LDKZBUDYYXTBJC-UHFFFAOYSA-N 1 2 336.399 2.597 40 0 EFABLO Cn1cc(Br)cc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000079962317 217267991 /nfs/dbraw/zinc/26/79/91/217267991.db2.gz RWIANROHHIUDHQ-SNVBAGLBSA-N 1 2 337.221 2.531 40 0 EFABLO Cc1nc2[nH]ccc2c(N2CCC[C@H](C(=O)N3CCCCCC3)C2)[nH+]1 ZINC000080980145 217346248 /nfs/dbraw/zinc/34/62/48/217346248.db2.gz PULWMJNYVGLCGY-HNNXBMFYSA-N 1 2 341.459 2.885 40 0 EFABLO CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000081107679 217363302 /nfs/dbraw/zinc/36/33/02/217363302.db2.gz JEJFCZYTTUYJCM-AWEZNQCLSA-N 1 2 341.415 2.804 40 0 EFABLO COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(F)nc3)CC2)c1 ZINC000081349265 217386120 /nfs/dbraw/zinc/38/61/20/217386120.db2.gz YYAQNGLKVVFSJA-AWEZNQCLSA-N 1 2 343.402 2.748 40 0 EFABLO Cc1nnc(-c2ccc(C(=O)N[C@H]3CCC[C@H]3n3cc[nH+]c3)cc2)o1 ZINC000081418757 217392946 /nfs/dbraw/zinc/39/29/46/217392946.db2.gz JPCDTVRCXBYDJH-JKSUJKDBSA-N 1 2 337.383 2.765 40 0 EFABLO COc1cc(OC)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000088400251 217751329 /nfs/dbraw/zinc/75/13/29/217751329.db2.gz OALNJVDLPSDJTA-UHFFFAOYSA-N 1 2 348.378 2.908 40 0 EFABLO COc1ccc(C[N@@H+](Cc2cncn2C)C[C@H]2CCCO2)cc1OC ZINC000012116799 211296740 /nfs/dbraw/zinc/29/67/40/211296740.db2.gz LIMYKUUAFVJLJN-QGZVFWFLSA-N 1 2 345.443 2.619 40 0 EFABLO COc1ccc(C[N@H+](Cc2cncn2C)C[C@H]2CCCO2)cc1OC ZINC000012116799 211296746 /nfs/dbraw/zinc/29/67/46/211296746.db2.gz LIMYKUUAFVJLJN-QGZVFWFLSA-N 1 2 345.443 2.619 40 0 EFABLO COc1cccc([C@@H](NC(=O)C2CCCC2)c2[nH+]ccn2C)c1OC ZINC000012114975 211294930 /nfs/dbraw/zinc/29/49/30/211294930.db2.gz RXJACSLMSNTPCI-MRXNPFEDSA-N 1 2 343.427 2.833 40 0 EFABLO COc1cccc([C@H](NC(=O)c2ccco2)c2[nH+]ccn2C)c1OC ZINC000012114970 211293823 /nfs/dbraw/zinc/29/38/23/211293823.db2.gz RQQMUXZTPDVSHX-HNNXBMFYSA-N 1 2 341.367 2.550 40 0 EFABLO COc1ccc(C2CC[NH+](Cc3nnnn3C(C)(C)C)CC2)cc1 ZINC000012113924 211293318 /nfs/dbraw/zinc/29/33/18/211293318.db2.gz ZTUAVAOIUKLDAW-UHFFFAOYSA-N 1 2 329.448 2.816 40 0 EFABLO Cc1nc2cc(C(=O)Nc3ccc4[nH]c(CCCO)[nH+]c4c3)ccc2[nH]1 ZINC000012147413 211307699 /nfs/dbraw/zinc/30/76/99/211307699.db2.gz LVVRKJLUAGNETF-UHFFFAOYSA-N 1 2 349.394 2.925 40 0 EFABLO COc1nc2cc(C)ccc2cc1C[N@H+](C)[C@@]1(C)CCS(=O)(=O)C1 ZINC000012148170 211307264 /nfs/dbraw/zinc/30/72/64/211307264.db2.gz RUCBCHSCWXIOOS-SFHVURJKSA-N 1 2 348.468 2.561 40 0 EFABLO COc1nc2cc(C)ccc2cc1C[N@@H+](C)[C@@]1(C)CCS(=O)(=O)C1 ZINC000012148170 211307266 /nfs/dbraw/zinc/30/72/66/211307266.db2.gz RUCBCHSCWXIOOS-SFHVURJKSA-N 1 2 348.468 2.561 40 0 EFABLO Cc1cnc(NC(=O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)s1 ZINC000012113134 211292041 /nfs/dbraw/zinc/29/20/41/211292041.db2.gz MHFGHCRACYWCSU-UHFFFAOYSA-N 1 2 349.431 2.513 40 0 EFABLO Cc1sc(-c2ccccc2F)nc1C(=O)NCCc1c[nH+]c[nH]1 ZINC000011866550 211261423 /nfs/dbraw/zinc/26/14/23/211261423.db2.gz PLOXLKPEXOPOQY-UHFFFAOYSA-N 1 2 330.388 2.953 40 0 EFABLO Cc1sc(-c2ccccc2F)nc1C(=O)NCCc1c[nH]c[nH+]1 ZINC000011866550 211261426 /nfs/dbraw/zinc/26/14/26/211261426.db2.gz PLOXLKPEXOPOQY-UHFFFAOYSA-N 1 2 330.388 2.953 40 0 EFABLO Cc1cccnc1NC(=O)[C@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000095416486 218354656 /nfs/dbraw/zinc/35/46/56/218354656.db2.gz GOQVRRXEXMVWPV-INIZCTEOSA-N 1 2 339.443 2.960 40 0 EFABLO c1cc(C[NH+]2CCN(c3nnc(C4CC4)s3)CC2)cc2c1OCC2 ZINC000095428413 218371041 /nfs/dbraw/zinc/37/10/41/218371041.db2.gz MGYGDAPYRVHWBU-UHFFFAOYSA-N 1 2 342.468 2.673 40 0 EFABLO c1nn(-c2ccccc2)cc1CNc1ccc[nH+]c1N1CCOCC1 ZINC000095436133 218378114 /nfs/dbraw/zinc/37/81/14/218378114.db2.gz SCARAPKGWUPIGG-UHFFFAOYSA-N 1 2 335.411 2.716 40 0 EFABLO c1cnn(-c2cccc(CNc3ccc[nH+]c3N3CCOCC3)c2)c1 ZINC000095436136 218378831 /nfs/dbraw/zinc/37/88/31/218378831.db2.gz RMAFHAMGJSAVGO-UHFFFAOYSA-N 1 2 335.411 2.716 40 0 EFABLO CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000095449121 218393201 /nfs/dbraw/zinc/39/32/01/218393201.db2.gz WPRYAEQINPRZDL-DZGCQCFKSA-N 1 2 340.427 2.613 40 0 EFABLO CCc1cnc(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000096431786 218806902 /nfs/dbraw/zinc/80/69/02/218806902.db2.gz YTKOJBAHDNAMMR-UHFFFAOYSA-N 1 2 326.425 2.864 40 0 EFABLO Cc1nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2n1-c1ccccc1 ZINC000004902814 210317999 /nfs/dbraw/zinc/31/79/99/210317999.db2.gz KZJUIZXXDVPKDC-UHFFFAOYSA-N 1 2 334.423 2.722 40 0 EFABLO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@H](C)[C@@H]3CCCO3)s2)cc1 ZINC000097374238 219017373 /nfs/dbraw/zinc/01/73/73/219017373.db2.gz TYMMSDQULXDLJQ-OCCSQVGLSA-N 1 2 346.456 2.756 40 0 EFABLO COc1ccccc1N1CC[NH+](CCNC(=O)C2CCCCC2)CC1 ZINC000053151260 132186761 /nfs/dbraw/zinc/18/67/61/132186761.db2.gz HJFABTUBWNFTBH-UHFFFAOYSA-N 1 2 345.487 2.514 40 0 EFABLO Cc1cccc(N2CC[NH+](CC(=O)N[C@H](C)c3ccccc3)CC2)c1 ZINC000057331565 132199779 /nfs/dbraw/zinc/19/97/79/132199779.db2.gz ISFXYCDUDGLVRC-GOSISDBHSA-N 1 2 337.467 2.994 40 0 EFABLO Cc1cc(C)c2ncc(C(=O)N(C)CCCn3cc[nH+]c3)c(O)c2c1 ZINC000165068836 226108258 /nfs/dbraw/zinc/10/82/58/226108258.db2.gz MBDVRYFJACXYHM-UHFFFAOYSA-N 1 2 338.411 2.916 40 0 EFABLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000096487295 544559686 /nfs/dbraw/zinc/55/96/86/544559686.db2.gz VNMKKBILELFTHK-LSDHHAIUSA-N 1 2 335.354 2.745 40 0 EFABLO Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000096487295 544559691 /nfs/dbraw/zinc/55/96/91/544559691.db2.gz VNMKKBILELFTHK-LSDHHAIUSA-N 1 2 335.354 2.745 40 0 EFABLO CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000163262266 544833846 /nfs/dbraw/zinc/83/38/46/544833846.db2.gz QVVNOUGRKISPBY-KRWDZBQOSA-N 1 2 341.415 2.562 40 0 EFABLO CCC[C@@H](NC(N)=O)C(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000272533400 266297603 /nfs/dbraw/zinc/29/76/03/266297603.db2.gz KHFWJGBFIMKMGU-UKRRQHHQSA-N 1 2 347.463 2.544 40 0 EFABLO CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000280967221 273386450 /nfs/dbraw/zinc/38/64/50/273386450.db2.gz SRXCUHWQHJOMII-QAPCUYQASA-N 1 2 346.471 2.906 40 0 EFABLO CCOc1ccccc1[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000280967221 273386451 /nfs/dbraw/zinc/38/64/51/273386451.db2.gz SRXCUHWQHJOMII-QAPCUYQASA-N 1 2 346.471 2.906 40 0 EFABLO CC(=O)N1c2ccccc2[C@]2([NH2+]CCc3c4cc(F)ccc4[nH]c32)C1=O ZINC000022266797 278077954 /nfs/dbraw/zinc/07/79/54/278077954.db2.gz FJCXAKQJFLWCIV-HXUWFJFHSA-N 1 2 349.365 2.589 40 0 EFABLO Cc1nnc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)s1 ZINC000239667698 279221064 /nfs/dbraw/zinc/22/10/64/279221064.db2.gz BRMKOCQUTURDEE-CYBMUJFWSA-N 1 2 332.477 2.544 40 0 EFABLO Cc1nnc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)s1 ZINC000239667698 279221068 /nfs/dbraw/zinc/22/10/68/279221068.db2.gz BRMKOCQUTURDEE-CYBMUJFWSA-N 1 2 332.477 2.544 40 0 EFABLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@H]1C[C@]12CCOc1ccccc12 ZINC000253431989 289439555 /nfs/dbraw/zinc/43/95/55/289439555.db2.gz ILFAUEPTEDWCER-QRWLVFNGSA-N 1 2 337.423 2.851 40 0 EFABLO Cc1nc(C[N@@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cs1 ZINC000096040954 293271179 /nfs/dbraw/zinc/27/11/79/293271179.db2.gz QNDDZMVFDFSQTR-VYDXJSESSA-N 1 2 331.441 2.657 40 0 EFABLO Cc1nc(C[N@H+]2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cs1 ZINC000096040954 293271180 /nfs/dbraw/zinc/27/11/80/293271180.db2.gz QNDDZMVFDFSQTR-VYDXJSESSA-N 1 2 331.441 2.657 40 0 EFABLO CCO[C@H]1C[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C12CCC2 ZINC000332928582 311549122 /nfs/dbraw/zinc/54/91/22/311549122.db2.gz NYXHGALTUCFKBA-CABCVRRESA-N 1 2 332.448 2.646 40 0 EFABLO CC[C@@H]([NH2+]Cc1nc2ccccc2o1)c1cccc(S(N)(=O)=O)c1 ZINC000097370708 323214267 /nfs/dbraw/zinc/21/42/67/323214267.db2.gz GGGWAVVKXTZRHJ-CQSZACIVSA-N 1 2 345.424 2.716 40 0 EFABLO COc1c2c(cc3c1C[N@H+](Cc1ccccc1F)C[C@H]3O)OCO2 ZINC000095470441 473210729 /nfs/dbraw/zinc/21/07/29/473210729.db2.gz PLZMCAFMMRQEPL-OAHLLOKOSA-N 1 2 331.343 2.612 40 0 EFABLO COc1c2c(cc3c1C[N@@H+](Cc1ccccc1F)C[C@H]3O)OCO2 ZINC000095470441 473210732 /nfs/dbraw/zinc/21/07/32/473210732.db2.gz PLZMCAFMMRQEPL-OAHLLOKOSA-N 1 2 331.343 2.612 40 0 EFABLO COc1ccc(NCc2n[nH]c([C@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533278 473222272 /nfs/dbraw/zinc/22/22/72/473222272.db2.gz PHPQIAJMXGWSLP-MRXNPFEDSA-N 1 2 327.363 2.613 40 0 EFABLO COc1ccc(NCc2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1 ZINC000095533278 473222274 /nfs/dbraw/zinc/22/22/74/473222274.db2.gz PHPQIAJMXGWSLP-MRXNPFEDSA-N 1 2 327.363 2.613 40 0 EFABLO COc1ccc(NCc2nc([C@H]([NH3+])c3ccc(F)cc3)n[nH]2)cc1 ZINC000095533278 473222276 /nfs/dbraw/zinc/22/22/76/473222276.db2.gz PHPQIAJMXGWSLP-MRXNPFEDSA-N 1 2 327.363 2.613 40 0 EFABLO COc1ccc(-c2nnc([C@@H]([NH3+])c3ccc(OC)c(OC)c3)[nH]2)cc1 ZINC000095533799 473222320 /nfs/dbraw/zinc/22/23/20/473222320.db2.gz WRXGRHBPAAUYFJ-INIZCTEOSA-N 1 2 340.383 2.546 40 0 EFABLO COc1ccc(-c2n[nH]c([C@@H]([NH3+])c3ccc(OC)c(OC)c3)n2)cc1 ZINC000095533799 473222321 /nfs/dbraw/zinc/22/23/21/473222321.db2.gz WRXGRHBPAAUYFJ-INIZCTEOSA-N 1 2 340.383 2.546 40 0 EFABLO O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000140780105 473249108 /nfs/dbraw/zinc/24/91/08/473249108.db2.gz ZZZQTUNLUMXFPA-NSHDSACASA-N 1 2 339.317 2.730 40 0 EFABLO O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000140780105 473249112 /nfs/dbraw/zinc/24/91/12/473249112.db2.gz ZZZQTUNLUMXFPA-NSHDSACASA-N 1 2 339.317 2.730 40 0 EFABLO Cc1ccoc1C(=O)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000096040694 473262359 /nfs/dbraw/zinc/26/23/59/473262359.db2.gz OROHXBCMOXGPCV-DAYGRLMNSA-N 1 2 341.411 2.715 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)o1 ZINC000096042201 473263076 /nfs/dbraw/zinc/26/30/76/473263076.db2.gz YCXHBKLHFFHQIV-GBESFXJTSA-N 1 2 328.412 2.932 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)o1 ZINC000096042201 473263085 /nfs/dbraw/zinc/26/30/85/473263085.db2.gz YCXHBKLHFFHQIV-GBESFXJTSA-N 1 2 328.412 2.932 40 0 EFABLO COc1cc(NC(=O)NCc2[nH+]ccn2C)ccc1Br ZINC000096446043 473424023 /nfs/dbraw/zinc/42/40/23/473424023.db2.gz LXJZZAAQPKKXLL-UHFFFAOYSA-N 1 2 339.193 2.513 40 0 EFABLO COc1ncccc1CN1Cc2[nH+]cn(C)c2[C@H](COCC(C)C)C1 ZINC000096044846 473265746 /nfs/dbraw/zinc/26/57/46/473265746.db2.gz WWXMEWPDNHTHPR-INIZCTEOSA-N 1 2 344.459 2.596 40 0 EFABLO COc1cccc(OC)c1OC[C@H](O)Cn1c(C)[nH+]c2ccccc21 ZINC000142447457 473265993 /nfs/dbraw/zinc/26/59/93/473265993.db2.gz VMNVXRLPZJDVTE-CQSZACIVSA-N 1 2 342.395 2.802 40 0 EFABLO Cc1csc(C[N@@H+]2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)n1 ZINC000096045832 473266829 /nfs/dbraw/zinc/26/68/29/473266829.db2.gz ARVUTUPTTAMJII-RWMBFGLXSA-N 1 2 332.429 2.674 40 0 EFABLO Cc1csc(C[N@H+]2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)n1 ZINC000096045832 473266836 /nfs/dbraw/zinc/26/68/36/473266836.db2.gz ARVUTUPTTAMJII-RWMBFGLXSA-N 1 2 332.429 2.674 40 0 EFABLO CCOC[C@@H]1CN(Cc2nccs2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060312 473283140 /nfs/dbraw/zinc/28/31/40/473283140.db2.gz DTPAVMCTNOSUFM-AWEZNQCLSA-N 1 2 332.473 2.886 40 0 EFABLO CCOC[C@@H]1CN(Cc2ccccn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060322 473283667 /nfs/dbraw/zinc/28/36/67/473283667.db2.gz PCHWTMANODZQGS-INIZCTEOSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@@H]1C[N@H+](Cc2ccccn2)Cc2cn(CC3CC3)nc21 ZINC000096059972 473283983 /nfs/dbraw/zinc/28/39/83/473283983.db2.gz VOMFLKSHAYCKSH-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2cn(CC3CC3)nc21 ZINC000096059972 473283992 /nfs/dbraw/zinc/28/39/92/473283992.db2.gz VOMFLKSHAYCKSH-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@H]1CN(Cc2nccs2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060313 473284031 /nfs/dbraw/zinc/28/40/31/473284031.db2.gz DTPAVMCTNOSUFM-CQSZACIVSA-N 1 2 332.473 2.886 40 0 EFABLO Cn1nnc2c1[C@@H](COCc1ccccc1)C[N@H+](Cc1cccnc1)C2 ZINC000096060812 473286059 /nfs/dbraw/zinc/28/60/59/473286059.db2.gz IGXQILFRNOINFP-GOSISDBHSA-N 1 2 349.438 2.526 40 0 EFABLO Cn1nnc2c1[C@@H](COCc1ccccc1)C[N@@H+](Cc1cccnc1)C2 ZINC000096060812 473286066 /nfs/dbraw/zinc/28/60/66/473286066.db2.gz IGXQILFRNOINFP-GOSISDBHSA-N 1 2 349.438 2.526 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096065709 473286370 /nfs/dbraw/zinc/28/63/70/473286370.db2.gz GGFJBWOBXLKPSS-FHWLQOOXSA-N 1 2 328.412 2.932 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096065709 473286377 /nfs/dbraw/zinc/28/63/77/473286377.db2.gz GGFJBWOBXLKPSS-FHWLQOOXSA-N 1 2 328.412 2.932 40 0 EFABLO Cc1cc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)no1 ZINC000096107573 473300824 /nfs/dbraw/zinc/30/08/24/473300824.db2.gz VJZCYQZYAPJLBF-YJBOKZPZSA-N 1 2 347.390 2.720 40 0 EFABLO Cc1cc(C[N@H+]2CCC[C@]3(C[C@H](Oc4ncccc4F)CO3)C2)no1 ZINC000096107573 473300831 /nfs/dbraw/zinc/30/08/31/473300831.db2.gz VJZCYQZYAPJLBF-YJBOKZPZSA-N 1 2 347.390 2.720 40 0 EFABLO Fc1cccnc1OC[C@@]12CCO[C@@H]1CC[N@H+](Cc1nccs1)C2 ZINC000096110438 473303972 /nfs/dbraw/zinc/30/39/72/473303972.db2.gz VCZHELIRWQKQHL-PBHICJAKSA-N 1 2 349.431 2.737 40 0 EFABLO Fc1cccnc1OC[C@@]12CCO[C@@H]1CC[N@@H+](Cc1nccs1)C2 ZINC000096110438 473303981 /nfs/dbraw/zinc/30/39/81/473303981.db2.gz VCZHELIRWQKQHL-PBHICJAKSA-N 1 2 349.431 2.737 40 0 EFABLO O=C(Cc1ccsc1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096208187 473343296 /nfs/dbraw/zinc/34/32/96/473343296.db2.gz AEBVIIVBRICJQC-MRXNPFEDSA-N 1 2 345.468 2.572 40 0 EFABLO Cc1cccc(C[N@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)n1 ZINC000096209175 473344705 /nfs/dbraw/zinc/34/47/05/473344705.db2.gz RGDHQBBPAYEBRN-KRWDZBQOSA-N 1 2 349.438 2.693 40 0 EFABLO Cc1cccc(C[N@@H+]2Cc3cncn3C[C@@H](COc3cccnc3)C2)n1 ZINC000096209175 473344711 /nfs/dbraw/zinc/34/47/11/473344711.db2.gz RGDHQBBPAYEBRN-KRWDZBQOSA-N 1 2 349.438 2.693 40 0 EFABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)/C=C/c2cccs2)C1 ZINC000096218627 473352312 /nfs/dbraw/zinc/35/23/12/473352312.db2.gz ZLNBWWLBGNJIFK-VBROQKIQSA-N 1 2 331.441 2.653 40 0 EFABLO Fc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4nncs4)C3)C2)cc1 ZINC000096226642 473356873 /nfs/dbraw/zinc/35/68/73/473356873.db2.gz OYDMIZOVYQOPOC-QGZVFWFLSA-N 1 2 348.447 2.549 40 0 EFABLO Fc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4nncs4)C3)C2)cc1 ZINC000096226642 473356877 /nfs/dbraw/zinc/35/68/77/473356877.db2.gz OYDMIZOVYQOPOC-QGZVFWFLSA-N 1 2 348.447 2.549 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)n1 ZINC000096250567 473364717 /nfs/dbraw/zinc/36/47/17/473364717.db2.gz HFSGDDIQVIPFAJ-QXAKKESOSA-N 1 2 339.439 2.843 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@H]32)n1 ZINC000096250567 473364724 /nfs/dbraw/zinc/36/47/24/473364724.db2.gz HFSGDDIQVIPFAJ-QXAKKESOSA-N 1 2 339.439 2.843 40 0 EFABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(C(=O)CC1CC1)CC2 ZINC000096254270 473365446 /nfs/dbraw/zinc/36/54/46/473365446.db2.gz CKZQGGKPANPVRT-UHFFFAOYSA-N 1 2 343.475 2.582 40 0 EFABLO Cc1[nH]ncc1C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000096403979 473380888 /nfs/dbraw/zinc/38/08/88/473380888.db2.gz QUGMFNYKKLINNF-AWEZNQCLSA-N 1 2 335.249 2.849 40 0 EFABLO Cc1cc(NCc2cc[nH+]c(N3CCCCCC3)c2)n2ncnc2n1 ZINC000096404746 473381266 /nfs/dbraw/zinc/38/12/66/473381266.db2.gz RHQDTSFRAJAGHW-UHFFFAOYSA-N 1 2 337.431 2.820 40 0 EFABLO CC(=O)Nc1ccc([S@@](=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000083977422 473378866 /nfs/dbraw/zinc/37/88/66/473378866.db2.gz SJABKSMEOWMLKK-HSZRJFAPSA-N 1 2 327.409 2.909 40 0 EFABLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000096405556 473382898 /nfs/dbraw/zinc/38/28/98/473382898.db2.gz BAKFDIYQFKMUSF-ROUUACIJSA-N 1 2 347.422 2.870 40 0 EFABLO C[C@H](Cn1cc[nH+]c1)NC(=O)c1csc(Cc2ccccc2F)n1 ZINC000096410032 473389917 /nfs/dbraw/zinc/38/99/17/473389917.db2.gz CTFVFHLKKTZEIE-GFCCVEGCSA-N 1 2 344.415 2.888 40 0 EFABLO Cc1cc(N)nc(SCC(=O)Nc2ccc(N3CCCC3)cc2)[nH+]1 ZINC000007177391 471595866 /nfs/dbraw/zinc/59/58/66/471595866.db2.gz NTOJKRIWSQPJNX-UHFFFAOYSA-N 1 2 343.456 2.698 40 0 EFABLO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[N@H+](C)Cc2ccco2)cc1 ZINC000008198168 471671350 /nfs/dbraw/zinc/67/13/50/471671350.db2.gz UTQBOORNARWCSK-HNNXBMFYSA-N 1 2 343.427 2.505 40 0 EFABLO Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)[N@@H+](C)Cc2ccco2)cc1 ZINC000008198168 471671353 /nfs/dbraw/zinc/67/13/53/471671353.db2.gz UTQBOORNARWCSK-HNNXBMFYSA-N 1 2 343.427 2.505 40 0 EFABLO COc1cccc([C@H](NC(=O)Cc2ccccc2)c2[nH+]ccn2C)c1 ZINC000008216817 471673056 /nfs/dbraw/zinc/67/30/56/471673056.db2.gz FHOQYGPPJTVVQJ-IBGZPJMESA-N 1 2 335.407 2.877 40 0 EFABLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000008345334 471683914 /nfs/dbraw/zinc/68/39/14/471683914.db2.gz SRIVGZHREQECBQ-QLFBSQMISA-N 1 2 349.450 2.589 40 0 EFABLO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000008345334 471683921 /nfs/dbraw/zinc/68/39/21/471683921.db2.gz SRIVGZHREQECBQ-QLFBSQMISA-N 1 2 349.450 2.589 40 0 EFABLO C[C@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000012931944 471807158 /nfs/dbraw/zinc/80/71/58/471807158.db2.gz GAOGKHQEBYBRMC-XHSDSOJGSA-N 1 2 330.472 2.852 40 0 EFABLO C[C@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000012931944 471807163 /nfs/dbraw/zinc/80/71/63/471807163.db2.gz GAOGKHQEBYBRMC-XHSDSOJGSA-N 1 2 330.472 2.852 40 0 EFABLO Cc1nnc(SCC[NH+]2CCOCC2)n1-c1cccc(Cl)c1 ZINC000019288319 471978196 /nfs/dbraw/zinc/97/81/96/471978196.db2.gz VNZOJBZIWGRYHJ-UHFFFAOYSA-N 1 2 338.864 2.653 40 0 EFABLO Cc1cccnc1[C@@H](Cc1ccsc1)NC(=O)Cn1cc[nH+]c1 ZINC000019237625 471978400 /nfs/dbraw/zinc/97/84/00/471978400.db2.gz ARIOGSHFJUHNJG-OAHLLOKOSA-N 1 2 326.425 2.748 40 0 EFABLO O=C(c1ccc2c(c1)CCCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000033237724 471980526 /nfs/dbraw/zinc/98/05/26/471980526.db2.gz XDDCJUIIEXSSJO-UHFFFAOYSA-N 1 2 335.451 2.918 40 0 EFABLO Cc1cc(NC(=O)[C@H](C)[N@H+]2CC=C(c3ccc(O)cc3)CC2)on1 ZINC000025680571 472106697 /nfs/dbraw/zinc/10/66/97/472106697.db2.gz DPHKMVJLJXPDMX-ZDUSSCGKSA-N 1 2 327.384 2.805 40 0 EFABLO Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(O)cc3)CC2)on1 ZINC000025680571 472106704 /nfs/dbraw/zinc/10/67/04/472106704.db2.gz DPHKMVJLJXPDMX-ZDUSSCGKSA-N 1 2 327.384 2.805 40 0 EFABLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)nc3)sc2C1 ZINC000027989266 472207031 /nfs/dbraw/zinc/20/70/31/472207031.db2.gz SIVQHGZRQMFLMB-UHFFFAOYSA-N 1 2 342.346 2.797 40 0 EFABLO C[N@H+]1CCc2nc(NC(=O)c3ccc(C(F)(F)F)nc3)sc2C1 ZINC000027989266 472207038 /nfs/dbraw/zinc/20/70/38/472207038.db2.gz SIVQHGZRQMFLMB-UHFFFAOYSA-N 1 2 342.346 2.797 40 0 EFABLO COC[C@@H]1CCCN(c2nc(N3CCC[C@H](COC)C3)[nH+]cc2C)C1 ZINC000085686851 472263073 /nfs/dbraw/zinc/26/30/73/472263073.db2.gz OGFXRFMOGSERDO-SJORKVTESA-N 1 2 348.491 2.511 40 0 EFABLO CC(C)(CNC(=O)c1cc(Cl)sc1Cl)[NH+]1CCOCC1 ZINC000044874944 472346623 /nfs/dbraw/zinc/34/66/23/472346623.db2.gz YZGNUDUNTZTIPB-UHFFFAOYSA-N 1 2 337.272 2.896 40 0 EFABLO COc1cc(OC)cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000030756613 472348234 /nfs/dbraw/zinc/34/82/34/472348234.db2.gz DUABTXTWCVRNNI-UHFFFAOYSA-N 1 2 337.379 2.820 40 0 EFABLO CS(=O)(=O)CC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000088560307 472373920 /nfs/dbraw/zinc/37/39/20/472373920.db2.gz HXOJEHDSWJPYPE-CYBMUJFWSA-N 1 2 332.263 2.631 40 0 EFABLO CS(=O)(=O)CC[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000088560307 472373922 /nfs/dbraw/zinc/37/39/22/472373922.db2.gz HXOJEHDSWJPYPE-CYBMUJFWSA-N 1 2 332.263 2.631 40 0 EFABLO CCO[C@H](C)c1nc(C[NH+]2CCC(CNC(C)=O)CC2)cs1 ZINC000076722262 472390314 /nfs/dbraw/zinc/39/03/14/472390314.db2.gz AMABHQFVYQJFBR-GFCCVEGCSA-N 1 2 325.478 2.589 40 0 EFABLO CS[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000097096478 472443345 /nfs/dbraw/zinc/44/33/45/472443345.db2.gz HEOLKGHWMZIXSI-NVXWUHKLSA-N 1 2 348.516 2.583 40 0 EFABLO Cc1ccccc1[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000097096475 472443851 /nfs/dbraw/zinc/44/38/51/472443851.db2.gz FJUFJUCNBRXUMF-KRWDZBQOSA-N 1 2 338.455 2.978 40 0 EFABLO C[C@@H](CN1CCC[N@H+](CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103880 472448883 /nfs/dbraw/zinc/44/88/83/472448883.db2.gz ACHHXTRQFJWOEW-HNNXBMFYSA-N 1 2 337.895 2.539 40 0 EFABLO C[C@@H](CN1CCC[N@@H+](CC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000097103880 472448889 /nfs/dbraw/zinc/44/88/89/472448889.db2.gz ACHHXTRQFJWOEW-HNNXBMFYSA-N 1 2 337.895 2.539 40 0 EFABLO c1ccc(CCn2nnnc2[C@H](c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000057710412 472466962 /nfs/dbraw/zinc/46/69/62/472466962.db2.gz LLOTUVJEZVLFHI-IBGZPJMESA-N 1 2 348.454 2.886 40 0 EFABLO Cc1nc2ncnn2c(N[C@H](c2[nH+]ccn2C)c2ccccc2)c1C ZINC000077187998 472467937 /nfs/dbraw/zinc/46/79/37/472467937.db2.gz WLODXUNFABUSNN-HNNXBMFYSA-N 1 2 333.399 2.676 40 0 EFABLO CCn1cc[nH+]c1CNc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000097227464 472483506 /nfs/dbraw/zinc/48/35/06/472483506.db2.gz SECIIBMRIRNBBC-UHFFFAOYSA-N 1 2 348.834 2.641 40 0 EFABLO CNC(=O)c1ccc(CN(Cc2ccco2)c2cc[nH+]c(C)n2)cc1 ZINC000097227809 472483647 /nfs/dbraw/zinc/48/36/47/472483647.db2.gz OMLJKLLUHVIALL-UHFFFAOYSA-N 1 2 336.395 2.944 40 0 EFABLO C[C@@H](Nc1ccc(N(C)C)[nH+]c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000097231522 472485340 /nfs/dbraw/zinc/48/53/40/472485340.db2.gz QMVCLRTZQPFUAF-CYBMUJFWSA-N 1 2 348.472 2.571 40 0 EFABLO Cc1ccc(CNC(=O)c2ccc(O)cc2F)c(N2CCCC2)[nH+]1 ZINC000097237333 472486382 /nfs/dbraw/zinc/48/63/82/472486382.db2.gz MMZICKGGHFEPGW-UHFFFAOYSA-N 1 2 329.375 2.765 40 0 EFABLO O=C(CCCSc1ccc(Cl)cc1)NCC[NH+]1CCOCC1 ZINC000045973388 472492956 /nfs/dbraw/zinc/49/29/56/472492956.db2.gz ULDKTANSISYIHH-UHFFFAOYSA-N 1 2 342.892 2.661 40 0 EFABLO C[C@@H]1C(=O)N(Cc2cc[nH+]c(N(C)C)c2)C(=O)N1c1ccc(F)cc1 ZINC000097377181 472494641 /nfs/dbraw/zinc/49/46/41/472494641.db2.gz TWZMJAQVSBQKOT-GFCCVEGCSA-N 1 2 342.374 2.644 40 0 EFABLO CC(C)CCO[C@@H](C)C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000060334956 472643400 /nfs/dbraw/zinc/64/34/00/472643400.db2.gz ZEVVPEYMQONRCR-INIZCTEOSA-N 1 2 333.476 2.960 40 0 EFABLO CCn1c(C[NH+]2CCC(NC(=O)C(C)C)CC2)nc2cc(F)ccc21 ZINC000060375424 472650148 /nfs/dbraw/zinc/65/01/48/472650148.db2.gz YEVRSAVNRSADPH-UHFFFAOYSA-N 1 2 346.450 2.932 40 0 EFABLO O=C(c1ccc(Br)o1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120611199 472718025 /nfs/dbraw/zinc/71/80/25/472718025.db2.gz CFGMEVTZGGOACJ-NSHDSACASA-N 1 2 337.173 2.731 40 0 EFABLO C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078992688 472802719 /nfs/dbraw/zinc/80/27/19/472802719.db2.gz OTPIMKIAVVBNLL-CXAGYDPISA-N 1 2 339.395 2.975 40 0 EFABLO C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000079043770 472810350 /nfs/dbraw/zinc/81/03/50/472810350.db2.gz SINVRRFTAXUIOQ-WDEREUQCSA-N 1 2 325.771 2.648 40 0 EFABLO O=c1c2ccccc2nnn1C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000048365766 472866885 /nfs/dbraw/zinc/86/68/85/472866885.db2.gz RVHZQDPHXNUCTB-LJQANCHMSA-N 1 2 332.407 2.901 40 0 EFABLO O=c1c2ccccc2nnn1C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000048365766 472866891 /nfs/dbraw/zinc/86/68/91/472866891.db2.gz RVHZQDPHXNUCTB-LJQANCHMSA-N 1 2 332.407 2.901 40 0 EFABLO O=C(C[C@H]1COCCN1Cc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000134168510 472880656 /nfs/dbraw/zinc/88/06/56/472880656.db2.gz YWDUYFCBCKJRDD-SFHVURJKSA-N 1 2 335.407 2.808 40 0 EFABLO Fc1ccc(OCc2nnc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)o2)cc1 ZINC000049170421 472933595 /nfs/dbraw/zinc/93/35/95/472933595.db2.gz GEDDSWVUDKOWPE-LBPRGKRZSA-N 1 2 343.362 2.500 40 0 biogenic,in-vitro EFABLO Fc1ccc(OCc2nnc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)o2)cc1 ZINC000049170421 472933604 /nfs/dbraw/zinc/93/36/04/472933604.db2.gz GEDDSWVUDKOWPE-LBPRGKRZSA-N 1 2 343.362 2.500 40 0 biogenic,in-vitro EFABLO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000107249536 472936486 /nfs/dbraw/zinc/93/64/86/472936486.db2.gz SCNZJFOTZKITDL-SWLSCSKDSA-N 1 2 333.844 2.753 40 0 EFABLO O=C(c1cscn1)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000107249536 472936492 /nfs/dbraw/zinc/93/64/92/472936492.db2.gz SCNZJFOTZKITDL-SWLSCSKDSA-N 1 2 333.844 2.753 40 0 EFABLO C[C@@H]1C[NH+](CCNC(=O)c2cnc(-c3ccccc3)s2)C[C@@H](C)O1 ZINC000065568806 472978908 /nfs/dbraw/zinc/97/89/08/472978908.db2.gz AJYLYNJEQWANHY-ZIAGYGMSSA-N 1 2 345.468 2.649 40 0 EFABLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)c2cnn(C)c2)CC1 ZINC000093022157 473029304 /nfs/dbraw/zinc/02/93/04/473029304.db2.gz YRBRUFBCMSZCLJ-UHFFFAOYSA-N 1 2 337.427 2.810 40 0 EFABLO Cn1cnc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000074705494 473049136 /nfs/dbraw/zinc/04/91/36/473049136.db2.gz AQCVJKPQQDSIBW-UHFFFAOYSA-N 1 2 334.423 2.531 40 0 EFABLO Cc1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc[nH+]1 ZINC000075166368 473144493 /nfs/dbraw/zinc/14/44/93/473144493.db2.gz XCUKCVTWCAXBKX-UHFFFAOYSA-N 1 2 349.797 2.932 40 0 EFABLO O=C(N[C@@H]1CCC[C@H]1n1cc[nH+]c1)c1cccc(Nc2cnccn2)c1 ZINC000096414467 473393966 /nfs/dbraw/zinc/39/39/66/473393966.db2.gz FXPOHBKEADKXFI-IAGOWNOFSA-N 1 2 348.410 2.940 40 0 EFABLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(C(C)C)[nH]n1 ZINC000096414566 473394018 /nfs/dbraw/zinc/39/40/18/473394018.db2.gz RHEXWVGYCUVZFM-UHFFFAOYSA-N 1 2 342.443 2.926 40 0 EFABLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000096414824 473394195 /nfs/dbraw/zinc/39/41/95/473394195.db2.gz ZOPIAMXJPQOWID-QGZVFWFLSA-N 1 2 334.441 2.634 40 0 EFABLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000096414824 473394201 /nfs/dbraw/zinc/39/42/01/473394201.db2.gz ZOPIAMXJPQOWID-QGZVFWFLSA-N 1 2 334.441 2.634 40 0 EFABLO O=C(N[C@@H]1CCC[C@@H]1n1cc[nH+]c1)c1cccc(Nc2cnccn2)c1 ZINC000096414465 473394265 /nfs/dbraw/zinc/39/42/65/473394265.db2.gz FXPOHBKEADKXFI-SJORKVTESA-N 1 2 348.410 2.940 40 0 EFABLO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000096425508 473403802 /nfs/dbraw/zinc/40/38/02/473403802.db2.gz TVQFEMVLVZAAOZ-CYBMUJFWSA-N 1 2 337.427 2.584 40 0 EFABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3cc4c(cccc4F)[nH]3)CC2)S1 ZINC000096426969 473406014 /nfs/dbraw/zinc/40/60/14/473406014.db2.gz ANBKEQJHGYPDLR-LLVKDONJSA-N 1 2 346.431 2.556 40 0 EFABLO C[C@H]1CCCN1C(=O)CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000096435687 473414711 /nfs/dbraw/zinc/41/47/11/473414711.db2.gz ORZQFRXIYUAZHA-IUYMFKLXSA-N 1 2 341.499 2.718 40 0 EFABLO CS[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000096439409 473417808 /nfs/dbraw/zinc/41/78/08/473417808.db2.gz ZESMLMCSAHXCHJ-HUUCEWRRSA-N 1 2 330.457 2.956 40 0 EFABLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@@H]1CCCSC1 ZINC000096452316 473428958 /nfs/dbraw/zinc/42/89/58/473428958.db2.gz OTSMHQARXFVUPF-MRXNPFEDSA-N 1 2 344.484 2.669 40 0 EFABLO Cc1cccn2cc(CCNC(=O)N3CC[C@@H](OCC(C)C)C3)[nH+]c12 ZINC000096468466 473436338 /nfs/dbraw/zinc/43/63/38/473436338.db2.gz VMUPRXAYAWMRNC-QGZVFWFLSA-N 1 2 344.459 2.642 40 0 EFABLO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C1=CCCC1 ZINC000096472367 473437431 /nfs/dbraw/zinc/43/74/31/473437431.db2.gz WMHRDTGVIADYIK-QGZVFWFLSA-N 1 2 328.456 2.846 40 0 EFABLO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)n1 ZINC000096489549 473446341 /nfs/dbraw/zinc/44/63/41/473446341.db2.gz UDVZBRMZPWVPRZ-OAHLLOKOSA-N 1 2 327.432 2.751 40 0 EFABLO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2nnc3n2CCCCC3)n1 ZINC000096489549 473446348 /nfs/dbraw/zinc/44/63/48/473446348.db2.gz UDVZBRMZPWVPRZ-OAHLLOKOSA-N 1 2 327.432 2.751 40 0 EFABLO CCNc1nc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000096495410 473451005 /nfs/dbraw/zinc/45/10/05/473451005.db2.gz HCHLPTSTTAMIML-UHFFFAOYSA-N 1 2 346.456 2.659 40 0 EFABLO Cc1nscc1C(=O)N1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000096500532 473453158 /nfs/dbraw/zinc/45/31/58/473453158.db2.gz RAIQVJTXOROUMS-UHFFFAOYSA-N 1 2 333.432 2.591 40 0 EFABLO Cn1ccc([C@H](NC(=O)c2cccc(-n3cc[nH+]c3)n2)C(F)(F)F)c1 ZINC000096501432 473454505 /nfs/dbraw/zinc/45/45/05/473454505.db2.gz YPIKOIPIRKZOHD-AWEZNQCLSA-N 1 2 349.316 2.639 40 0 EFABLO Cn1nccc1C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000096502305 473454549 /nfs/dbraw/zinc/45/45/49/473454549.db2.gz IMQBCNKKKDKJNV-UHFFFAOYSA-N 1 2 337.214 2.597 40 0 EFABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC[C@H]2CCCO2)CC1 ZINC000096503135 473454670 /nfs/dbraw/zinc/45/46/70/473454670.db2.gz OLFWILKKRFOHRG-GDBMZVCRSA-N 1 2 337.489 2.705 40 0 EFABLO Cc1nc2ccccc2nc1C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191202377 473505729 /nfs/dbraw/zinc/50/57/29/473505729.db2.gz ZBTPMPJLMOHNGQ-GOSISDBHSA-N 1 2 339.468 2.962 40 0 EFABLO Cc1nc2ccccc2nc1C[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191202377 473505732 /nfs/dbraw/zinc/50/57/32/473505732.db2.gz ZBTPMPJLMOHNGQ-GOSISDBHSA-N 1 2 339.468 2.962 40 0 EFABLO CC(C)(C)c1cnc(CCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)o1 ZINC000185885833 473538881 /nfs/dbraw/zinc/53/88/81/473538881.db2.gz NRYFBZXHZBFWCL-CQSZACIVSA-N 1 2 342.443 2.695 40 0 EFABLO C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000191960060 473594109 /nfs/dbraw/zinc/59/41/09/473594109.db2.gz MSHSXSZGPHQGJD-AWEZNQCLSA-N 1 2 327.432 2.860 40 0 EFABLO FC(F)(F)c1cc[nH+]c(NCc2cn(Cc3cccnc3)nn2)c1 ZINC000192148372 473636854 /nfs/dbraw/zinc/63/68/54/473636854.db2.gz PNRSBYTWPFJKHZ-UHFFFAOYSA-N 1 2 334.305 2.747 40 0 EFABLO c1ccc(-n2c(C[NH+]3CCCC3)nnc2S[C@@H]2CCOC2)cc1 ZINC000188199699 474017290 /nfs/dbraw/zinc/01/72/90/474017290.db2.gz YCKIKVSIPHOLDD-OAHLLOKOSA-N 1 2 330.457 2.744 40 0 EFABLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CC(=O)NCc1ccccn1 ZINC000195530150 474089887 /nfs/dbraw/zinc/08/98/87/474089887.db2.gz VGVDWMMJVQGKSQ-JXXFODFXSA-N 1 2 339.439 2.548 40 0 EFABLO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CC(=O)NCc1ccccn1 ZINC000195530150 474089893 /nfs/dbraw/zinc/08/98/93/474089893.db2.gz VGVDWMMJVQGKSQ-JXXFODFXSA-N 1 2 339.439 2.548 40 0 EFABLO Fc1cccnc1OC[C@H]1CCOC12C[NH+](Cc1ccsc1)C2 ZINC000247552956 474179627 /nfs/dbraw/zinc/17/96/27/474179627.db2.gz WJNBOJVURAUCMM-CQSZACIVSA-N 1 2 334.416 2.952 40 0 EFABLO Fc1cccnc1O[C@@H]1CSC2(C[NH+](Cc3nccs3)C2)C1 ZINC000247564398 474182442 /nfs/dbraw/zinc/18/24/42/474182442.db2.gz ZXENGMRARUZQKG-NSHDSACASA-N 1 2 337.445 2.816 40 0 EFABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)Nc1ccc(F)cc1 ZINC000224141835 474194597 /nfs/dbraw/zinc/19/45/97/474194597.db2.gz AAZQOOQYNSLVTF-UHFFFAOYSA-N 1 2 344.394 2.926 40 0 EFABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1ccccc1 ZINC000224354498 474197225 /nfs/dbraw/zinc/19/72/25/474197225.db2.gz MHVZAWUMRNWNKS-UHFFFAOYSA-N 1 2 325.416 2.785 40 0 EFABLO COC[C@H]1CN(C(=O)Cc2csc3ccccc23)Cc2c[nH+]cn21 ZINC000247839903 474215033 /nfs/dbraw/zinc/21/50/33/474215033.db2.gz KMCLRSMXBCZYSR-OAHLLOKOSA-N 1 2 341.436 2.870 40 0 EFABLO COc1ccccc1COC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000225484264 474216002 /nfs/dbraw/zinc/21/60/02/474216002.db2.gz JXDUTXJYDVNDHY-UHFFFAOYSA-N 1 2 348.834 2.906 40 0 EFABLO COc1ccccc1COC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000225484264 474216009 /nfs/dbraw/zinc/21/60/09/474216009.db2.gz JXDUTXJYDVNDHY-UHFFFAOYSA-N 1 2 348.834 2.906 40 0 EFABLO c1csc(C[NH+]2CC3(C2)CC[C@@H](CNc2ncccn2)CO3)c1 ZINC000247855497 474217502 /nfs/dbraw/zinc/21/75/02/474217502.db2.gz XJDYKDALERWEEK-AWEZNQCLSA-N 1 2 330.457 2.631 40 0 EFABLO c1csc(NC2CCN(c3cc(N4CCCC4)[nH+]cn3)CC2)n1 ZINC000225487397 474217608 /nfs/dbraw/zinc/21/76/08/474217608.db2.gz WMHKCZKTKMMMJF-UHFFFAOYSA-N 1 2 330.461 2.614 40 0 EFABLO c1csc(NC2CCN(c3cc(N4CCCC4)nc[nH+]3)CC2)n1 ZINC000225487397 474217614 /nfs/dbraw/zinc/21/76/14/474217614.db2.gz WMHKCZKTKMMMJF-UHFFFAOYSA-N 1 2 330.461 2.614 40 0 EFABLO Fc1ccccc1C1=CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000225486388 474218355 /nfs/dbraw/zinc/21/83/55/474218355.db2.gz WIMUNEXUGYVXOU-UHFFFAOYSA-N 1 2 340.402 2.746 40 0 EFABLO Fc1ccccc1C1=CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000225486388 474218362 /nfs/dbraw/zinc/21/83/62/474218362.db2.gz WIMUNEXUGYVXOU-UHFFFAOYSA-N 1 2 340.402 2.746 40 0 EFABLO Cn1ncc2c1nc(NCc1ccnc(SC(C)(C)C)c1)[nH+]c2N ZINC000225513657 474219245 /nfs/dbraw/zinc/21/92/45/474219245.db2.gz WTXCUBUBSGBZHH-UHFFFAOYSA-N 1 2 343.460 2.843 40 0 EFABLO c1ccc(COCC[C@H]2CCOC23C[NH+](Cc2cccnc2)C3)nc1 ZINC000247915545 474223432 /nfs/dbraw/zinc/22/34/32/474223432.db2.gz ZEEIYUQNCHHIOF-SFHVURJKSA-N 1 2 339.439 2.674 40 0 EFABLO Cc1csc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CS3)n1 ZINC000247925017 474224922 /nfs/dbraw/zinc/22/49/22/474224922.db2.gz ALVXJDOTVFNULI-CQSZACIVSA-N 1 2 333.482 2.985 40 0 EFABLO O=C(c1ccccc1)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000247938257 474227304 /nfs/dbraw/zinc/22/73/04/474227304.db2.gz OOEFGWFAIHBYSB-KRWDZBQOSA-N 1 2 337.423 2.815 40 0 EFABLO c1csc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)c1 ZINC000247931144 474228108 /nfs/dbraw/zinc/22/81/08/474228108.db2.gz FUQYROUUKPNUOF-MRXNPFEDSA-N 1 2 337.485 2.925 40 0 EFABLO c1cc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)cs1 ZINC000247954869 474231653 /nfs/dbraw/zinc/23/16/53/474231653.db2.gz NRJDLEWNNDLOMQ-QGZVFWFLSA-N 1 2 337.485 2.925 40 0 EFABLO O=C1CCCN1CC[C@@H]1CCOC12C[NH+](Cc1ccc(Cl)cc1)C2 ZINC000247960704 474233882 /nfs/dbraw/zinc/23/38/82/474233882.db2.gz QBEGKVCVWLOARP-MRXNPFEDSA-N 1 2 348.874 2.943 40 0 EFABLO COc1ccc(-n2c(C)nnc2SCc2cc[nH+]c(N)c2)cc1 ZINC000225689835 474237571 /nfs/dbraw/zinc/23/75/71/474237571.db2.gz LDBHJOKSULOLQA-UHFFFAOYSA-N 1 2 327.413 2.854 40 0 EFABLO Cc1ccsc1C[N@@H+]1Cc2ncn(C)c2[C@@H](C(=O)NC2CCC2)C1 ZINC000248052428 474251673 /nfs/dbraw/zinc/25/16/73/474251673.db2.gz RPFUIBCQQIIJOX-AWEZNQCLSA-N 1 2 344.484 2.558 40 0 EFABLO Cc1ccsc1C[N@H+]1Cc2ncn(C)c2[C@@H](C(=O)NC2CCC2)C1 ZINC000248052428 474251678 /nfs/dbraw/zinc/25/16/78/474251678.db2.gz RPFUIBCQQIIJOX-AWEZNQCLSA-N 1 2 344.484 2.558 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)o1 ZINC000248105712 474261075 /nfs/dbraw/zinc/26/10/75/474261075.db2.gz PBGAIJSFZGRZBQ-INIZCTEOSA-N 1 2 337.427 2.924 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](CNc3ccccn3)C2)o1 ZINC000248105712 474261079 /nfs/dbraw/zinc/26/10/79/474261079.db2.gz PBGAIJSFZGRZBQ-INIZCTEOSA-N 1 2 337.427 2.924 40 0 EFABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2COc1cccnc1 ZINC000248142849 474269141 /nfs/dbraw/zinc/26/91/41/474269141.db2.gz QSTGYMVACKOTGD-QGZVFWFLSA-N 1 2 340.423 2.760 40 0 EFABLO Cc1c(=O)[nH]c(SCC[N@@H+]2CCO[C@@H](C)C2)nc1-c1ccccc1 ZINC000189481255 474413869 /nfs/dbraw/zinc/41/38/69/474413869.db2.gz MZAMVJLXYKFEPL-ZDUSSCGKSA-N 1 2 345.468 2.558 40 0 EFABLO Cc1c(=O)[nH]c(SCC[N@H+]2CCO[C@@H](C)C2)nc1-c1ccccc1 ZINC000189481255 474413877 /nfs/dbraw/zinc/41/38/77/474413877.db2.gz MZAMVJLXYKFEPL-ZDUSSCGKSA-N 1 2 345.468 2.558 40 0 EFABLO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@@H]3COCC[NH2+]3)c2)C1 ZINC000237508018 474419315 /nfs/dbraw/zinc/41/93/15/474419315.db2.gz ZJAGHNLXZHRAQQ-OLMNPRSZSA-N 1 2 332.444 2.709 40 0 EFABLO Cc1[nH+]c2cc(CNC(=O)[C@@H]3CCc4c[nH]nc4C3)ccc2n1C1CC1 ZINC000283802368 474500119 /nfs/dbraw/zinc/50/01/19/474500119.db2.gz XDKJOPCYPRSIQM-CQSZACIVSA-N 1 2 349.438 2.824 40 0 EFABLO CC(C)n1cc[nH+]c1CNc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 ZINC000241161305 474553587 /nfs/dbraw/zinc/55/35/87/474553587.db2.gz JZUNURXEBXZHTQ-QGZVFWFLSA-N 1 2 342.443 2.673 40 0 EFABLO O=C(/C=C/c1ccoc1)NC[C@@H](c1ccoc1)[NH+]1CCSCC1 ZINC000245020838 474569652 /nfs/dbraw/zinc/56/96/52/474569652.db2.gz MJTNJXXLMDQOIW-INIZCTEOSA-N 1 2 332.425 2.792 40 0 EFABLO C[N@H+](CCOC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000245289588 474573516 /nfs/dbraw/zinc/57/35/16/474573516.db2.gz CUGNSBKKYKETBI-QZTJIDSGSA-N 1 2 345.418 2.833 40 0 EFABLO C[N@@H+](CCOC[C@H]1CCCO1)[C@H](c1ccc(F)cc1)c1ncccn1 ZINC000245289588 474573523 /nfs/dbraw/zinc/57/35/23/474573523.db2.gz CUGNSBKKYKETBI-QZTJIDSGSA-N 1 2 345.418 2.833 40 0 EFABLO c1ccc([C@@H]2OCC[C@H]2Nc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000277704935 474594303 /nfs/dbraw/zinc/59/43/03/474594303.db2.gz GTQHUPQUAIHLQZ-QAPCUYQASA-N 1 2 342.468 2.972 40 0 EFABLO c1ccc([C@@H]2OCC[C@H]2Nc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000277704935 474594307 /nfs/dbraw/zinc/59/43/07/474594307.db2.gz GTQHUPQUAIHLQZ-QAPCUYQASA-N 1 2 342.468 2.972 40 0 EFABLO OC[C@H]1CCCN1c1cc(N2CCC[C@@H]2c2ccsc2)nc[nH+]1 ZINC000267262340 474631607 /nfs/dbraw/zinc/63/16/07/474631607.db2.gz XCQLXOGFSCWAIE-HUUCEWRRSA-N 1 2 330.457 2.841 40 0 EFABLO OC[C@H]1CCCN1c1cc(N2CCC[C@@H]2c2ccsc2)[nH+]cn1 ZINC000267262340 474631609 /nfs/dbraw/zinc/63/16/09/474631609.db2.gz XCQLXOGFSCWAIE-HUUCEWRRSA-N 1 2 330.457 2.841 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCCC[C@@H]1c1ccnn1C ZINC000252480231 474665889 /nfs/dbraw/zinc/66/58/89/474665889.db2.gz BYSQEHMFIXCKKG-MRXNPFEDSA-N 1 2 344.463 2.709 40 0 EFABLO CC[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccc(C)cc1 ZINC000252481314 474667081 /nfs/dbraw/zinc/66/70/81/474667081.db2.gz CITWZZUAIUUUGQ-RCCFBDPRSA-N 1 2 331.460 2.561 40 0 EFABLO CC[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccc(C)cc1 ZINC000252481314 474667090 /nfs/dbraw/zinc/66/70/90/474667090.db2.gz CITWZZUAIUUUGQ-RCCFBDPRSA-N 1 2 331.460 2.561 40 0 EFABLO CC(C)(C)n1ncnc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000253392429 474731990 /nfs/dbraw/zinc/73/19/90/474731990.db2.gz FOSOFBIAIOUPMP-INIZCTEOSA-N 1 2 336.480 2.583 40 0 EFABLO CCOc1ccc([C@@H](COC)NC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000253416776 474743437 /nfs/dbraw/zinc/74/34/37/474743437.db2.gz XQFBDFLHUDLVDE-QGZVFWFLSA-N 1 2 339.395 2.851 40 0 EFABLO Cc1[nH]ncc1C[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000253418723 474744064 /nfs/dbraw/zinc/74/40/64/474744064.db2.gz NFPXDKKIGMYRHH-CYBMUJFWSA-N 1 2 340.349 2.985 40 0 EFABLO COc1cccc([C@@H]2CCCN2c2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000253418635 474745210 /nfs/dbraw/zinc/74/52/10/474745210.db2.gz ZOWBONUBWPTEBU-KRWDZBQOSA-N 1 2 340.427 2.663 40 0 EFABLO COc1cccc([C@@H]2CCCN2c2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000253418635 474745221 /nfs/dbraw/zinc/74/52/21/474745221.db2.gz ZOWBONUBWPTEBU-KRWDZBQOSA-N 1 2 340.427 2.663 40 0 EFABLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nnc(C)s3)ccc2NC1=O ZINC000253417727 474745708 /nfs/dbraw/zinc/74/57/08/474745708.db2.gz ALQBMHDFMNTWEI-TVQRCGJNSA-N 1 2 332.429 2.807 40 0 EFABLO CCC[C@]12CCCN1C(=O)N(C1CCN(c3cccc[nH+]3)CC1)C2=O ZINC000253428767 474754282 /nfs/dbraw/zinc/75/42/82/474754282.db2.gz DWOBSRLKOZESSY-LJQANCHMSA-N 1 2 342.443 2.647 40 0 EFABLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000253431985 474757012 /nfs/dbraw/zinc/75/70/12/474757012.db2.gz ILFAUEPTEDWCER-FOIQADDNSA-N 1 2 337.423 2.851 40 0 EFABLO FC(F)(F)c1cccc(OCCc2cc([C@H]3C[NH2+]CCO3)n[nH]2)c1 ZINC000257283080 474930245 /nfs/dbraw/zinc/93/02/45/474930245.db2.gz OWRZAEPCQLUVCE-OAHLLOKOSA-N 1 2 341.333 2.711 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cn4cc(C)ccc4n3)C2)[nH+]1 ZINC000257291687 474936705 /nfs/dbraw/zinc/93/67/05/474936705.db2.gz QIEKFEGXSABEBD-HNNXBMFYSA-N 1 2 337.427 2.704 40 0 EFABLO COc1cccc(CC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000257294663 474936782 /nfs/dbraw/zinc/93/67/82/474936782.db2.gz QVDMSQZOTZHNQB-QGZVFWFLSA-N 1 2 339.439 2.760 40 0 EFABLO C[N@@H+]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@H]1c1ccccc1 ZINC000257295346 474939430 /nfs/dbraw/zinc/93/94/30/474939430.db2.gz QXYFTODPIYSYEJ-QGZVFWFLSA-N 1 2 348.402 2.922 40 0 EFABLO C[N@H+]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@H]1c1ccccc1 ZINC000257295346 474939434 /nfs/dbraw/zinc/93/94/34/474939434.db2.gz QXYFTODPIYSYEJ-QGZVFWFLSA-N 1 2 348.402 2.922 40 0 EFABLO COc1ccccc1C(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257298731 474940831 /nfs/dbraw/zinc/94/08/31/474940831.db2.gz RNAWOBVSQUSFEJ-OAHLLOKOSA-N 1 2 325.412 2.831 40 0 EFABLO FC(F)(F)c1ccc(OCCc2cc([C@H]3C[NH2+]CCO3)n[nH]2)cc1 ZINC000257300138 474941554 /nfs/dbraw/zinc/94/15/54/474941554.db2.gz RTAXIDKCUHQRML-OAHLLOKOSA-N 1 2 341.333 2.711 40 0 EFABLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@H](Oc3ccc(Cl)cc3)[C@@H]2C1 ZINC000257306857 474944734 /nfs/dbraw/zinc/94/47/34/474944734.db2.gz SWHMHHLNMILIDC-XKQJLSEDSA-N 1 2 345.830 2.853 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)cc[nH+]1 ZINC000257307123 474945541 /nfs/dbraw/zinc/94/55/41/474945541.db2.gz SXHREFMOYGOSAI-CQSZACIVSA-N 1 2 326.400 2.552 40 0 EFABLO Cc1cc(CC2CCN(C(=O)c3ccc4n[nH]nc4c3)CC2)cc[nH+]1 ZINC000257308615 474946231 /nfs/dbraw/zinc/94/62/31/474946231.db2.gz TXJUXKABRMBVRC-UHFFFAOYSA-N 1 2 335.411 2.756 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)[nH+]1 ZINC000257322890 474953495 /nfs/dbraw/zinc/95/34/95/474953495.db2.gz WHVQPJIUSMRXKH-OAHLLOKOSA-N 1 2 330.432 2.672 40 0 EFABLO CCOc1ncccc1C(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257320968 474953737 /nfs/dbraw/zinc/95/37/37/474953737.db2.gz VZNXXJLDOZPPQB-MRXNPFEDSA-N 1 2 340.427 2.919 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)Cn2cnc3ccccc32)cc[nH+]1 ZINC000257324540 474954753 /nfs/dbraw/zinc/95/47/53/474954753.db2.gz WPEPHFBLNDXHSB-MRXNPFEDSA-N 1 2 335.411 2.837 40 0 EFABLO CCOc1ncccc1C(=O)N1CCC[C@H]1c1cc[nH+]c(NC)c1 ZINC000257326672 474955633 /nfs/dbraw/zinc/95/56/33/474955633.db2.gz WYDWVEPCTAACFU-HNNXBMFYSA-N 1 2 326.400 2.894 40 0 EFABLO Cc1nc(-c2nccn2C)cc(C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000257330364 474957825 /nfs/dbraw/zinc/95/78/25/474957825.db2.gz XOBCMPPHSXDWLE-UHFFFAOYSA-N 1 2 334.427 2.965 40 0 EFABLO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000257337957 474962308 /nfs/dbraw/zinc/96/23/08/474962308.db2.gz YVFQCLDKKLNPEF-FQEVSTJZSA-N 1 2 338.455 2.998 40 0 EFABLO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000257337957 474962316 /nfs/dbraw/zinc/96/23/16/474962316.db2.gz YVFQCLDKKLNPEF-FQEVSTJZSA-N 1 2 338.455 2.998 40 0 EFABLO Cc1cn(C)c([C@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)n1 ZINC000257343228 474965660 /nfs/dbraw/zinc/96/56/60/474965660.db2.gz ZRZYWDPOIMGCJQ-GOSISDBHSA-N 1 2 349.438 2.759 40 0 EFABLO Cc1cn(C)c([C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)n1 ZINC000257343228 474965667 /nfs/dbraw/zinc/96/56/67/474965667.db2.gz ZRZYWDPOIMGCJQ-GOSISDBHSA-N 1 2 349.438 2.759 40 0 EFABLO CN(C)c1nccnc1[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257344526 474965905 /nfs/dbraw/zinc/96/59/05/474965905.db2.gz ZXRSKQIXPNQLKB-SFHVURJKSA-N 1 2 349.438 2.664 40 0 EFABLO CN(C)c1nccnc1[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257344526 474965911 /nfs/dbraw/zinc/96/59/11/474965911.db2.gz ZXRSKQIXPNQLKB-SFHVURJKSA-N 1 2 349.438 2.664 40 0 EFABLO C[C@H](O)[C@H]1CCN(c2cc(N3Cc4ccc(Cl)cc4C3)nc[nH+]2)C1 ZINC000334136620 476122334 /nfs/dbraw/zinc/12/23/34/476122334.db2.gz YWYNIQSPVMFKKC-STQMWFEESA-N 1 2 344.846 2.857 40 0 EFABLO C[C@H](O)[C@H]1CCN(c2cc(N3Cc4ccc(Cl)cc4C3)[nH+]cn2)C1 ZINC000334136620 476122341 /nfs/dbraw/zinc/12/23/41/476122341.db2.gz YWYNIQSPVMFKKC-STQMWFEESA-N 1 2 344.846 2.857 40 0 EFABLO O=S(=O)(c1cccs1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000390833450 476804828 /nfs/dbraw/zinc/80/48/28/476804828.db2.gz HPEUAXBOFAMKKZ-UHFFFAOYSA-N 1 2 339.486 2.826 40 0 EFABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1oc2ccccc2c1C ZINC000585094845 479279596 /nfs/dbraw/zinc/27/95/96/479279596.db2.gz PXQCDJWOUDKIBV-CYBMUJFWSA-N 1 2 339.395 2.688 40 0 EFABLO COCCc1c[nH+]c2n1CCN(C(=O)Cc1ccccc1C)[C@@H]2C ZINC000585097334 479281494 /nfs/dbraw/zinc/28/14/94/479281494.db2.gz IVPUSZLIYQPNGL-OAHLLOKOSA-N 1 2 327.428 2.526 40 0 EFABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1cccs1)C2)N1CCCC1 ZINC000585102615 479284121 /nfs/dbraw/zinc/28/41/21/479284121.db2.gz CCQFGPAEPVDTQE-OAHLLOKOSA-N 1 2 349.500 2.535 40 0 EFABLO COc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2ccccn2)CCO3)c1 ZINC000585104111 479286253 /nfs/dbraw/zinc/28/62/53/479286253.db2.gz GCMHCJUJRZUZGB-SFHVURJKSA-N 1 2 340.423 2.903 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)cc1 ZINC000585112600 479288580 /nfs/dbraw/zinc/28/85/80/479288580.db2.gz UDEHUXXHIWZENT-IBGZPJMESA-N 1 2 338.455 2.761 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)cc1 ZINC000585112600 479288590 /nfs/dbraw/zinc/28/85/90/479288590.db2.gz UDEHUXXHIWZENT-IBGZPJMESA-N 1 2 338.455 2.761 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)C3CC3)C2)s1 ZINC000585112339 479289255 /nfs/dbraw/zinc/28/92/55/479289255.db2.gz NHIYYNJOTZZWKZ-OAHLLOKOSA-N 1 2 344.484 2.726 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)C3CC3)C2)s1 ZINC000585112339 479289262 /nfs/dbraw/zinc/28/92/62/479289262.db2.gz NHIYYNJOTZZWKZ-OAHLLOKOSA-N 1 2 344.484 2.726 40 0 EFABLO COC[C@@H](C)NC(=O)c1nc2c(o1)CC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC000585112638 479289389 /nfs/dbraw/zinc/28/93/89/479289389.db2.gz SIZZSRVDURNBGO-ZIAGYGMSSA-N 1 2 343.427 2.559 40 0 EFABLO COC[C@@H](C)NC(=O)c1nc2c(o1)CC[N@H+]([C@H](C)c1ccccc1)C2 ZINC000585112638 479289395 /nfs/dbraw/zinc/28/93/95/479289395.db2.gz SIZZSRVDURNBGO-ZIAGYGMSSA-N 1 2 343.427 2.559 40 0 EFABLO Cc1c[nH]c(-c2ccc(NC(=O)[C@H](C)OC[C@@H]3CCCO3)cc2)[nH+]1 ZINC000585140635 479297803 /nfs/dbraw/zinc/29/78/03/479297803.db2.gz IDPSYLFOFNMTSA-BBRMVZONSA-N 1 2 329.400 2.908 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)c3c(C)onc3C(C)C)C2)cc[nH+]1 ZINC000585181495 479302387 /nfs/dbraw/zinc/30/23/87/479302387.db2.gz LIPNBPAZPCGPPS-HNNXBMFYSA-N 1 2 342.443 3.563 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2coc3cc(C)ccc23)[nH+]1 ZINC000585181446 479302551 /nfs/dbraw/zinc/30/25/51/479302551.db2.gz CCLGQZXWICKCDF-INIZCTEOSA-N 1 2 339.395 2.915 40 0 EFABLO CO[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1Cc1ccccc1 ZINC000585277188 479305631 /nfs/dbraw/zinc/30/56/31/479305631.db2.gz MYLBETMJTCJLIF-ROUUACIJSA-N 1 2 327.428 2.522 40 0 EFABLO O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000575413831 479441864 /nfs/dbraw/zinc/44/18/64/479441864.db2.gz YRXCMOGDTBTYJJ-UHFFFAOYSA-N 1 2 333.775 2.519 40 0 EFABLO COc1ncccc1C(=O)N1CC[C@H](n2c(C)[nH+]c3ccccc32)C1 ZINC000575414709 479442397 /nfs/dbraw/zinc/44/23/97/479442397.db2.gz WHRXBBKQUQZGCM-AWEZNQCLSA-N 1 2 336.395 2.836 40 0 EFABLO O=C(COc1ccccc1F)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575613178 479453645 /nfs/dbraw/zinc/45/36/45/479453645.db2.gz PJZAOPUGAAHYKM-HNNXBMFYSA-N 1 2 330.359 2.670 40 0 EFABLO CC(=O)N1CC[N@@H+](Cc2ccnn2C(C)C)C[C@@H]1c1ccccc1 ZINC000257226486 534795462 /nfs/dbraw/zinc/79/54/62/534795462.db2.gz FKTUQCGJMLEFSL-LJQANCHMSA-N 1 2 326.444 2.869 40 0 EFABLO CC(=O)N1CC[N@H+](Cc2ccnn2C(C)C)C[C@@H]1c1ccccc1 ZINC000257226486 534795466 /nfs/dbraw/zinc/79/54/66/534795466.db2.gz FKTUQCGJMLEFSL-LJQANCHMSA-N 1 2 326.444 2.869 40 0 EFABLO CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000153922021 528729036 /nfs/dbraw/zinc/72/90/36/528729036.db2.gz CWHOEDYZWWUMRT-CVEARBPZSA-N 1 2 344.463 2.528 40 0 EFABLO CC(C)N(C)c1ccc(CNc2ccc(NS(C)(=O)=O)cc2)c[nH+]1 ZINC000191377744 528842908 /nfs/dbraw/zinc/84/29/08/528842908.db2.gz ASWZNCZOHGZAAA-UHFFFAOYSA-N 1 2 348.472 2.910 40 0 EFABLO CC(C)c1cc(C(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)cs1 ZINC000257310833 535366145 /nfs/dbraw/zinc/36/61/45/535366145.db2.gz UGVCCHMSVKONSE-GOSISDBHSA-N 1 2 345.468 2.638 40 0 EFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)COc2ccccc2)cc[nH+]1 ZINC000257267730 536144699 /nfs/dbraw/zinc/14/46/99/536144699.db2.gz MIOHBYSGBZBYCB-KRWDZBQOSA-N 1 2 325.412 2.890 40 0 EFABLO COc1ccc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1F ZINC000257256282 536700281 /nfs/dbraw/zinc/70/02/81/536700281.db2.gz KKUPBBZOCULXND-OAHLLOKOSA-N 1 2 343.402 2.970 40 0 EFABLO Cn1ncc2c1nc(N1C[C@H](c3ccccc3)C3(CCC3)C1)[nH+]c2N ZINC000334111097 545901138 /nfs/dbraw/zinc/90/11/38/545901138.db2.gz BWDWRSJSMAEAIE-OAHLLOKOSA-N 1 2 334.427 2.720 40 0 EFABLO C[C@H](Nc1[nH+]cnc(N)c1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000685915316 550194528 /nfs/dbraw/zinc/19/45/28/550194528.db2.gz BZGIWIRDBGYMBD-QMMMGPOBSA-N 1 2 337.777 2.787 40 0 EFABLO C[C@H](Nc1nc[nH+]c(N)c1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000685915316 550194525 /nfs/dbraw/zinc/19/45/25/550194525.db2.gz BZGIWIRDBGYMBD-QMMMGPOBSA-N 1 2 337.777 2.787 40 0 EFABLO C[N@@H+]1CCc2nc(NC(=O)[C@@]3(c4ccccc4)CCCO3)sc2C1 ZINC000891639344 714892510 /nfs/dbraw/zinc/89/25/10/714892510.db2.gz QNQQBTUOKWGXJA-SFHVURJKSA-N 1 2 343.452 2.775 40 0 EFABLO C[N@H+]1CCc2nc(NC(=O)[C@@]3(c4ccccc4)CCCO3)sc2C1 ZINC000891639344 714892512 /nfs/dbraw/zinc/89/25/12/714892512.db2.gz QNQQBTUOKWGXJA-SFHVURJKSA-N 1 2 343.452 2.775 40 0 EFABLO Cc1nc(Nc2ccccc2)cc(N2CCN(c3ncccn3)CC2)[nH+]1 ZINC000244400195 716314061 /nfs/dbraw/zinc/31/40/61/716314061.db2.gz YJWFHRXFLFPPGJ-UHFFFAOYSA-N 1 2 347.426 2.645 40 0 EFABLO Cc1cc(CNc2ccc3n[nH]c(C(N)=O)c3c2)c2c([nH+]1)CCCC2 ZINC000893239197 720171952 /nfs/dbraw/zinc/17/19/52/720171952.db2.gz QRVKNWGFYCXXQG-UHFFFAOYSA-N 1 2 335.411 2.856 40 0 EFABLO C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCN(c2nccs2)CC1 ZINC000054634907 214247568 /nfs/dbraw/zinc/24/75/68/214247568.db2.gz YVKIPAOHVZKDFV-OAHLLOKOSA-N 1 2 348.516 2.660 40 0 EFABLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000056315604 214369195 /nfs/dbraw/zinc/36/91/95/214369195.db2.gz WMRVKQQKHJKTNK-GFCCVEGCSA-N 1 2 348.403 2.819 40 0 EFABLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000056315604 214369198 /nfs/dbraw/zinc/36/91/98/214369198.db2.gz WMRVKQQKHJKTNK-GFCCVEGCSA-N 1 2 348.403 2.819 40 0 EFABLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Nc2cn[nH]c2)C[C@@H](C)O1 ZINC000098027269 219071318 /nfs/dbraw/zinc/07/13/18/219071318.db2.gz UPMOBOFOOKLQSP-CHWSQXEVSA-N 1 2 329.404 2.663 40 0 EFABLO O=C(Cc1cccs1)N1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000060348154 214632753 /nfs/dbraw/zinc/63/27/53/214632753.db2.gz GFKLQIZJPPCQJA-UHFFFAOYSA-N 1 2 340.452 2.906 40 0 EFABLO Cc1noc(C2C[NH+](Cc3cc(Br)ccc3F)C2)n1 ZINC000049482518 214011697 /nfs/dbraw/zinc/01/16/97/214011697.db2.gz DWRQYXALBLIUKD-UHFFFAOYSA-N 1 2 326.169 2.879 40 0 EFABLO O=C(NCCCCOc1ccccc1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000044896773 213664969 /nfs/dbraw/zinc/66/49/69/213664969.db2.gz OHXCPEBEWXAJFJ-UHFFFAOYSA-N 1 2 336.395 2.856 40 0 EFABLO Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH+]c[nH]3)n2)cc1 ZINC000067898755 215245583 /nfs/dbraw/zinc/24/55/83/215245583.db2.gz DSMZZNMNFPOXKO-INIZCTEOSA-N 1 2 327.363 2.512 40 0 biogenic,in-vitro EFABLO Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c[nH+]3)n2)cc1 ZINC000067898755 215245587 /nfs/dbraw/zinc/24/55/87/215245587.db2.gz DSMZZNMNFPOXKO-INIZCTEOSA-N 1 2 327.363 2.512 40 0 biogenic,in-vitro EFABLO CC(C)(O)c1cc(CC2([NH2+]Cc3ccccc3Cl)COC2)no1 ZINC000067897902 215246065 /nfs/dbraw/zinc/24/60/65/215246065.db2.gz JYYJHQMYKREEIW-UHFFFAOYSA-N 1 2 336.819 2.657 40 0 biogenic,in-vitro EFABLO c1ccc(-c2nnc(NC3=NCCN3C[NH+]3CCCCC3)s2)cc1 ZINC000068604412 215321322 /nfs/dbraw/zinc/32/13/22/215321322.db2.gz ZXHNVFKXAHCSAH-UHFFFAOYSA-N 1 2 342.472 2.732 40 0 EFABLO Cc1ccc(Cn2cccc/c2=N\C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000104327629 219373996 /nfs/dbraw/zinc/37/39/96/219373996.db2.gz NIPAZQFODUSUBX-HLNJFSBGSA-N 1 2 346.434 2.731 40 0 EFABLO O=C(N[C@H]1CCc2ccccc21)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000040047380 213254357 /nfs/dbraw/zinc/25/43/57/213254357.db2.gz BSIJBQIVZGAINF-FQEVSTJZSA-N 1 2 336.435 2.936 40 0 EFABLO CCOC(=O)C(=O)NCC1CCC(c2[nH+]c3ccccc3n2C)CC1 ZINC000038671770 213221076 /nfs/dbraw/zinc/22/10/76/213221076.db2.gz QHZZJSSFFMKFGV-UHFFFAOYSA-N 1 2 343.427 2.526 40 0 EFABLO C[NH+](C)[C@H](CNS(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000036090948 213062121 /nfs/dbraw/zinc/06/21/21/213062121.db2.gz YEWYGBLVDMQHDM-CYBMUJFWSA-N 1 2 344.889 2.983 40 0 EFABLO O=C(c1ccccc1)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350521 216162126 /nfs/dbraw/zinc/16/21/26/216162126.db2.gz RLFMMOQDSNOMJG-MRXNPFEDSA-N 1 2 333.395 2.682 40 0 EFABLO CC(C)c1[nH+]ccn1-c1cncc([C@H]2CCCN(c3ncccn3)C2)n1 ZINC000072355581 216164009 /nfs/dbraw/zinc/16/40/09/216164009.db2.gz XVHPHCXQLBJQSL-HNNXBMFYSA-N 1 2 349.442 2.960 40 0 EFABLO NC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccc(Cl)cc2)C1 ZINC000072361846 216168740 /nfs/dbraw/zinc/16/87/40/216168740.db2.gz DCVVIOXLORVIPY-LBPRGKRZSA-N 1 2 346.818 2.587 40 0 EFABLO NC(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2ccc(Cl)cc2)C1 ZINC000072361846 216168742 /nfs/dbraw/zinc/16/87/42/216168742.db2.gz DCVVIOXLORVIPY-LBPRGKRZSA-N 1 2 346.818 2.587 40 0 EFABLO Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000072369443 216176128 /nfs/dbraw/zinc/17/61/28/216176128.db2.gz VRFZHDJJVAUYHP-MRXNPFEDSA-N 1 2 342.443 2.701 40 0 EFABLO O=C(Cc1ccccc1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378435 216181465 /nfs/dbraw/zinc/18/14/65/216181465.db2.gz GCEBFFUAIFBFME-KRWDZBQOSA-N 1 2 333.395 2.569 40 0 EFABLO Cc1cc(C(=O)NCc2ccccc2F)nc([C@H]2CCC[N@H+]2C)n1 ZINC000072387211 216187119 /nfs/dbraw/zinc/18/71/19/216187119.db2.gz IVKOCTCXBDKDLL-MRXNPFEDSA-N 1 2 328.391 2.621 40 0 EFABLO Cc1cc(C(=O)NCc2ccccc2F)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000072387211 216187122 /nfs/dbraw/zinc/18/71/22/216187122.db2.gz IVKOCTCXBDKDLL-MRXNPFEDSA-N 1 2 328.391 2.621 40 0 EFABLO COCCNc1cc([C@@H]2CC[N@@H+]2Cc2ccc(F)cc2)nc(C)n1 ZINC000072387577 216187168 /nfs/dbraw/zinc/18/71/68/216187168.db2.gz ODXHSNIIBZXDTO-KRWDZBQOSA-N 1 2 330.407 2.929 40 0 EFABLO COCCNc1cc([C@@H]2CC[N@H+]2Cc2ccc(F)cc2)nc(C)n1 ZINC000072387577 216187171 /nfs/dbraw/zinc/18/71/71/216187171.db2.gz ODXHSNIIBZXDTO-KRWDZBQOSA-N 1 2 330.407 2.929 40 0 EFABLO CCc1cc(CNc2cc([C@@H]3C[N@@H+](C(C)C)CCO3)nc(C)n2)on1 ZINC000072387929 216188443 /nfs/dbraw/zinc/18/84/43/216188443.db2.gz FFWUZTACWNUGDN-KRWDZBQOSA-N 1 2 345.447 2.729 40 0 EFABLO CCc1cc(CNc2cc([C@@H]3C[N@H+](C(C)C)CCO3)nc(C)n2)on1 ZINC000072387929 216188444 /nfs/dbraw/zinc/18/84/44/216188444.db2.gz FFWUZTACWNUGDN-KRWDZBQOSA-N 1 2 345.447 2.729 40 0 EFABLO Cc1nc(NC2CCCC2)cc([C@@H]2CCN2Cc2ccnn2C)[nH+]1 ZINC000072387503 216186215 /nfs/dbraw/zinc/18/62/15/216186215.db2.gz QETXEKGCJUDFDJ-KRWDZBQOSA-N 1 2 326.448 2.820 40 0 EFABLO O=C(CCc1ccccc1F)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130422361 223150955 /nfs/dbraw/zinc/15/09/55/223150955.db2.gz KEFFIRBTDDKBNZ-INIZCTEOSA-N 1 2 327.403 2.939 40 0 EFABLO COc1ccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1F ZINC000130788462 223176353 /nfs/dbraw/zinc/17/63/53/223176353.db2.gz UPPHOZSYAXLZHU-AWEZNQCLSA-N 1 2 329.375 2.628 40 0 EFABLO CN(C)c1ccccc1C[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000072632530 216285624 /nfs/dbraw/zinc/28/56/24/216285624.db2.gz NTJDYEZZLVRCOF-HNNXBMFYSA-N 1 2 330.457 2.812 40 0 EFABLO CN(C)c1ccccc1C[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000072632530 216285627 /nfs/dbraw/zinc/28/56/27/216285627.db2.gz NTJDYEZZLVRCOF-HNNXBMFYSA-N 1 2 330.457 2.812 40 0 EFABLO CC(C)c1nc(C(=O)N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)cs1 ZINC000073119242 216351535 /nfs/dbraw/zinc/35/15/35/216351535.db2.gz ZJOZZDAATRALRM-LLVKDONJSA-N 1 2 338.502 2.516 40 0 EFABLO O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000024892550 212445747 /nfs/dbraw/zinc/44/57/47/212445747.db2.gz SANBORMJDMQXCE-UHFFFAOYSA-N 1 2 330.351 2.910 40 0 EFABLO CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cnn(C)c3)CC2)cc1 ZINC000023791780 212395987 /nfs/dbraw/zinc/39/59/87/212395987.db2.gz LFDMHKPRHHDFEE-UHFFFAOYSA-N 1 2 326.444 2.502 40 0 EFABLO C[N@@H+]1CCc2nc(NC(=O)COc3ccc4c(c3)CCC4)sc2C1 ZINC000023606659 212384175 /nfs/dbraw/zinc/38/41/75/212384175.db2.gz ADEDQCHXXVLKKY-UHFFFAOYSA-N 1 2 343.452 2.637 40 0 EFABLO C[N@H+]1CCc2nc(NC(=O)COc3ccc4c(c3)CCC4)sc2C1 ZINC000023606659 212384178 /nfs/dbraw/zinc/38/41/78/212384178.db2.gz ADEDQCHXXVLKKY-UHFFFAOYSA-N 1 2 343.452 2.637 40 0 EFABLO Cc1c(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)[nH]c2c1C(=O)CCC2 ZINC000023608352 212384531 /nfs/dbraw/zinc/38/45/31/212384531.db2.gz RAMQXIFFYIWEKD-UHFFFAOYSA-N 1 2 344.440 2.539 40 0 EFABLO Cc1c(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)[nH]c2c1C(=O)CCC2 ZINC000023608352 212384533 /nfs/dbraw/zinc/38/45/33/212384533.db2.gz RAMQXIFFYIWEKD-UHFFFAOYSA-N 1 2 344.440 2.539 40 0 EFABLO O=S(=O)(Cc1ccccc1F)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022508925 212301738 /nfs/dbraw/zinc/30/17/38/212301738.db2.gz IVZTUFLYDLNCPS-UHFFFAOYSA-N 1 2 345.399 2.631 40 0 EFABLO COc1cccc([C@@H](NC(=O)Nc2cc(C)on2)c2[nH+]ccn2C)c1 ZINC000022357338 212292806 /nfs/dbraw/zinc/29/28/06/212292806.db2.gz UICFODFJSSNFHU-OAHLLOKOSA-N 1 2 341.371 2.636 40 0 EFABLO Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CC[NH+](C)CC1 ZINC000022245969 212285357 /nfs/dbraw/zinc/28/53/57/212285357.db2.gz XKYHNNLSGFDTDX-UHFFFAOYSA-N 1 2 334.420 2.722 40 0 EFABLO O=C(OCc1ccccc1)N1CC[NH2+][C@@H](c2ccc3c(c2)OCO3)C1 ZINC000022115395 212277869 /nfs/dbraw/zinc/27/78/69/212277869.db2.gz WWUOWUBLSLSSJG-MRXNPFEDSA-N 1 2 340.379 2.698 40 0 EFABLO Cc1cc(N)nc(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)[nH+]1 ZINC000022133191 212278691 /nfs/dbraw/zinc/27/86/91/212278691.db2.gz PAXNYNWANROFQH-LLVKDONJSA-N 1 2 334.420 2.646 40 0 EFABLO COc1cccc2c(N3CCN(C(=O)c4ccccn4)CC3)cc[nH+]c12 ZINC000195571581 241020549 /nfs/dbraw/zinc/02/05/49/241020549.db2.gz XGLLYVODPPUWNQ-UHFFFAOYSA-N 1 2 348.406 2.601 40 0 EFABLO CCS(=O)(=O)c1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000195576146 241022534 /nfs/dbraw/zinc/02/25/34/241022534.db2.gz IMPHKGPDDJVZPO-HNNXBMFYSA-N 1 2 345.468 2.814 40 0 EFABLO CS(=O)(=O)c1ccc(NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000195575636 241022708 /nfs/dbraw/zinc/02/27/08/241022708.db2.gz YQRRMBAHXQIPNB-UHFFFAOYSA-N 1 2 327.409 2.888 40 0 EFABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc(F)c1 ZINC000021935035 212265556 /nfs/dbraw/zinc/26/55/56/212265556.db2.gz HZHDWKBXZLUNJB-UHFFFAOYSA-N 1 2 328.387 2.588 40 0 EFABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1ccc(F)cc1 ZINC000224355575 241751125 /nfs/dbraw/zinc/75/11/25/241751125.db2.gz WHPPGDQFOXCTCI-UHFFFAOYSA-N 1 2 343.406 2.924 40 0 EFABLO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2nccs2)CC1)c1ccccc1 ZINC000021335043 212221135 /nfs/dbraw/zinc/22/11/35/212221135.db2.gz MNRGVHHEFHLAAC-HUUCEWRRSA-N 1 2 344.484 2.531 40 0 EFABLO O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)c1ccco1 ZINC000241776886 243001075 /nfs/dbraw/zinc/00/10/75/243001075.db2.gz RTINWWJNGQJVIS-SJORKVTESA-N 1 2 338.411 2.948 40 0 EFABLO O[C@@H](C[C@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)c1ccco1 ZINC000241776886 243001080 /nfs/dbraw/zinc/00/10/80/243001080.db2.gz RTINWWJNGQJVIS-SJORKVTESA-N 1 2 338.411 2.948 40 0 EFABLO Fc1cccc([C@H]2CCC[N@@H+]2Cc2nnnn2CC2CCOCC2)c1 ZINC000242038573 243007234 /nfs/dbraw/zinc/00/72/34/243007234.db2.gz VMFXDSNSMKZJLV-QGZVFWFLSA-N 1 2 345.422 2.576 40 0 EFABLO Fc1cccc([C@H]2CCC[N@H+]2Cc2nnnn2CC2CCOCC2)c1 ZINC000242038573 243007236 /nfs/dbraw/zinc/00/72/36/243007236.db2.gz VMFXDSNSMKZJLV-QGZVFWFLSA-N 1 2 345.422 2.576 40 0 EFABLO Cc1ccc(Cl)cc1-n1ncc2c1nc[nH+]c2N1CCOCC1 ZINC000020662004 212160057 /nfs/dbraw/zinc/16/00/57/212160057.db2.gz ZOKGNFLOLHDTDU-UHFFFAOYSA-N 1 2 329.791 2.614 40 0 EFABLO O=c1c(O)coc(CO)c1[C@@H](Nc1cccc[nH+]1)c1ccc(F)cc1 ZINC000020528635 212143474 /nfs/dbraw/zinc/14/34/74/212143474.db2.gz WASFSLYAOXTSBD-KRWDZBQOSA-N 1 2 342.326 2.573 40 0 EFABLO CC(C)(C)SCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020459615 212133680 /nfs/dbraw/zinc/13/36/80/212133680.db2.gz KEONAQGHNAAHMD-UHFFFAOYSA-N 1 2 336.501 2.780 40 0 EFABLO c1cc2n(n1)C[C@@H](OCC1CCCC1)C[N@@H+](Cc1cccnc1)C2 ZINC000253602176 244034099 /nfs/dbraw/zinc/03/40/99/244034099.db2.gz KCOAPRORJIWXNR-IBGZPJMESA-N 1 2 326.444 2.869 40 0 EFABLO c1cc2n(n1)C[C@@H](OCC1CCCC1)C[N@H+](Cc1cccnc1)C2 ZINC000253602176 244034103 /nfs/dbraw/zinc/03/41/03/244034103.db2.gz KCOAPRORJIWXNR-IBGZPJMESA-N 1 2 326.444 2.869 40 0 EFABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](Oc1cncc(C)n1)CCO2 ZINC000253601542 244034156 /nfs/dbraw/zinc/03/41/56/244034156.db2.gz SYXOPIPDOWVWCP-OAHLLOKOSA-N 1 2 345.468 2.967 40 0 EFABLO Cc1cnc(NCC[C@@H]2CCOC23C[NH+](Cc2cccs2)C3)nc1 ZINC000253600795 244034297 /nfs/dbraw/zinc/03/42/97/244034297.db2.gz YYDFIQYJHZKNFO-OAHLLOKOSA-N 1 2 344.484 2.940 40 0 EFABLO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCNc2ncc(C)cn2)o1 ZINC000253600279 244035267 /nfs/dbraw/zinc/03/52/67/244035267.db2.gz ITDLLUKTSVRGFZ-MRXNPFEDSA-N 1 2 342.443 2.780 40 0 EFABLO O=C1CCCN1CC[C@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2 ZINC000253616729 244040136 /nfs/dbraw/zinc/04/01/36/244040136.db2.gz CHFXVOUKKODBHQ-INIZCTEOSA-N 1 2 348.874 2.943 40 0 EFABLO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020456275 212131930 /nfs/dbraw/zinc/13/19/30/212131930.db2.gz CJMLZGLPBZZVMM-XBXARRHUSA-N 1 2 347.374 2.931 40 0 EFABLO CN(C)c1cc([C@H]2CCCN2S(=O)(=O)c2cccs2)cc[nH+]1 ZINC000257203274 244127327 /nfs/dbraw/zinc/12/73/27/244127327.db2.gz APHQLDPKNDSAJQ-CYBMUJFWSA-N 1 2 337.470 2.735 40 0 EFABLO CNC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2C)C1 ZINC000257219141 244177393 /nfs/dbraw/zinc/17/73/93/244177393.db2.gz DFTSQXVQSLZDBZ-OAHLLOKOSA-N 1 2 340.427 2.503 40 0 EFABLO CNC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2C)C1 ZINC000257219141 244177400 /nfs/dbraw/zinc/17/74/00/244177400.db2.gz DFTSQXVQSLZDBZ-OAHLLOKOSA-N 1 2 340.427 2.503 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)[nH+]1 ZINC000257218062 244175608 /nfs/dbraw/zinc/17/56/08/244175608.db2.gz DBRYLDZHZQGQKB-GFCCVEGCSA-N 1 2 336.823 2.709 40 0 EFABLO CCCn1cc(C[N@@H+]2CCCC[C@@H]2c2ccnc(N(C)C)n2)cn1 ZINC000257211112 244148693 /nfs/dbraw/zinc/14/86/93/244148693.db2.gz BXNJQOZXFQQZGH-QGZVFWFLSA-N 1 2 328.464 2.876 40 0 EFABLO CCCn1cc(C[N@H+]2CCCC[C@@H]2c2ccnc(N(C)C)n2)cn1 ZINC000257211112 244148698 /nfs/dbraw/zinc/14/86/98/244148698.db2.gz BXNJQOZXFQQZGH-QGZVFWFLSA-N 1 2 328.464 2.876 40 0 EFABLO CCCn1cc(C[N@@H+]2CCCC[C@H]2c2ccnc(N(C)C)n2)cn1 ZINC000257211111 244150615 /nfs/dbraw/zinc/15/06/15/244150615.db2.gz BXNJQOZXFQQZGH-KRWDZBQOSA-N 1 2 328.464 2.876 40 0 EFABLO CCCn1cc(C[N@H+]2CCCC[C@H]2c2ccnc(N(C)C)n2)cn1 ZINC000257211111 244150618 /nfs/dbraw/zinc/15/06/18/244150618.db2.gz BXNJQOZXFQQZGH-KRWDZBQOSA-N 1 2 328.464 2.876 40 0 EFABLO Cc1cc2nc(C3CC[NH+](Cc4cccc(C)n4)CC3)cc(=O)n2[nH]1 ZINC000257212075 244152104 /nfs/dbraw/zinc/15/21/04/244152104.db2.gz CBVFWYMXXUTIIJ-UHFFFAOYSA-N 1 2 337.427 2.826 40 0 EFABLO Cc1cc(N2CCC[C@@](C)(C(=O)NCCc3ccccc3)C2)nc[nH+]1 ZINC000257212720 244156911 /nfs/dbraw/zinc/15/69/11/244156911.db2.gz CERCCOXCXDUOSE-HXUWFJFHSA-N 1 2 338.455 2.750 40 0 EFABLO Cn1c[nH+]cc1-c1cccc(C[C@@H]2CCN(C(=O)C(C)(C)C)C2)n1 ZINC000257215224 244163052 /nfs/dbraw/zinc/16/30/52/244163052.db2.gz CPFAIUZWLODXML-AWEZNQCLSA-N 1 2 326.444 2.919 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)Cc2csc(C)n2)CC[N@@H+]1C ZINC000257214743 244163303 /nfs/dbraw/zinc/16/33/03/244163303.db2.gz CNGAJWCMTRMRNE-MRXNPFEDSA-N 1 2 345.468 2.518 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)Cc2csc(C)n2)CC[N@H+]1C ZINC000257214743 244163309 /nfs/dbraw/zinc/16/33/09/244163309.db2.gz CNGAJWCMTRMRNE-MRXNPFEDSA-N 1 2 345.468 2.518 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)CCn2ncc3ccccc32)[nH+]1 ZINC000257217356 244169234 /nfs/dbraw/zinc/16/92/34/244169234.db2.gz CYPOAHCLEFZCHY-KRWDZBQOSA-N 1 2 337.427 2.832 40 0 EFABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)Nc3ccccc3)C2)nc[nH+]1 ZINC000257224648 244195664 /nfs/dbraw/zinc/19/56/64/244195664.db2.gz FCSQAIGLSOLPEF-IBGZPJMESA-N 1 2 339.443 2.788 40 0 EFABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)Nc3ccccc3)C2)[nH+]cn1 ZINC000257224648 244195671 /nfs/dbraw/zinc/19/56/71/244195671.db2.gz FCSQAIGLSOLPEF-IBGZPJMESA-N 1 2 339.443 2.788 40 0 EFABLO CN(C)c1cc([C@H]2CCCN2C(=O)Cn2cnc3ccccc32)cc[nH+]1 ZINC000257228075 244207058 /nfs/dbraw/zinc/20/70/58/244207058.db2.gz FSEMVPBMIYLYSA-QGZVFWFLSA-N 1 2 349.438 2.861 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)c3c[nH]c(=O)c(Cl)c3)C2)cc[nH+]1 ZINC000257230171 244209111 /nfs/dbraw/zinc/20/91/11/244209111.db2.gz GBDSEEZSTCLLQX-GFCCVEGCSA-N 1 2 346.818 2.897 40 0 EFABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCN(C(=O)C(C)(C)C)C3)n2)n1C ZINC000257230338 244210835 /nfs/dbraw/zinc/21/08/35/244210835.db2.gz GBUOHYVRGPAGAY-AWEZNQCLSA-N 1 2 341.459 2.623 40 0 EFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)[nH+]1 ZINC000257244533 244253174 /nfs/dbraw/zinc/25/31/74/244253174.db2.gz ILTWOFTVDRSEFX-ZDUSSCGKSA-N 1 2 328.416 2.582 40 0 EFABLO COc1cccc(C[N@@H+]2CCO[C@H](CCc3cc(C)ncn3)C2)c1F ZINC000257244141 244253953 /nfs/dbraw/zinc/25/39/53/244253953.db2.gz IKAPZDDUKZSDFW-QGZVFWFLSA-N 1 2 345.418 2.766 40 0 EFABLO COc1cccc(C[N@H+]2CCO[C@H](CCc3cc(C)ncn3)C2)c1F ZINC000257244141 244253958 /nfs/dbraw/zinc/25/39/58/244253958.db2.gz IKAPZDDUKZSDFW-QGZVFWFLSA-N 1 2 345.418 2.766 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)[nH+]1 ZINC000257232663 244217620 /nfs/dbraw/zinc/21/76/20/244217620.db2.gz GLWHIKLHWHJLHT-OAHLLOKOSA-N 1 2 325.416 2.691 40 0 EFABLO Cn1cncc1-c1cncc(C[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257237437 244231781 /nfs/dbraw/zinc/23/17/81/244231781.db2.gz HGLQKTVUVWBIEE-HNNXBMFYSA-N 1 2 334.427 2.731 40 0 EFABLO Cc1nc(N2CCC[C@](C)(C(=O)NCCc3ccccc3)C2)cc[nH+]1 ZINC000257253109 244274134 /nfs/dbraw/zinc/27/41/34/244274134.db2.gz JXPIEQIJFUKLSE-FQEVSTJZSA-N 1 2 338.455 2.750 40 0 EFABLO Cc1ccc(C(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)c(=O)[nH]1 ZINC000257256318 244280806 /nfs/dbraw/zinc/28/08/06/244280806.db2.gz KKYNCVMEAPHCQE-OAHLLOKOSA-N 1 2 326.400 2.534 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000257255861 244280990 /nfs/dbraw/zinc/28/09/90/244280990.db2.gz KJEVJEJGJLEWBP-ZDUSSCGKSA-N 1 2 325.821 2.897 40 0 EFABLO O=C(c1cnc(C2CC2)nc1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257255597 244282037 /nfs/dbraw/zinc/28/20/37/244282037.db2.gz KIDIKYUENVGKEM-KRWDZBQOSA-N 1 2 345.406 2.948 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(CC(C)C)nn3C)C2)[nH+]1 ZINC000257258034 244287269 /nfs/dbraw/zinc/28/72/69/244287269.db2.gz KSDDMADFPIGHIT-HNNXBMFYSA-N 1 2 343.475 2.680 40 0 EFABLO COc1ccc([C@@H]2CN(C(=O)c3ccc(C)nc3)CC[N@@H+]2C)cc1 ZINC000257259065 244290379 /nfs/dbraw/zinc/29/03/79/244290379.db2.gz KWSFBNUTPLEIQC-SFHVURJKSA-N 1 2 325.412 2.528 40 0 EFABLO COc1ccc([C@@H]2CN(C(=O)c3ccc(C)nc3)CC[N@H+]2C)cc1 ZINC000257259065 244290384 /nfs/dbraw/zinc/29/03/84/244290384.db2.gz KWSFBNUTPLEIQC-SFHVURJKSA-N 1 2 325.412 2.528 40 0 EFABLO O=C(CCc1nc2ccccc2[nH]1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257265731 244361615 /nfs/dbraw/zinc/36/16/15/244361615.db2.gz MABBXKNYSYADEW-HNNXBMFYSA-N 1 2 349.438 2.676 40 0 EFABLO Cc1cc(NC2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)nc[nH+]1 ZINC000257268607 244370636 /nfs/dbraw/zinc/37/06/36/244370636.db2.gz MMKDXFLOSZNAMU-UHFFFAOYSA-N 1 2 342.468 2.882 40 0 EFABLO CCCn1cc(C[N@@H+]2CCN(C(C)=O)[C@@H](c3ccccc3)C2)cn1 ZINC000257263340 244353490 /nfs/dbraw/zinc/35/34/90/244353490.db2.gz LPKVPFSMDPKZRO-LJQANCHMSA-N 1 2 326.444 2.699 40 0 EFABLO CCCn1cc(C[N@H+]2CCN(C(C)=O)[C@@H](c3ccccc3)C2)cn1 ZINC000257263340 244353494 /nfs/dbraw/zinc/35/34/94/244353494.db2.gz LPKVPFSMDPKZRO-LJQANCHMSA-N 1 2 326.444 2.699 40 0 EFABLO Cc1ncsc1C(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257264631 244357855 /nfs/dbraw/zinc/35/78/55/244357855.db2.gz LVJLZFWIUAZXPS-AWEZNQCLSA-N 1 2 330.457 2.932 40 0 EFABLO CCCn1ccc(C(=O)N2CCC[C@@H](c3cc[nH+]c(NC)c3)C2)n1 ZINC000257272386 244384476 /nfs/dbraw/zinc/38/44/76/244384476.db2.gz NCFCZLBAOIUWSA-OAHLLOKOSA-N 1 2 327.432 2.750 40 0 EFABLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257273905 244387169 /nfs/dbraw/zinc/38/71/69/244387169.db2.gz NIRZJGOOQPEPIU-HNNXBMFYSA-N 1 2 335.415 2.686 40 0 EFABLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257273905 244387174 /nfs/dbraw/zinc/38/71/74/244387174.db2.gz NIRZJGOOQPEPIU-HNNXBMFYSA-N 1 2 335.415 2.686 40 0 EFABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2ocnc2C)cc1 ZINC000257276885 244393447 /nfs/dbraw/zinc/39/34/47/244393447.db2.gz NVNJPBXZHLLJPQ-HNNXBMFYSA-N 1 2 338.367 2.585 40 0 EFABLO Cc1cc2nc(C3CC[NH+](Cc4ncccc4C)CC3)cc(=O)n2[nH]1 ZINC000257278251 244398966 /nfs/dbraw/zinc/39/89/66/244398966.db2.gz OBMUSWOYFRBJEC-UHFFFAOYSA-N 1 2 337.427 2.826 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc(=O)c3ccccc3o2)[nH+]1 ZINC000257287445 244424407 /nfs/dbraw/zinc/42/44/07/244424407.db2.gz PQAIGEZEIWVVIM-CQSZACIVSA-N 1 2 337.379 2.812 40 0 EFABLO CC(C)CNC(=O)c1cc([C@H]2C[N@H+](C)CCO2)nc2ccccc21 ZINC000019759603 212062312 /nfs/dbraw/zinc/06/23/12/212062312.db2.gz FFPWMTULLJDORM-GOSISDBHSA-N 1 2 327.428 2.624 40 0 EFABLO CC(C)CNC(=O)c1cc([C@H]2C[N@@H+](C)CCO2)nc2ccccc21 ZINC000019759603 212062313 /nfs/dbraw/zinc/06/23/13/212062313.db2.gz FFPWMTULLJDORM-GOSISDBHSA-N 1 2 327.428 2.624 40 0 EFABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1CCOc1ccc(C)cc1 ZINC000019719731 212057565 /nfs/dbraw/zinc/05/75/65/212057565.db2.gz WEVACAJNOCWVFD-UHFFFAOYSA-N 1 2 340.383 2.837 40 0 EFABLO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2nccs2)cc1OC ZINC000019657763 212054885 /nfs/dbraw/zinc/05/48/85/212054885.db2.gz SIPACJVLWALQOJ-CYBMUJFWSA-N 1 2 347.440 2.936 40 0 EFABLO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2nccs2)cc1OC ZINC000019657763 212054888 /nfs/dbraw/zinc/05/48/88/212054888.db2.gz SIPACJVLWALQOJ-CYBMUJFWSA-N 1 2 347.440 2.936 40 0 EFABLO O=C(C[NH+]1CCC(Oc2ccc(F)cc2)CC1)Nc1nccs1 ZINC000019657751 212054107 /nfs/dbraw/zinc/05/41/07/212054107.db2.gz OEYGQGBGBUVQTF-UHFFFAOYSA-N 1 2 335.404 2.764 40 0 EFABLO COc1cccc(C[N@H+]2CCN(C(=O)c3c(C)noc3C)[C@@H](C)C2)c1 ZINC000019580096 212047662 /nfs/dbraw/zinc/04/76/62/212047662.db2.gz JDDWTTJUOKLISS-ZDUSSCGKSA-N 1 2 343.427 2.647 40 0 EFABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3c(C)noc3C)[C@@H](C)C2)c1 ZINC000019580096 212047659 /nfs/dbraw/zinc/04/76/59/212047659.db2.gz JDDWTTJUOKLISS-ZDUSSCGKSA-N 1 2 343.427 2.647 40 0 EFABLO Cc1cc(C)n([C@@H](C)CC(=O)N2CCCN(c3cccc[nH+]3)CC2)n1 ZINC000019572908 212045680 /nfs/dbraw/zinc/04/56/80/212045680.db2.gz BCMOLTRGSZUTCC-KRWDZBQOSA-N 1 2 341.459 2.585 40 0 EFABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1coc2c1ccc(C)c2C ZINC000019500390 212034244 /nfs/dbraw/zinc/03/42/44/212034244.db2.gz VVXIPWHVFAGPNO-QGZVFWFLSA-N 1 2 344.455 2.819 40 0 EFABLO C[C@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)n1cccn1 ZINC000019455428 212030253 /nfs/dbraw/zinc/03/02/53/212030253.db2.gz SYYMBATUVISZAO-DYVFJYSZSA-N 1 2 341.390 2.613 40 0 EFABLO C[C@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)n1cccn1 ZINC000019455432 212030021 /nfs/dbraw/zinc/03/00/21/212030021.db2.gz SYYMBATUVISZAO-CXAGYDPISA-N 1 2 341.390 2.613 40 0 EFABLO COc1cccc(C[N@@H+](Cc2cnn(C)c2)C[C@H]2CCCO2)c1OC ZINC000019290621 212012225 /nfs/dbraw/zinc/01/22/25/212012225.db2.gz JDMMFGHXXLZGNU-QGZVFWFLSA-N 1 2 345.443 2.619 40 0 EFABLO COc1cccc(C[N@H+](Cc2cnn(C)c2)C[C@H]2CCCO2)c1OC ZINC000019290621 212012230 /nfs/dbraw/zinc/01/22/30/212012230.db2.gz JDMMFGHXXLZGNU-QGZVFWFLSA-N 1 2 345.443 2.619 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(F)cc1 ZINC000019291202 212012078 /nfs/dbraw/zinc/01/20/78/212012078.db2.gz UPDNREKEGSXQEY-JWZBEHFJSA-N 1 2 325.387 2.977 40 0 EFABLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000078403011 217048861 /nfs/dbraw/zinc/04/88/61/217048861.db2.gz IIQLWDXAKOKBSD-MAUKXSAKSA-N 1 2 335.411 2.755 40 0 EFABLO Cc1cc(C)n(-c2ccc(-c3noc([C@H](C)n4cc[nH+]c4)n3)cn2)n1 ZINC000078774674 217118538 /nfs/dbraw/zinc/11/85/38/217118538.db2.gz WFAZXBOQNQAZGM-ZDUSSCGKSA-N 1 2 335.371 2.740 40 0 EFABLO C[C@@H](c1ccc(Br)cc1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000079028602 217177894 /nfs/dbraw/zinc/17/78/94/217177894.db2.gz VBZGRZVHFKLBNA-NSHDSACASA-N 1 2 326.238 2.597 40 0 EFABLO C[C@@H](c1ccc(Br)cc1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000079028602 217177897 /nfs/dbraw/zinc/17/78/97/217177897.db2.gz VBZGRZVHFKLBNA-NSHDSACASA-N 1 2 326.238 2.597 40 0 EFABLO COc1cc(F)c([C@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1OC ZINC000079311874 217207424 /nfs/dbraw/zinc/20/74/24/217207424.db2.gz ZPTRMFSATRSJMS-APPDUMDISA-N 1 2 332.375 2.720 40 0 EFABLO O=C(CCn1cc[nH+]c1)NCc1ccc(OCC(F)(F)F)cc1 ZINC000079338317 217210979 /nfs/dbraw/zinc/21/09/79/217210979.db2.gz XSJRJAQGBKDNRU-UHFFFAOYSA-N 1 2 327.306 2.531 40 0 EFABLO CCc1nnsc1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000079352063 217212818 /nfs/dbraw/zinc/21/28/18/217212818.db2.gz DUNSJEIYLCRBKV-UHFFFAOYSA-N 1 2 343.412 2.628 40 0 EFABLO COCc1ccccc1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000079353524 217213870 /nfs/dbraw/zinc/21/38/70/217213870.db2.gz KSTYVFXTTJSPGG-MRXNPFEDSA-N 1 2 339.439 2.747 40 0 EFABLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)[nH]n1 ZINC000266146924 248128926 /nfs/dbraw/zinc/12/89/26/248128926.db2.gz MNRXPSVLKAUZIH-ZDUSSCGKSA-N 1 2 332.835 2.891 40 0 EFABLO Cc1ccc(-n2cc[nH+]c2N2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000012444645 211384420 /nfs/dbraw/zinc/38/44/20/211384420.db2.gz UBRKXGNLFCEZSN-UHFFFAOYSA-N 1 2 326.444 2.875 40 0 EFABLO CCc1ccc(C[N@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cc1 ZINC000012120661 211299541 /nfs/dbraw/zinc/29/95/41/211299541.db2.gz INJCAUIJZHPMCM-UHFFFAOYSA-N 1 2 346.434 2.953 40 0 EFABLO CCc1ccc(C[N@@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)cc1 ZINC000012120661 211299538 /nfs/dbraw/zinc/29/95/38/211299538.db2.gz INJCAUIJZHPMCM-UHFFFAOYSA-N 1 2 346.434 2.953 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccncc1)c1ccc(F)c(F)c1 ZINC000012114991 211293837 /nfs/dbraw/zinc/29/38/37/211293837.db2.gz JLTJHPWUYMJYPB-HNNXBMFYSA-N 1 2 328.322 2.613 40 0 EFABLO CCN(CC)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(OC)c1OC ZINC000012114963 211293683 /nfs/dbraw/zinc/29/36/83/211293683.db2.gz ISPAITOVOIPMCR-HNNXBMFYSA-N 1 2 346.431 2.578 40 0 EFABLO COc1ccc(C2CC[NH+](CC(=O)Nc3nccs3)CC2)cc1 ZINC000012113921 211293216 /nfs/dbraw/zinc/29/32/16/211293216.db2.gz VAPTXJZSUGNFND-UHFFFAOYSA-N 1 2 331.441 2.970 40 0 EFABLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)Nc1ccccc1F ZINC000012114402 211292483 /nfs/dbraw/zinc/29/24/83/211292483.db2.gz VLYPFSDSYDQBCW-FSWDVZBNSA-N 1 2 344.386 2.872 40 0 EFABLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)Nc1ccccc1F ZINC000012114402 211292486 /nfs/dbraw/zinc/29/24/86/211292486.db2.gz VLYPFSDSYDQBCW-FSWDVZBNSA-N 1 2 344.386 2.872 40 0 EFABLO O=C(C1CC1)N1CCN(c2[nH+]ccn2-c2cccc(Cl)c2)CC1 ZINC000011695700 211238172 /nfs/dbraw/zinc/23/81/72/211238172.db2.gz PLYHUGJFYJKAPO-UHFFFAOYSA-N 1 2 330.819 2.584 40 0 EFABLO COc1ccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c(OC)c1 ZINC000093413080 218222328 /nfs/dbraw/zinc/22/23/28/218222328.db2.gz FTNRFENDMXPXHZ-INIZCTEOSA-N 1 2 341.455 2.978 40 0 EFABLO COc1ccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c(OC)c1 ZINC000093413081 218223340 /nfs/dbraw/zinc/22/33/40/218223340.db2.gz FTNRFENDMXPXHZ-MRXNPFEDSA-N 1 2 341.455 2.978 40 0 EFABLO COc1cccc(C[NH+]2CCN(c3ncccc3F)CC2)c1OC ZINC000093687510 218241837 /nfs/dbraw/zinc/24/18/37/218241837.db2.gz FWWXMLSDQQAQGY-UHFFFAOYSA-N 1 2 331.391 2.560 40 0 EFABLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000095432338 218374535 /nfs/dbraw/zinc/37/45/35/218374535.db2.gz ZJOYAYOGCSDAKW-JSGCOSHPSA-N 1 2 329.366 2.630 40 0 EFABLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000095432338 218374537 /nfs/dbraw/zinc/37/45/37/218374537.db2.gz ZJOYAYOGCSDAKW-JSGCOSHPSA-N 1 2 329.366 2.630 40 0 EFABLO CCOC[C@@H]1C[N@H+](Cc2ccccn2)Cc2nn(CC3CC3)cc21 ZINC000096060484 218553974 /nfs/dbraw/zinc/55/39/74/218553974.db2.gz KITSHMNHXUIMET-INIZCTEOSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2nn(CC3CC3)cc21 ZINC000096060484 218553976 /nfs/dbraw/zinc/55/39/76/218553976.db2.gz KITSHMNHXUIMET-INIZCTEOSA-N 1 2 326.444 2.824 40 0 EFABLO Cc1cccc2[nH+]c(CNC(=O)N(C)Cc3cc(Cl)cn3C)cn21 ZINC000096462929 218845796 /nfs/dbraw/zinc/84/57/96/218845796.db2.gz CIRIZJYDMGZPJM-UHFFFAOYSA-N 1 2 345.834 2.976 40 0 EFABLO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000004967552 210341832 /nfs/dbraw/zinc/34/18/32/210341832.db2.gz VBWFUJBANZVJRM-YJBOKZPZSA-N 1 2 348.462 2.804 40 0 EFABLO Fc1cccc(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1 ZINC000004942002 210332764 /nfs/dbraw/zinc/33/27/64/210332764.db2.gz QEUVDTPFACAJOF-UHFFFAOYSA-N 1 2 328.395 2.955 40 0 EFABLO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@H](C)[C@H]3CCCO3)s2)cc1 ZINC000097374242 219017043 /nfs/dbraw/zinc/01/70/43/219017043.db2.gz TYMMSDQULXDLJQ-TZMCWYRMSA-N 1 2 346.456 2.756 40 0 EFABLO COc1c(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)c(C)nn1C ZINC000097375518 219018017 /nfs/dbraw/zinc/01/80/17/219018017.db2.gz VKQOHTAJNROCSP-QGZVFWFLSA-N 1 2 329.444 2.571 40 0 EFABLO COc1c(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c(C)nn1C ZINC000097375518 219018019 /nfs/dbraw/zinc/01/80/19/219018019.db2.gz VKQOHTAJNROCSP-QGZVFWFLSA-N 1 2 329.444 2.571 40 0 EFABLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2ccc(OC)nn2)c1 ZINC000330032032 258002660 /nfs/dbraw/zinc/00/26/60/258002660.db2.gz HIQRALBLZZJJRT-MRXNPFEDSA-N 1 2 329.400 2.840 40 0 EFABLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(OC)nn2)c1 ZINC000330032032 258002662 /nfs/dbraw/zinc/00/26/62/258002662.db2.gz HIQRALBLZZJJRT-MRXNPFEDSA-N 1 2 329.400 2.840 40 0 EFABLO CCC(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000056945351 132198277 /nfs/dbraw/zinc/19/82/77/132198277.db2.gz UTZJQESAYLAQSH-QGZVFWFLSA-N 1 2 327.428 2.669 40 0 EFABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCN(c2ccccc2)CC1 ZINC000038836095 132397112 /nfs/dbraw/zinc/39/71/12/132397112.db2.gz YCSKXBKIZLJLAX-UHFFFAOYSA-N 1 2 346.434 2.894 40 0 EFABLO Cc1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1F ZINC000170940311 544862897 /nfs/dbraw/zinc/86/28/97/544862897.db2.gz FKERAWMTZFSDIN-UHFFFAOYSA-N 1 2 345.399 2.798 40 0 EFABLO Cc1[nH+]c2cc(CNC(=O)[C@H]3CCc4c[nH]nc4C3)ccc2n1C1CC1 ZINC000283802365 273761440 /nfs/dbraw/zinc/76/14/40/273761440.db2.gz XDKJOPCYPRSIQM-AWEZNQCLSA-N 1 2 349.438 2.824 40 0 EFABLO C[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)c1cccs1 ZINC000286851163 274286706 /nfs/dbraw/zinc/28/67/06/274286706.db2.gz NASHAAWSWYAINM-IUODEOHRSA-N 1 2 333.457 2.869 40 0 EFABLO CN(Cc1[nH+]ccn1C)C(=O)CCc1ccc(Br)cc1 ZINC000097212856 277000114 /nfs/dbraw/zinc/00/01/14/277000114.db2.gz SCSJALXYBSVYRZ-UHFFFAOYSA-N 1 2 336.233 2.774 40 0 EFABLO Cc1cn(C)c([C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257247136 279000217 /nfs/dbraw/zinc/00/02/17/279000217.db2.gz IXRDYGLTSAIVHE-SFHVURJKSA-N 1 2 325.412 2.578 40 0 EFABLO Cc1cn(C)c([C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257247136 279000218 /nfs/dbraw/zinc/00/02/18/279000218.db2.gz IXRDYGLTSAIVHE-SFHVURJKSA-N 1 2 325.412 2.578 40 0 EFABLO CCOC[C@H]1CN(C(=O)c2ccoc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045123 279751499 /nfs/dbraw/zinc/75/14/99/279751499.db2.gz YXIKKCBFEMABIU-OAHLLOKOSA-N 1 2 329.400 2.662 40 0 EFABLO C[C@H]1c2nc(C(=O)NCc3cccs3)cn2CC[N@H+]1CC1CC1 ZINC000253590347 280136505 /nfs/dbraw/zinc/13/65/05/280136505.db2.gz AMYVPTWZZLTFOB-LBPRGKRZSA-N 1 2 330.457 2.661 40 0 EFABLO C[C@H]1c2nc(C(=O)NCc3cccs3)cn2CC[N@@H+]1CC1CC1 ZINC000253590347 280136512 /nfs/dbraw/zinc/13/65/12/280136512.db2.gz AMYVPTWZZLTFOB-LBPRGKRZSA-N 1 2 330.457 2.661 40 0 EFABLO O=C(c1ccsc1)N1CC[C@@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219077 280223867 /nfs/dbraw/zinc/22/38/67/280223867.db2.gz HQKFHBUBJDVWAV-RHSMWYFYSA-N 1 2 329.425 2.629 40 0 EFABLO CCc1cnc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)s1 ZINC000174602327 288605000 /nfs/dbraw/zinc/60/50/00/288605000.db2.gz DVUPMBRZJFXFEO-INIZCTEOSA-N 1 2 345.468 2.842 40 0 EFABLO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1nc3ccccc3n1C(C)C)C2 ZINC000019576645 293348081 /nfs/dbraw/zinc/34/80/81/293348081.db2.gz DSVFLNKOHRFZKP-UHFFFAOYSA-N 1 2 337.427 2.980 40 0 EFABLO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1nc3ccccc3n1C(C)C)C2 ZINC000019576645 293348083 /nfs/dbraw/zinc/34/80/83/293348083.db2.gz DSVFLNKOHRFZKP-UHFFFAOYSA-N 1 2 337.427 2.980 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@@H+]1CCC(F)(F)F ZINC000257271325 295392009 /nfs/dbraw/zinc/39/20/09/295392009.db2.gz MXVPRZJVRVBIEU-AWEZNQCLSA-N 1 2 330.350 2.853 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(C)=O)CC[N@H+]1CCC(F)(F)F ZINC000257271325 295392010 /nfs/dbraw/zinc/39/20/10/295392010.db2.gz MXVPRZJVRVBIEU-AWEZNQCLSA-N 1 2 330.350 2.853 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2c(C)oc3c2CCCC3)[nH+]1 ZINC000257333903 301024289 /nfs/dbraw/zinc/02/42/89/301024289.db2.gz YDPRXDAMGIDXBT-AWEZNQCLSA-N 1 2 329.400 2.712 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3oc(C)cc3c2)[nH+]1 ZINC000257296933 301024576 /nfs/dbraw/zinc/02/45/76/301024576.db2.gz RFBXWLCCPFNXIJ-HNNXBMFYSA-N 1 2 325.368 2.986 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2csc3c2CCCC3)[nH+]1 ZINC000257225817 301024638 /nfs/dbraw/zinc/02/46/38/301024638.db2.gz FHYCESTVXVPZIC-AWEZNQCLSA-N 1 2 331.441 2.872 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2oc3ccccc3c2C)[nH+]1 ZINC000257213436 301025323 /nfs/dbraw/zinc/02/53/23/301025323.db2.gz CHORNKUVZARWPZ-CQSZACIVSA-N 1 2 325.368 2.986 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000097234229 323213922 /nfs/dbraw/zinc/21/39/22/323213922.db2.gz FYFRWGJIKUHXTN-HNNXBMFYSA-N 1 2 330.436 2.699 40 0 EFABLO [NH3+][C@H](c1nc(-c2cc(Br)ccc2O)n[nH]1)c1ccccc1 ZINC000095533438 473221718 /nfs/dbraw/zinc/22/17/18/473221718.db2.gz ZDNIXHNGQRHALG-ZDUSSCGKSA-N 1 2 345.200 2.988 40 0 EFABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3ccc(OC)c(OC)c3)[nH]2)c1 ZINC000095533581 473221752 /nfs/dbraw/zinc/22/17/52/473221752.db2.gz GLXSHKPZLUXLIV-MRXNPFEDSA-N 1 2 340.383 2.546 40 0 EFABLO CCOc1cc([C@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)ccc1OC ZINC000095534384 473223328 /nfs/dbraw/zinc/22/33/28/473223328.db2.gz CGXQPSDKTGNCAN-INIZCTEOSA-N 1 2 340.383 2.633 40 0 EFABLO CCOc1ccc([C@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)cc1OCC ZINC000095534594 473223549 /nfs/dbraw/zinc/22/35/49/473223549.db2.gz NORSXFZMTVZFCK-HIFRSBDPSA-N 1 2 332.404 2.502 40 0 EFABLO CC(C)(C)OC(=O)N1C[C@H]2CC(=O)C[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000095644335 473224073 /nfs/dbraw/zinc/22/40/73/473224073.db2.gz MNUXBVXVOYGWFN-IYBDPMFKSA-N 1 2 330.428 2.839 40 0 EFABLO CC(C)(C)OC(=O)N1C[C@H]2CC(=O)C[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000095644335 473224078 /nfs/dbraw/zinc/22/40/78/473224078.db2.gz MNUXBVXVOYGWFN-IYBDPMFKSA-N 1 2 330.428 2.839 40 0 EFABLO COc1ccccc1C[N@@H+]1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21 ZINC000096041699 473262654 /nfs/dbraw/zinc/26/26/54/473262654.db2.gz ATGMWZLAUNPTSX-DFQSSKMNSA-N 1 2 340.423 2.901 40 0 EFABLO COc1ccccc1C[N@H+]1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21 ZINC000096041699 473262659 /nfs/dbraw/zinc/26/26/59/473262659.db2.gz ATGMWZLAUNPTSX-DFQSSKMNSA-N 1 2 340.423 2.901 40 0 EFABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21 ZINC000096041698 473263333 /nfs/dbraw/zinc/26/33/33/473263333.db2.gz OIDMDFRZYLBBGW-ZMSDIMECSA-N 1 2 331.441 2.657 40 0 EFABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@H](Oc3cccnc3)CC[C@@H]21 ZINC000096041698 473263338 /nfs/dbraw/zinc/26/33/38/473263338.db2.gz OIDMDFRZYLBBGW-ZMSDIMECSA-N 1 2 331.441 2.657 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096041895 473263532 /nfs/dbraw/zinc/26/35/32/473263532.db2.gz NZHLFQNARVIBFK-GVDBMIGSSA-N 1 2 347.390 2.636 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096041895 473263537 /nfs/dbraw/zinc/26/35/37/473263537.db2.gz NZHLFQNARVIBFK-GVDBMIGSSA-N 1 2 347.390 2.636 40 0 EFABLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccoc2)n1 ZINC000096041770 473263561 /nfs/dbraw/zinc/26/35/61/473263561.db2.gz OJEDBDSKWGENIC-IPMKNSEASA-N 1 2 328.412 2.932 40 0 EFABLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccoc2)n1 ZINC000096041770 473263566 /nfs/dbraw/zinc/26/35/66/473263566.db2.gz OJEDBDSKWGENIC-IPMKNSEASA-N 1 2 328.412 2.932 40 0 EFABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096041828 473263697 /nfs/dbraw/zinc/26/36/97/473263697.db2.gz IIMXTUNOGNPUQD-LZLYRXPVSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096041828 473263703 /nfs/dbraw/zinc/26/37/03/473263703.db2.gz IIMXTUNOGNPUQD-LZLYRXPVSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096041908 473263860 /nfs/dbraw/zinc/26/38/60/473263860.db2.gz YOCYXOWXJKAMFH-SQWLQELKSA-N 1 2 349.431 2.796 40 0 EFABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096041908 473263867 /nfs/dbraw/zinc/26/38/67/473263867.db2.gz YOCYXOWXJKAMFH-SQWLQELKSA-N 1 2 349.431 2.796 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)n1 ZINC000096041899 473263931 /nfs/dbraw/zinc/26/39/31/473263931.db2.gz RFOBPPLRWSKKJK-RCCFBDPRSA-N 1 2 343.402 2.735 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)n1 ZINC000096041899 473263936 /nfs/dbraw/zinc/26/39/36/473263936.db2.gz RFOBPPLRWSKKJK-RCCFBDPRSA-N 1 2 343.402 2.735 40 0 EFABLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1n[nH]c2c1CCC2 ZINC000081932455 473273411 /nfs/dbraw/zinc/27/34/11/473273411.db2.gz COMPCCBJUSDJSK-UHFFFAOYSA-N 1 2 349.438 2.658 40 0 EFABLO c1ccc(OC[C@@H]2C[C@H]3OCC[N@H+](Cc4cccnc4)[C@@H]3C2)nc1 ZINC000096055447 473279891 /nfs/dbraw/zinc/27/98/91/473279891.db2.gz QFJGJMZLFSPXDA-RCCFBDPRSA-N 1 2 325.412 2.535 40 0 EFABLO c1ccc(OC[C@@H]2C[C@H]3OCC[N@@H+](Cc4cccnc4)[C@@H]3C2)nc1 ZINC000096055447 473279896 /nfs/dbraw/zinc/27/98/96/473279896.db2.gz QFJGJMZLFSPXDA-RCCFBDPRSA-N 1 2 325.412 2.535 40 0 EFABLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@H]12 ZINC000096057138 473280602 /nfs/dbraw/zinc/28/06/02/473280602.db2.gz ABWPSZBYSIHGNF-IPELMVKDSA-N 1 2 330.428 2.984 40 0 EFABLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@H]12 ZINC000096057138 473280608 /nfs/dbraw/zinc/28/06/08/473280608.db2.gz ABWPSZBYSIHGNF-IPELMVKDSA-N 1 2 330.428 2.984 40 0 EFABLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@H+](Cc1nccs1)C2 ZINC000096058500 473282572 /nfs/dbraw/zinc/28/25/72/473282572.db2.gz DSPGAZQDDMUDJX-WFASDCNBSA-N 1 2 331.416 2.629 40 0 EFABLO O=C(c1cccc(F)c1)N1C[C@H]2C[C@@H](C1)[N@@H+](Cc1nccs1)C2 ZINC000096058500 473282579 /nfs/dbraw/zinc/28/25/79/473282579.db2.gz DSPGAZQDDMUDJX-WFASDCNBSA-N 1 2 331.416 2.629 40 0 EFABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1ccco1)CC2)Cc1ccco1 ZINC000096059525 473282718 /nfs/dbraw/zinc/28/27/18/473282718.db2.gz NLRDEHHHFRUKRB-UHFFFAOYSA-N 1 2 326.400 2.717 40 0 EFABLO C[N@H+](Cc1cn2c(n1)CN(Cc1ccco1)CC2)Cc1ccco1 ZINC000096059525 473282727 /nfs/dbraw/zinc/28/27/27/473282727.db2.gz NLRDEHHHFRUKRB-UHFFFAOYSA-N 1 2 326.400 2.717 40 0 EFABLO c1cn2c(n1)C[N@H+](Cc1ccoc1)C[C@H](COCc1cccnc1)C2 ZINC000096059139 473283868 /nfs/dbraw/zinc/28/38/68/473283868.db2.gz UWLPVRNUYKHDOW-SFHVURJKSA-N 1 2 338.411 2.720 40 0 EFABLO c1cn2c(n1)C[N@@H+](Cc1ccoc1)C[C@H](COCc1cccnc1)C2 ZINC000096059139 473283873 /nfs/dbraw/zinc/28/38/73/473283873.db2.gz UWLPVRNUYKHDOW-SFHVURJKSA-N 1 2 338.411 2.720 40 0 EFABLO c1cn2c([nH+]1)CN(Cc1ccoc1)C[C@H](COCc1cccnc1)C2 ZINC000096059139 473283879 /nfs/dbraw/zinc/28/38/79/473283879.db2.gz UWLPVRNUYKHDOW-SFHVURJKSA-N 1 2 338.411 2.720 40 0 EFABLO CCn1cc2c(n1)C[N@@H+](Cc1ccncc1)C[C@@H]2COCC1CC1 ZINC000096060434 473284394 /nfs/dbraw/zinc/28/43/94/473284394.db2.gz XDQXLLSTGOCLKK-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO CCn1cc2c(n1)C[N@H+](Cc1ccncc1)C[C@@H]2COCC1CC1 ZINC000096060434 473284402 /nfs/dbraw/zinc/28/44/02/473284402.db2.gz XDQXLLSTGOCLKK-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO C[C@@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1ccc(F)cc1 ZINC000096062044 473284971 /nfs/dbraw/zinc/28/49/71/473284971.db2.gz FPKAFANFIGKFNP-CQSZACIVSA-N 1 2 325.391 2.844 40 0 EFABLO O=C(c1cccs1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062487 473287362 /nfs/dbraw/zinc/28/73/62/473287362.db2.gz ONCVYMQNWXTXNT-SFHVURJKSA-N 1 2 343.452 2.512 40 0 EFABLO Cc1cc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)no1 ZINC000096107306 473299887 /nfs/dbraw/zinc/29/98/87/473299887.db2.gz MJLIZHHLHADIPS-MOPGFXCFSA-N 1 2 343.427 2.718 40 0 EFABLO Cc1cc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)no1 ZINC000096107306 473299895 /nfs/dbraw/zinc/29/98/95/473299895.db2.gz MJLIZHHLHADIPS-MOPGFXCFSA-N 1 2 343.427 2.718 40 0 EFABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2cccnc2)Oc2ccccc2N1CC1CC1 ZINC000096111814 473304881 /nfs/dbraw/zinc/30/48/81/473304881.db2.gz IINBJIOTBZQYQU-HKUYNNGSSA-N 1 2 349.434 2.860 40 0 biogenic,in-vitro EFABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2cccnc2)Oc2ccccc2N1CC1CC1 ZINC000096111814 473304887 /nfs/dbraw/zinc/30/48/87/473304887.db2.gz IINBJIOTBZQYQU-HKUYNNGSSA-N 1 2 349.434 2.860 40 0 biogenic,in-vitro EFABLO O=C(c1ccccc1OC(F)F)N1CC[NH+](Cc2ccc[nH]2)CC1 ZINC000190588695 473328266 /nfs/dbraw/zinc/32/82/66/473328266.db2.gz RXLUEJANELNHFX-UHFFFAOYSA-N 1 2 335.354 2.574 40 0 EFABLO C[C@]1(C(=O)NCCCn2cc[nH+]c2)CC(c2ccccc2Cl)=NO1 ZINC000096192900 473332303 /nfs/dbraw/zinc/33/23/03/473332303.db2.gz SBQSUFQHFRMWCP-QGZVFWFLSA-N 1 2 346.818 2.626 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1Cc2cnn(C)c2[C@H](COCC2CC2)C1 ZINC000096198271 473334196 /nfs/dbraw/zinc/33/41/96/473334196.db2.gz GBAUZRYOOQMAAW-INIZCTEOSA-N 1 2 330.432 2.551 40 0 EFABLO Cc1noc(C)c1C[N@H+]1Cc2cnn(C)c2[C@H](COCC2CC2)C1 ZINC000096198271 473334202 /nfs/dbraw/zinc/33/42/02/473334202.db2.gz GBAUZRYOOQMAAW-INIZCTEOSA-N 1 2 330.432 2.551 40 0 EFABLO CC(C)CN1CCN(C(=O)c2ccncc2F)Cc2ccc[nH+]c21 ZINC000096198823 473334719 /nfs/dbraw/zinc/33/47/19/473334719.db2.gz CLPGNIOWCDPERO-UHFFFAOYSA-N 1 2 328.391 2.734 40 0 EFABLO C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000150172933 473334912 /nfs/dbraw/zinc/33/49/12/473334912.db2.gz FZECBQFAODDFHV-BBRMVZONSA-N 1 2 343.427 2.823 40 0 EFABLO C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000150173548 473335887 /nfs/dbraw/zinc/33/58/87/473335887.db2.gz FZECBQFAODDFHV-CZUORRHYSA-N 1 2 343.427 2.823 40 0 EFABLO CN(C)c1nc(N)nc(C[N@H+](C)C2c3ccccc3-c3ccccc32)n1 ZINC000083243330 473337337 /nfs/dbraw/zinc/33/73/37/473337337.db2.gz GDBFZOGDWKIBPB-UHFFFAOYSA-N 1 2 346.438 2.722 40 0 EFABLO CN(C)c1nc(N)nc(C[N@@H+](C)C2c3ccccc3-c3ccccc32)n1 ZINC000083243330 473337343 /nfs/dbraw/zinc/33/73/43/473337343.db2.gz GDBFZOGDWKIBPB-UHFFFAOYSA-N 1 2 346.438 2.722 40 0 EFABLO CCc1cnc(N2CC3(C2)CC[N@H+](Cc2csc(C)n2)C3)nc1 ZINC000096202519 473339109 /nfs/dbraw/zinc/33/91/09/473339109.db2.gz ATMZBXRKCADEFT-UHFFFAOYSA-N 1 2 329.473 2.516 40 0 EFABLO CCc1cnc(N2CC3(C2)CC[N@@H+](Cc2csc(C)n2)C3)nc1 ZINC000096202519 473339117 /nfs/dbraw/zinc/33/91/17/473339117.db2.gz ATMZBXRKCADEFT-UHFFFAOYSA-N 1 2 329.473 2.516 40 0 EFABLO c1cc(CN2CCn3cc(CNc4cccc[nH+]4)nc3C2)cs1 ZINC000096197501 473334648 /nfs/dbraw/zinc/33/46/48/473334648.db2.gz PFOQTJGELDGASM-UHFFFAOYSA-N 1 2 325.441 2.968 40 0 EFABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)/C=C/c2cccs2)C1 ZINC000096218625 473351707 /nfs/dbraw/zinc/35/17/07/473351707.db2.gz ZLNBWWLBGNJIFK-GJBLVYBDSA-N 1 2 331.441 2.653 40 0 EFABLO CC(C)n1cnc2c1[C@@H](C(=O)NC1CCCC1)[N@H+](CC1CC1)CC2 ZINC000096265018 473369169 /nfs/dbraw/zinc/36/91/69/473369169.db2.gz TUZXZJCRIKCFDY-SFHVURJKSA-N 1 2 330.476 2.832 40 0 EFABLO CC(C)n1cnc2c1[C@@H](C(=O)NC1CCCC1)[N@@H+](CC1CC1)CC2 ZINC000096265018 473369177 /nfs/dbraw/zinc/36/91/77/473369177.db2.gz TUZXZJCRIKCFDY-SFHVURJKSA-N 1 2 330.476 2.832 40 0 EFABLO Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc[nH+]c3N(C)C)o2)n1 ZINC000096402743 473379313 /nfs/dbraw/zinc/37/93/13/473379313.db2.gz GGXLAXASYHLMNW-UHFFFAOYSA-N 1 2 339.399 2.855 40 0 EFABLO COc1ccnc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000096407447 473385621 /nfs/dbraw/zinc/38/56/21/473385621.db2.gz FBJUPWQZMJCTEV-VMPITWQZSA-N 1 2 337.423 2.561 40 0 EFABLO CN(Cc1[nH+]ccn1C)C(=O)/C=C/c1csc(Br)c1 ZINC000096407546 473385939 /nfs/dbraw/zinc/38/59/39/473385939.db2.gz AFLMYKGNVYWICC-ONEGZZNKSA-N 1 2 340.246 2.916 40 0 EFABLO C[C@@H](Cn1cc[nH+]c1)NC(=O)c1csc(Cc2ccccc2F)n1 ZINC000096410031 473387855 /nfs/dbraw/zinc/38/78/55/473387855.db2.gz CTFVFHLKKTZEIE-LBPRGKRZSA-N 1 2 344.415 2.888 40 0 EFABLO COc1cccc(C[N@H+](C)CC(=O)NCc2cccs2)c1OC ZINC000006847546 471573982 /nfs/dbraw/zinc/57/39/82/471573982.db2.gz LOOIFAAAIVYLMD-UHFFFAOYSA-N 1 2 334.441 2.514 40 0 EFABLO COc1cccc(C[N@@H+](C)CC(=O)NCc2cccs2)c1OC ZINC000006847546 471573988 /nfs/dbraw/zinc/57/39/88/471573988.db2.gz LOOIFAAAIVYLMD-UHFFFAOYSA-N 1 2 334.441 2.514 40 0 EFABLO Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc([NH+](C)C)cc1 ZINC000006961704 471580981 /nfs/dbraw/zinc/58/09/81/471580981.db2.gz HHGKGPGXULTAFJ-GZTJUZNOSA-N 1 2 338.411 2.683 40 0 EFABLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000007390788 471610790 /nfs/dbraw/zinc/61/07/90/471610790.db2.gz IGOGLZYRYJODDM-OAHLLOKOSA-N 1 2 331.460 2.703 40 0 EFABLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000007390788 471610797 /nfs/dbraw/zinc/61/07/97/471610797.db2.gz IGOGLZYRYJODDM-OAHLLOKOSA-N 1 2 331.460 2.703 40 0 EFABLO C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000008345336 471683569 /nfs/dbraw/zinc/68/35/69/471683569.db2.gz SRIVGZHREQECBQ-SOUVJXGZSA-N 1 2 349.450 2.589 40 0 EFABLO C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000008345336 471683572 /nfs/dbraw/zinc/68/35/72/471683572.db2.gz SRIVGZHREQECBQ-SOUVJXGZSA-N 1 2 349.450 2.589 40 0 EFABLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000012697548 471789957 /nfs/dbraw/zinc/78/99/57/471789957.db2.gz ZLWYFMVBXFRLHG-YESZJQIVSA-N 1 2 345.487 2.758 40 0 EFABLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000012697548 471789961 /nfs/dbraw/zinc/78/99/61/471789961.db2.gz ZLWYFMVBXFRLHG-YESZJQIVSA-N 1 2 345.487 2.758 40 0 EFABLO O=C(Cn1c[nH+]c2cc3c(cc21)OCCCO3)NC1CCCCC1 ZINC000014000633 471848470 /nfs/dbraw/zinc/84/84/70/471848470.db2.gz XEPDDXUKJTVPIP-UHFFFAOYSA-N 1 2 329.400 2.647 40 0 EFABLO C[C@@H](C(=O)n1c2ccccc2c2ccccc21)[NH+]1CCN(C=O)CC1 ZINC000014608356 471876163 /nfs/dbraw/zinc/87/61/63/471876163.db2.gz OUNSJAQIFQDNQJ-HNNXBMFYSA-N 1 2 335.407 2.597 40 0 EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](Cc2cccnc2)C1 ZINC000015674925 471914518 /nfs/dbraw/zinc/91/45/18/471914518.db2.gz MBGNHMFEVKHTFD-CVEARBPZSA-N 1 2 340.358 2.579 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](Cc2cccnc2)C1 ZINC000015674925 471914523 /nfs/dbraw/zinc/91/45/23/471914523.db2.gz MBGNHMFEVKHTFD-CVEARBPZSA-N 1 2 340.358 2.579 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000015674201 471914532 /nfs/dbraw/zinc/91/45/32/471914532.db2.gz CZGGJIJNOACPOI-ZBFHGGJFSA-N 1 2 340.358 2.579 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000015674201 471914536 /nfs/dbraw/zinc/91/45/36/471914536.db2.gz CZGGJIJNOACPOI-ZBFHGGJFSA-N 1 2 340.358 2.579 40 0 biogenic,in-vitro EFABLO Cc1ccccc1NC(=S)N1CC[NH+](Cc2ccccn2)CC1 ZINC000016704512 471948094 /nfs/dbraw/zinc/94/80/94/471948094.db2.gz SOEDQTFDYIKZSB-UHFFFAOYSA-N 1 2 326.469 2.905 40 0 EFABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)s1 ZINC000019693545 471983435 /nfs/dbraw/zinc/98/34/35/471983435.db2.gz LIEBSVBRRHVKOT-KRWDZBQOSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1ncc(C[N@H+]2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)s1 ZINC000019693545 471983439 /nfs/dbraw/zinc/98/34/39/471983439.db2.gz LIEBSVBRRHVKOT-KRWDZBQOSA-N 1 2 341.440 2.810 40 0 EFABLO CC(C)[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCSCC1 ZINC000020143341 471987415 /nfs/dbraw/zinc/98/74/15/471987415.db2.gz CZLUQTSJTVQBRX-INIZCTEOSA-N 1 2 331.489 2.662 40 0 EFABLO CCN1C[C@H](C[N@H+](C)CC(=O)Nc2ccccc2)Oc2ccccc21 ZINC000021672436 472003562 /nfs/dbraw/zinc/00/35/62/472003562.db2.gz XHFKFJLLEIGJSB-KRWDZBQOSA-N 1 2 339.439 2.844 40 0 EFABLO CCN1C[C@H](C[N@@H+](C)CC(=O)Nc2ccccc2)Oc2ccccc21 ZINC000021672436 472003566 /nfs/dbraw/zinc/00/35/66/472003566.db2.gz XHFKFJLLEIGJSB-KRWDZBQOSA-N 1 2 339.439 2.844 40 0 EFABLO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000023003886 472025089 /nfs/dbraw/zinc/02/50/89/472025089.db2.gz IVTNYBNZCFJFNT-ZDUSSCGKSA-N 1 2 330.432 2.956 40 0 EFABLO COc1ccc(C[NH+]2CCN(c3nc(C)cc(C)n3)CC2)cc1F ZINC000024054422 472044830 /nfs/dbraw/zinc/04/48/30/472044830.db2.gz FBVJJAWIGNBARJ-UHFFFAOYSA-N 1 2 330.407 2.563 40 0 EFABLO O=C(c1cccs1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024136163 472048242 /nfs/dbraw/zinc/04/82/42/472048242.db2.gz KIOHQZRDCHUENB-UHFFFAOYSA-N 1 2 328.437 2.641 40 0 EFABLO COc1ccccc1COC[C@H](O)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000025256567 472086614 /nfs/dbraw/zinc/08/66/14/472086614.db2.gz MWOVBBSGFUXQRN-CYBMUJFWSA-N 1 2 348.349 2.901 40 0 EFABLO Cc1noc(C)c1C[NH+]1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000027545019 472181297 /nfs/dbraw/zinc/18/12/97/472181297.db2.gz CJJDXZTYMKFXQM-UHFFFAOYSA-N 1 2 329.448 2.835 40 0 EFABLO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000044842157 472342395 /nfs/dbraw/zinc/34/23/95/472342395.db2.gz QHAXOHPCBLJEBH-UHFFFAOYSA-N 1 2 337.379 2.820 40 0 EFABLO Cn1c(=O)oc2cc(NC(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)ccc21 ZINC000088380481 472359727 /nfs/dbraw/zinc/35/97/27/472359727.db2.gz UJPUVXHOZHZSGS-CYBMUJFWSA-N 1 2 341.371 2.614 40 0 EFABLO O=S(=O)(/C=C/c1ccccc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000031074421 472361968 /nfs/dbraw/zinc/36/19/68/472361968.db2.gz CZXDLJTVROWROK-NTUHNPAUSA-N 1 2 348.493 2.866 40 0 EFABLO CC[C@@H](c1nnnn1CCC(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671637 472460435 /nfs/dbraw/zinc/46/04/35/472460435.db2.gz DQVRJKUBMJGGGZ-SFHVURJKSA-N 1 2 342.491 2.993 40 0 EFABLO Cc1[nH]c(=S)sc1CC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000032845614 472473986 /nfs/dbraw/zinc/47/39/86/472473986.db2.gz DLKWUZDXVYSPNJ-UHFFFAOYSA-N 1 2 346.481 2.757 40 0 EFABLO O=C1CC[N@H+](Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CCN1 ZINC000097230844 472484339 /nfs/dbraw/zinc/48/43/39/472484339.db2.gz HYZXTZMERMRINY-HNNXBMFYSA-N 1 2 341.480 2.738 40 0 EFABLO O=C1CC[N@@H+](Cc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CCN1 ZINC000097230844 472484347 /nfs/dbraw/zinc/48/43/47/472484347.db2.gz HYZXTZMERMRINY-HNNXBMFYSA-N 1 2 341.480 2.738 40 0 EFABLO CC(C)OCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000097378481 472494712 /nfs/dbraw/zinc/49/47/12/472494712.db2.gz UCYQXKHFKNFHOO-AWEZNQCLSA-N 1 2 325.478 2.561 40 0 EFABLO Cc1cc([NH3+])ccc1N1CCN(C(=O)C(Cl)(Cl)Cl)CC1 ZINC000070461927 472498641 /nfs/dbraw/zinc/49/86/41/472498641.db2.gz LFTDTJBZFMFTOB-UHFFFAOYSA-N 1 2 336.650 2.596 40 0 EFABLO Cc1cc2[nH+]cn(C[C@@H](O)COc3ccc4c(c3)OCO4)c2cc1C ZINC000058158461 472508936 /nfs/dbraw/zinc/50/89/36/472508936.db2.gz DMZATMJYPYUUBY-CQSZACIVSA-N 1 2 340.379 2.822 40 0 EFABLO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000047031279 472645317 /nfs/dbraw/zinc/64/53/17/472645317.db2.gz USBPAACDGFFDHM-MRXNPFEDSA-N 1 2 334.441 2.785 40 0 EFABLO OCCCc1[nH+]c2ccccc2n1C[C@H](O)COCc1ccccc1 ZINC000047283077 472684519 /nfs/dbraw/zinc/68/45/19/472684519.db2.gz STULENHCPVOYLR-KRWDZBQOSA-N 1 2 340.423 2.539 40 0 EFABLO OCCCc1[nH+]c2ccccc2n1C[C@@H](O)COCc1ccccc1 ZINC000047283075 472684533 /nfs/dbraw/zinc/68/45/33/472684533.db2.gz STULENHCPVOYLR-QGZVFWFLSA-N 1 2 340.423 2.539 40 0 EFABLO CCCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cn1 ZINC000105831376 472784465 /nfs/dbraw/zinc/78/44/65/472784465.db2.gz QIOYNOIXJBYNBB-UHFFFAOYSA-N 1 2 344.434 2.780 40 0 EFABLO CCCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cn1 ZINC000105831376 472784472 /nfs/dbraw/zinc/78/44/72/472784472.db2.gz QIOYNOIXJBYNBB-UHFFFAOYSA-N 1 2 344.434 2.780 40 0 EFABLO COc1cc(C)ccc1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000157257362 472800279 /nfs/dbraw/zinc/80/02/79/472800279.db2.gz TUEBXZNCPIGWJJ-UHFFFAOYSA-N 1 2 340.427 2.748 40 0 EFABLO COc1ccccc1N1CCN(C(=O)Nc2cc[nH+]cc2C)CC1 ZINC000121180977 472811903 /nfs/dbraw/zinc/81/19/03/472811903.db2.gz ITORMXNKYIHZFS-UHFFFAOYSA-N 1 2 326.400 2.753 40 0 EFABLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccnn2C(C)C)cc1OC ZINC000048230543 472836614 /nfs/dbraw/zinc/83/66/14/472836614.db2.gz JRDHPUKOXFYCMF-UHFFFAOYSA-N 1 2 346.431 2.552 40 0 EFABLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccnn2C(C)C)cc1OC ZINC000048230543 472836619 /nfs/dbraw/zinc/83/66/19/472836619.db2.gz JRDHPUKOXFYCMF-UHFFFAOYSA-N 1 2 346.431 2.552 40 0 EFABLO O=C(c1cscn1)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000107249528 472936580 /nfs/dbraw/zinc/93/65/80/472936580.db2.gz SCNZJFOTZKITDL-IUODEOHRSA-N 1 2 333.844 2.753 40 0 EFABLO O=C(c1cscn1)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000107249528 472936585 /nfs/dbraw/zinc/93/65/85/472936585.db2.gz SCNZJFOTZKITDL-IUODEOHRSA-N 1 2 333.844 2.753 40 0 EFABLO COc1cccc(CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000074768113 473060184 /nfs/dbraw/zinc/06/01/84/473060184.db2.gz YDGSXUZHBWHMAG-UHFFFAOYSA-N 1 2 330.453 2.644 40 0 EFABLO Cc1nc(C2CC[NH+](Cc3nc([C@@H](C)OCC(C)C)no3)CC2)no1 ZINC000074989855 473108833 /nfs/dbraw/zinc/10/88/33/473108833.db2.gz IHQYTYXFNWQNQU-GFCCVEGCSA-N 1 2 349.435 2.874 40 0 EFABLO Cc1ncsc1COC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000123539068 473155142 /nfs/dbraw/zinc/15/51/42/473155142.db2.gz KJUUVLXUCIOHRR-UHFFFAOYSA-N 1 2 332.425 2.641 40 0 EFABLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000110699627 473172844 /nfs/dbraw/zinc/17/28/44/473172844.db2.gz YUNVOJCDMSYTKT-QFBILLFUSA-N 1 2 346.377 2.775 40 0 EFABLO C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000110699627 473172850 /nfs/dbraw/zinc/17/28/50/473172850.db2.gz YUNVOJCDMSYTKT-QFBILLFUSA-N 1 2 346.377 2.775 40 0 EFABLO CC[C@H]1CN(C(=O)NCc2[nH+]ccn2Cc2ccccc2)C[C@@H](C)O1 ZINC000075456859 473188259 /nfs/dbraw/zinc/18/82/59/473188259.db2.gz CJCSNUYCJQXUSO-WBVHZDCISA-N 1 2 342.443 2.640 40 0 EFABLO CCc1ccc([C@H]2COCCN2C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000096413079 473392250 /nfs/dbraw/zinc/39/22/50/473392250.db2.gz KTJYBMJMZSAPRY-MRXNPFEDSA-N 1 2 346.431 2.602 40 0 EFABLO O=C(C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)NCc1ccco1 ZINC000096414966 473394315 /nfs/dbraw/zinc/39/43/15/473394315.db2.gz UEMKPXMGUIBJEW-HNNXBMFYSA-N 1 2 344.386 2.630 40 0 EFABLO O=C(C[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)NCc1ccco1 ZINC000096414966 473394321 /nfs/dbraw/zinc/39/43/21/473394321.db2.gz UEMKPXMGUIBJEW-HNNXBMFYSA-N 1 2 344.386 2.630 40 0 EFABLO COc1c(C)c[nH+]c(CNC(=O)CCCc2nc(C3CC3)no2)c1C ZINC000096416950 473396667 /nfs/dbraw/zinc/39/66/67/473396667.db2.gz OKGDSBCUECCSNK-UHFFFAOYSA-N 1 2 344.415 2.607 40 0 EFABLO Cc1c[nH+]ccc1NC(=O)C[C@@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000096420792 473399689 /nfs/dbraw/zinc/39/96/89/473399689.db2.gz IYWYIHHTIUNLFQ-HNNXBMFYSA-N 1 2 332.448 2.796 40 0 EFABLO C[C@H](c1cccnc1)N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000096424289 473402779 /nfs/dbraw/zinc/40/27/79/473402779.db2.gz HIKQIERZLZHEMK-OSPHWJPCSA-N 1 2 343.496 2.568 40 0 EFABLO Cc1ccc([C@@]2(C)NC(=O)N(Cc3c(C)[nH+]c4ccccn43)C2=O)o1 ZINC000096424892 473403592 /nfs/dbraw/zinc/40/35/92/473403592.db2.gz LPZIUVNHHKZXPE-GOSISDBHSA-N 1 2 338.367 2.511 40 0 EFABLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3ccc(Cl)cc3)CC2)nn1C ZINC000096425996 473405163 /nfs/dbraw/zinc/40/51/63/473405163.db2.gz HCQYBUQSSPRRHG-AWEZNQCLSA-N 1 2 346.862 2.901 40 0 EFABLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)Nc2cnn(C)c2)CC1 ZINC000096433863 473412721 /nfs/dbraw/zinc/41/27/21/473412721.db2.gz HMBGLAPKSQCGCN-CYBMUJFWSA-N 1 2 347.850 2.984 40 0 EFABLO O=C(NCc1ccsc1)NCc1[nH+]ccn1Cc1ccccc1 ZINC000096439080 473417952 /nfs/dbraw/zinc/41/79/52/473417952.db2.gz BWYFOANWUCLWQD-UHFFFAOYSA-N 1 2 326.425 2.992 40 0 EFABLO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1F ZINC000125567880 473428661 /nfs/dbraw/zinc/42/86/61/473428661.db2.gz JBBZKTGYJVTFNN-UHFFFAOYSA-N 1 2 325.343 2.950 40 0 EFABLO Cc1noc(C)c1C[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096455915 473430615 /nfs/dbraw/zinc/43/06/15/473430615.db2.gz BDQWGECZIDMDFL-OAHLLOKOSA-N 1 2 341.333 2.801 40 0 EFABLO CS[C@@H]1CC[C@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000096462811 473435029 /nfs/dbraw/zinc/43/50/29/473435029.db2.gz DNZUUWSMEBWNBK-LSDHHAIUSA-N 1 2 345.472 2.693 40 0 EFABLO CCCn1nnnc1C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000096468630 473436475 /nfs/dbraw/zinc/43/64/75/473436475.db2.gz OCTFKNIQAXSOEY-CABCVRRESA-N 1 2 333.436 2.544 40 0 EFABLO CCCn1nnnc1C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000096468630 473436481 /nfs/dbraw/zinc/43/64/81/473436481.db2.gz OCTFKNIQAXSOEY-CABCVRRESA-N 1 2 333.436 2.544 40 0 EFABLO C[C@H](Sc1[nH+]cnc2c1cnn2C)c1cn(-c2ccccc2)nn1 ZINC000096471939 473437418 /nfs/dbraw/zinc/43/74/18/473437418.db2.gz PGWHXJRLOMUCFF-NSHDSACASA-N 1 2 337.412 2.797 40 0 EFABLO COCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(Cl)c1 ZINC000096475165 473438687 /nfs/dbraw/zinc/43/86/87/473438687.db2.gz XCYXDPOQLAOBBD-UHFFFAOYSA-N 1 2 326.805 2.577 40 0 EFABLO COC(=O)[C@@H](c1cccnc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000096483194 473441989 /nfs/dbraw/zinc/44/19/89/473441989.db2.gz OIDZNVJPXQVVHL-GOSISDBHSA-N 1 2 326.396 2.881 40 0 EFABLO CCC(=O)c1cccc(S(=O)(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000096483177 473442143 /nfs/dbraw/zinc/44/21/43/473442143.db2.gz DTGYUNLJVVKIGH-UHFFFAOYSA-N 1 2 347.440 2.502 40 0 EFABLO Cc1cc(C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)ccc1Oc1cccnc1 ZINC000096489416 473446784 /nfs/dbraw/zinc/44/67/84/473446784.db2.gz ZGRIYTFBJFPGLD-MRXNPFEDSA-N 1 2 346.452 2.801 40 0 EFABLO Cc1cc(C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)ccc1Oc1cccnc1 ZINC000096489416 473446790 /nfs/dbraw/zinc/44/67/90/473446790.db2.gz ZGRIYTFBJFPGLD-MRXNPFEDSA-N 1 2 346.452 2.801 40 0 EFABLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3nc(C4CC4)no3)ccc2NC1=O ZINC000096492080 473447463 /nfs/dbraw/zinc/44/74/63/473447463.db2.gz OXCSBUXDDPRVQS-IINYFYTJSA-N 1 2 342.399 2.907 40 0 EFABLO C[C@@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000096491300 473447866 /nfs/dbraw/zinc/44/78/66/473447866.db2.gz UNQWGTIPMDUWGO-GFCCVEGCSA-N 1 2 326.400 2.925 40 0 EFABLO Cc1cc(NC(=O)NCCCn2cc[nH+]c2)nn1-c1ccc(C)cc1 ZINC000096493215 473449074 /nfs/dbraw/zinc/44/90/74/473449074.db2.gz KRLKWOGSXGHYPF-UHFFFAOYSA-N 1 2 338.415 2.897 40 0 EFABLO COCC[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000096503139 473454831 /nfs/dbraw/zinc/45/48/31/473454831.db2.gz LDSQZROETVNCCM-KGLIPLIRSA-N 1 2 325.478 2.561 40 0 EFABLO COCC[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000096503138 473454941 /nfs/dbraw/zinc/45/49/41/473454941.db2.gz LDSQZROETVNCCM-KBPBESRZSA-N 1 2 325.478 2.561 40 0 EFABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC[C@H]2CCCO2)CC1 ZINC000096503134 473455244 /nfs/dbraw/zinc/45/52/44/473455244.db2.gz OLFWILKKRFOHRG-GOEBONIOSA-N 1 2 337.489 2.705 40 0 EFABLO CC(C)(C)c1cnc(CCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)o1 ZINC000185885851 473538399 /nfs/dbraw/zinc/53/83/99/473538399.db2.gz NRYFBZXHZBFWCL-AWEZNQCLSA-N 1 2 342.443 2.695 40 0 EFABLO O=C(NCCn1cc[nH+]c1)Nc1cc2c(cc1Br)CCC2 ZINC000192460130 473682309 /nfs/dbraw/zinc/68/23/09/473682309.db2.gz FCUFMXSBXYJHQR-UHFFFAOYSA-N 1 2 349.232 2.956 40 0 EFABLO Cc1cc(NC(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)cc[nH+]1 ZINC000179840066 473739250 /nfs/dbraw/zinc/73/92/50/473739250.db2.gz RPHCFTSJOZELQG-MRXNPFEDSA-N 1 2 338.411 2.560 40 0 EFABLO OC[C@@H]1CCCN1c1cc(N[C@H]2CCCc3sccc32)[nH+]cn1 ZINC000274290250 473774811 /nfs/dbraw/zinc/77/48/11/473774811.db2.gz YHAOKMGYBKYEQS-JSGCOSHPSA-N 1 2 330.457 2.989 40 0 EFABLO OC[C@@H]1CCCN1c1cc(N[C@H]2CCCc3sccc32)nc[nH+]1 ZINC000274290250 473774814 /nfs/dbraw/zinc/77/48/14/473774814.db2.gz YHAOKMGYBKYEQS-JSGCOSHPSA-N 1 2 330.457 2.989 40 0 EFABLO O=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000269398555 473799613 /nfs/dbraw/zinc/79/96/13/473799613.db2.gz CODUEPKBRMNTPQ-QXAKKESOSA-N 1 2 336.439 2.747 40 0 EFABLO O=C(CN1CCC[N@@H+](Cc2cc(Cl)cs2)CC1)N1CCCC1 ZINC000194326982 473880195 /nfs/dbraw/zinc/88/01/95/473880195.db2.gz KCIRSLKBSYTGQO-UHFFFAOYSA-N 1 2 341.908 2.532 40 0 EFABLO O=C(CN1CCC[N@H+](Cc2cc(Cl)cs2)CC1)N1CCCC1 ZINC000194326982 473880201 /nfs/dbraw/zinc/88/02/01/473880201.db2.gz KCIRSLKBSYTGQO-UHFFFAOYSA-N 1 2 341.908 2.532 40 0 EFABLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC000282458985 474073124 /nfs/dbraw/zinc/07/31/24/474073124.db2.gz JZDNYZBLBCDIEM-CYBMUJFWSA-N 1 2 345.830 2.960 40 0 EFABLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000195544688 474093236 /nfs/dbraw/zinc/09/32/36/474093236.db2.gz ZJOYAYOGCSDAKW-TZMCWYRMSA-N 1 2 329.366 2.630 40 0 EFABLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000195544688 474093242 /nfs/dbraw/zinc/09/32/42/474093242.db2.gz ZJOYAYOGCSDAKW-TZMCWYRMSA-N 1 2 329.366 2.630 40 0 EFABLO Fc1cccnc1OC[C@@H]1CCOC12C[NH+](Cc1ccccc1)C2 ZINC000247506232 474167560 /nfs/dbraw/zinc/16/75/60/474167560.db2.gz GZVXZAAEFALRHV-INIZCTEOSA-N 1 2 328.387 2.891 40 0 EFABLO Fc1cccnc1OC[C@H]1CCOC12C[NH+](Cc1ccccc1)C2 ZINC000247506241 474168222 /nfs/dbraw/zinc/16/82/22/474168222.db2.gz GZVXZAAEFALRHV-MRXNPFEDSA-N 1 2 328.387 2.891 40 0 EFABLO CCOc1ccc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc1 ZINC000224141102 474195618 /nfs/dbraw/zinc/19/56/18/474195618.db2.gz NJFTVGGXRHPGNH-UHFFFAOYSA-N 1 2 344.419 2.651 40 0 EFABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1ccccc1F ZINC000224355432 474196258 /nfs/dbraw/zinc/19/62/58/474196258.db2.gz PPDGMGCQVLTDLV-UHFFFAOYSA-N 1 2 343.406 2.924 40 0 EFABLO CC(C)Oc1ccc(CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000188801567 474201335 /nfs/dbraw/zinc/20/13/35/474201335.db2.gz QUFVHFPGRODRPS-KRWDZBQOSA-N 1 2 339.439 2.806 40 0 EFABLO [NH3+]C[C@H](c1cccc(Oc2ccccc2)c1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247707103 474202939 /nfs/dbraw/zinc/20/29/39/474202939.db2.gz FXNAGGPWQCQISF-CRAIPNDOSA-N 1 2 326.396 2.885 40 0 EFABLO [NH3+]C[C@H](c1cccc(Oc2ccccc2)c1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247707103 474202945 /nfs/dbraw/zinc/20/29/45/474202945.db2.gz FXNAGGPWQCQISF-CRAIPNDOSA-N 1 2 326.396 2.885 40 0 EFABLO O=C1CCCN1CC[C@@H]1CCOC12C[NH+](Cc1cccc(Cl)c1)C2 ZINC000247857099 474216508 /nfs/dbraw/zinc/21/65/08/474216508.db2.gz KEUMMBVCDMSQKL-MRXNPFEDSA-N 1 2 348.874 2.943 40 0 EFABLO Cc1ccncc1CO[C@H]1CCOC2(C[NH+](Cc3cccnc3)C2)C1 ZINC000247855548 474216721 /nfs/dbraw/zinc/21/67/21/474216721.db2.gz XKTINKCMFBDDPP-IBGZPJMESA-N 1 2 339.439 2.735 40 0 EFABLO Cc1cc(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)cs1 ZINC000225493241 474217483 /nfs/dbraw/zinc/21/74/83/474217483.db2.gz ZMEHRFZYGLVACZ-UHFFFAOYSA-N 1 2 340.452 2.662 40 0 EFABLO Cc1ccncc1CO[C@@H]1CCOC2(C[NH+](Cc3cccnc3)C2)C1 ZINC000247855554 474217626 /nfs/dbraw/zinc/21/76/26/474217626.db2.gz XKTINKCMFBDDPP-LJQANCHMSA-N 1 2 339.439 2.735 40 0 EFABLO Cc1cccc(CO[C@@H]2Cn3nccc3C[N@H+](Cc3ccoc3)C2)n1 ZINC000247864454 474218704 /nfs/dbraw/zinc/21/87/04/474218704.db2.gz HZROUQOBVISJBY-IBGZPJMESA-N 1 2 338.411 2.781 40 0 EFABLO Cc1cccc(CO[C@@H]2Cn3nccc3C[N@@H+](Cc3ccoc3)C2)n1 ZINC000247864454 474218711 /nfs/dbraw/zinc/21/87/11/474218711.db2.gz HZROUQOBVISJBY-IBGZPJMESA-N 1 2 338.411 2.781 40 0 EFABLO O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000225510366 474220061 /nfs/dbraw/zinc/22/00/61/474220061.db2.gz LTHIDGVGALNVOZ-CYBMUJFWSA-N 1 2 344.846 2.517 40 0 EFABLO O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000225510366 474220067 /nfs/dbraw/zinc/22/00/67/474220067.db2.gz LTHIDGVGALNVOZ-CYBMUJFWSA-N 1 2 344.846 2.517 40 0 EFABLO CCOC(=O)c1ccc(NC(=S)NCCCn2cc[nH+]c2)c(C)c1 ZINC000225521562 474221544 /nfs/dbraw/zinc/22/15/44/474221544.db2.gz REYBNAJXSZORNA-UHFFFAOYSA-N 1 2 346.456 2.745 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3CCOc2ccccn2)n1 ZINC000247902719 474224016 /nfs/dbraw/zinc/22/40/16/474224016.db2.gz ZOCRWIFDJGHPIP-QGZVFWFLSA-N 1 2 339.439 2.845 40 0 EFABLO Cc1cnc(C(C)(C)NC(=O)C2CC[NH+](CC(F)F)CC2)s1 ZINC000225561996 474226096 /nfs/dbraw/zinc/22/60/96/474226096.db2.gz FFIJVTOPZPEBEE-UHFFFAOYSA-N 1 2 331.432 2.780 40 0 EFABLO c1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)cs1 ZINC000247954865 474231407 /nfs/dbraw/zinc/23/14/07/474231407.db2.gz NRJDLEWNNDLOMQ-KRWDZBQOSA-N 1 2 337.485 2.925 40 0 EFABLO Cc1ccsc1C[N@@H+]1Cc2ncn(C)c2[C@H](C(=O)NC2CCC2)C1 ZINC000248052432 474251040 /nfs/dbraw/zinc/25/10/40/474251040.db2.gz RPFUIBCQQIIJOX-CQSZACIVSA-N 1 2 344.484 2.558 40 0 EFABLO Cc1ccsc1C[N@H+]1Cc2ncn(C)c2[C@H](C(=O)NC2CCC2)C1 ZINC000248052432 474251045 /nfs/dbraw/zinc/25/10/45/474251045.db2.gz RPFUIBCQQIIJOX-CQSZACIVSA-N 1 2 344.484 2.558 40 0 EFABLO C[N@@H+]1CCC[C@H]2C[NH+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182181 474260185 /nfs/dbraw/zinc/26/01/85/474260185.db2.gz AZXCNRWFSJJBRE-VQTJNVASSA-N 1 2 349.563 2.685 40 0 EFABLO COc1ccc2c(c1)OC[C@@H](NC(=O)Nc1ccc(C)[nH+]c1C)C2 ZINC000271057573 474389119 /nfs/dbraw/zinc/38/91/19/474389119.db2.gz JLDCMQZNGRAXRE-AWEZNQCLSA-N 1 2 327.384 2.832 40 0 EFABLO O=C(NCc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000240002245 474547371 /nfs/dbraw/zinc/54/73/71/474547371.db2.gz PPZQJYOFUDWBAH-MRXNPFEDSA-N 1 2 345.468 2.869 40 0 EFABLO CCCCc1[nH]c2ccc(NC(=O)[C@H](OC)c3cnn(C)c3)cc2[nH+]1 ZINC000252491735 474677416 /nfs/dbraw/zinc/67/74/16/474677416.db2.gz LRQVUKKWFSURCN-QGZVFWFLSA-N 1 2 341.415 2.965 40 0 EFABLO COc1cccc(OCC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC000252492480 474677461 /nfs/dbraw/zinc/67/74/61/474677461.db2.gz MNLVDOOQAGTIBQ-UHFFFAOYSA-N 1 2 342.395 2.539 40 0 EFABLO C[C@H](c1ccco1)N(C(=O)NCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000253370029 474728810 /nfs/dbraw/zinc/72/88/10/474728810.db2.gz LDKVUCXVVWWVTN-RBSFLKMASA-N 1 2 335.448 2.624 40 0 EFABLO O=C(c1cccc2c1OCCO2)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000253398884 474737848 /nfs/dbraw/zinc/73/78/48/474737848.db2.gz HUKAOFUMPFDMIL-UHFFFAOYSA-N 1 2 340.379 2.536 40 0 EFABLO CCOc1ccc([C@H](COC)NC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000253416775 474742142 /nfs/dbraw/zinc/74/21/42/474742142.db2.gz XQFBDFLHUDLVDE-KRWDZBQOSA-N 1 2 339.395 2.851 40 0 EFABLO Cc1ccc2[nH]c([C@H]3CCCN(c4nccn5cnnc45)C3)[nH+]c2c1 ZINC000253428446 474753458 /nfs/dbraw/zinc/75/34/58/474753458.db2.gz JXKQRHVRGJDVAR-ZDUSSCGKSA-N 1 2 333.399 2.693 40 0 EFABLO CC[C@@H]1C[N@H+](Cc2cncc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000253428920 474754029 /nfs/dbraw/zinc/75/40/29/474754029.db2.gz NXKTUOJKPPGGPT-HUUCEWRRSA-N 1 2 341.249 2.614 40 0 EFABLO CC[C@@H]1C[N@@H+](Cc2cncc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000253428920 474754034 /nfs/dbraw/zinc/75/40/34/474754034.db2.gz NXKTUOJKPPGGPT-HUUCEWRRSA-N 1 2 341.249 2.614 40 0 EFABLO CCc1cnc(CCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)s1 ZINC000253433320 474758383 /nfs/dbraw/zinc/75/83/83/474758383.db2.gz VPMPTFDWWCUXES-UHFFFAOYSA-N 1 2 333.461 2.560 40 0 EFABLO CCc1cnc(CCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)s1 ZINC000253433320 474758390 /nfs/dbraw/zinc/75/83/90/474758390.db2.gz VPMPTFDWWCUXES-UHFFFAOYSA-N 1 2 333.461 2.560 40 0 EFABLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@H]1c1cccc(F)c1 ZINC000253433615 474759513 /nfs/dbraw/zinc/75/95/13/474759513.db2.gz ZLJQEKHOLJXXDP-KRWDZBQOSA-N 1 2 347.434 2.537 40 0 EFABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](Oc1nccc(C)n1)CCO2 ZINC000253477457 474760866 /nfs/dbraw/zinc/76/08/66/474760866.db2.gz FXGSBZMROFIGNV-OAHLLOKOSA-N 1 2 345.468 2.967 40 0 EFABLO C[C@@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CC[N@H+]1CC1CCCC1 ZINC000306125420 474807837 /nfs/dbraw/zinc/80/78/37/474807837.db2.gz CQDQMGJVMFNKCK-GFCCVEGCSA-N 1 2 338.402 2.541 40 0 EFABLO C[C@@H]1c2nc(C(=O)N3CC(F)(F)C3)cn2CC[N@@H+]1CC1CCCC1 ZINC000306125420 474807844 /nfs/dbraw/zinc/80/78/44/474807844.db2.gz CQDQMGJVMFNKCK-GFCCVEGCSA-N 1 2 338.402 2.541 40 0 EFABLO Cc1cccc(C(=O)N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)c1 ZINC000306142409 474812539 /nfs/dbraw/zinc/81/25/39/474812539.db2.gz WYUPATNHCZJEDF-RCCFBDPRSA-N 1 2 337.423 2.589 40 0 EFABLO CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)cc1 ZINC000257283728 474931382 /nfs/dbraw/zinc/93/13/82/474931382.db2.gz OZQGLRDOFNFFOH-MRXNPFEDSA-N 1 2 347.484 2.926 40 0 EFABLO CC(C)c1ccc(C[N@H+]2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)cc1 ZINC000257283728 474931393 /nfs/dbraw/zinc/93/13/93/474931393.db2.gz OZQGLRDOFNFFOH-MRXNPFEDSA-N 1 2 347.484 2.926 40 0 EFABLO Cc1c(CCC(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)cnn1C ZINC000257284762 474931977 /nfs/dbraw/zinc/93/19/77/474931977.db2.gz PEEUNIMOISFHDD-GOSISDBHSA-N 1 2 349.438 2.641 40 0 EFABLO Cc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)c1 ZINC000257283633 474933012 /nfs/dbraw/zinc/93/30/12/474933012.db2.gz OZCYIBLOGMPRRY-OAHLLOKOSA-N 1 2 333.457 2.501 40 0 EFABLO Cc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)c1 ZINC000257283633 474933021 /nfs/dbraw/zinc/93/30/21/474933021.db2.gz OZCYIBLOGMPRRY-OAHLLOKOSA-N 1 2 333.457 2.501 40 0 EFABLO Cc1c(CCC(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)cnn1C ZINC000257289569 474934365 /nfs/dbraw/zinc/93/43/65/474934365.db2.gz PZFYHFWRUIJZLA-UHFFFAOYSA-N 1 2 340.471 2.846 40 0 EFABLO CCOc1ncccc1C(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257293168 474936427 /nfs/dbraw/zinc/93/64/27/474936427.db2.gz QOKDINAYDMMYLN-HNNXBMFYSA-N 1 2 340.427 2.616 40 0 EFABLO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCO[C@H](c2nccnc2N)C1 ZINC000257297194 474938715 /nfs/dbraw/zinc/93/87/15/474938715.db2.gz RGGRDXAPCCCCDL-INIZCTEOSA-N 1 2 341.390 2.561 40 0 EFABLO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCO[C@H](c2nccnc2N)C1 ZINC000257297194 474938722 /nfs/dbraw/zinc/93/87/22/474938722.db2.gz RGGRDXAPCCCCDL-INIZCTEOSA-N 1 2 341.390 2.561 40 0 EFABLO C[C@]1(O)C[N@H+](Cc2ncccc2F)CC[C@@H]1Oc1cccc(F)c1 ZINC000257297766 474939262 /nfs/dbraw/zinc/93/92/62/474939262.db2.gz RISJHDYQZQNVRV-ROUUACIJSA-N 1 2 334.366 2.764 40 0 EFABLO C[C@]1(O)C[N@@H+](Cc2ncccc2F)CC[C@@H]1Oc1cccc(F)c1 ZINC000257297766 474939267 /nfs/dbraw/zinc/93/92/67/474939267.db2.gz RISJHDYQZQNVRV-ROUUACIJSA-N 1 2 334.366 2.764 40 0 EFABLO Cc1ccc2nc(C(=O)N3CC[N@@H+](C)[C@H](c4ccccc4)C3)cn2c1 ZINC000257302362 474943762 /nfs/dbraw/zinc/94/37/62/474943762.db2.gz SCPLBIHTAOQLLH-SFHVURJKSA-N 1 2 334.423 2.772 40 0 EFABLO Cc1ccc2nc(C(=O)N3CC[N@H+](C)[C@H](c4ccccc4)C3)cn2c1 ZINC000257302362 474943772 /nfs/dbraw/zinc/94/37/72/474943772.db2.gz SCPLBIHTAOQLLH-SFHVURJKSA-N 1 2 334.423 2.772 40 0 EFABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257306052 474943873 /nfs/dbraw/zinc/94/38/73/474943873.db2.gz SSRSVDZBSXDBSR-ICSRJNTNSA-N 1 2 341.455 2.760 40 0 EFABLO Cn1ccnc1C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000257306052 474943882 /nfs/dbraw/zinc/94/38/82/474943882.db2.gz SSRSVDZBSXDBSR-ICSRJNTNSA-N 1 2 341.455 2.760 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)[nH+]1 ZINC000257307846 474944434 /nfs/dbraw/zinc/94/44/34/474944434.db2.gz TUJJRALVPAROAK-CYBMUJFWSA-N 1 2 328.416 2.615 40 0 EFABLO COc1ccc([C@H]2C[N@H+](Cc3ccc(C)nc3)CCN2C(C)=O)cc1 ZINC000257312954 474947055 /nfs/dbraw/zinc/94/70/55/474947055.db2.gz UQJWWBGQNDBMTK-HXUWFJFHSA-N 1 2 339.439 2.804 40 0 EFABLO COc1ccc([C@H]2C[N@@H+](Cc3ccc(C)nc3)CCN2C(C)=O)cc1 ZINC000257312954 474947062 /nfs/dbraw/zinc/94/70/62/474947062.db2.gz UQJWWBGQNDBMTK-HXUWFJFHSA-N 1 2 339.439 2.804 40 0 EFABLO Cc1ccc(C(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)c(=O)[nH]1 ZINC000257310972 474948356 /nfs/dbraw/zinc/94/83/56/474948356.db2.gz UHJQSKLXGMPOKM-OAHLLOKOSA-N 1 2 340.427 2.576 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)cc[nH+]1 ZINC000257315788 474949302 /nfs/dbraw/zinc/94/93/02/474949302.db2.gz VCTHLQGLFMRJMW-OAHLLOKOSA-N 1 2 337.427 2.811 40 0 EFABLO CNc1cccc(CC[C@H]2CCCCN2C(=O)C2CCOCC2)[nH+]1 ZINC000257316307 474949412 /nfs/dbraw/zinc/94/94/12/474949412.db2.gz VEZXZQFDMMXJPN-QGZVFWFLSA-N 1 2 331.460 2.864 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc[nH+]1 ZINC000257320791 474951037 /nfs/dbraw/zinc/95/10/37/474951037.db2.gz VYRKENPMRBUBFL-AWEZNQCLSA-N 1 2 325.368 2.829 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257322159 474953875 /nfs/dbraw/zinc/95/38/75/474953875.db2.gz WEURKYUVWQLBIZ-HNNXBMFYSA-N 1 2 341.411 2.520 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)Cn2cnc3ccccc32)cc[nH+]1 ZINC000257324539 474956143 /nfs/dbraw/zinc/95/61/43/474956143.db2.gz WPEPHFBLNDXHSB-INIZCTEOSA-N 1 2 335.411 2.837 40 0 EFABLO CCc1cc(C(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)on1 ZINC000257330726 474958025 /nfs/dbraw/zinc/95/80/25/474958025.db2.gz XPQMUXCSMLLBOL-AWEZNQCLSA-N 1 2 328.416 2.718 40 0 EFABLO c1csc(-c2n[nH]cc2C[N@@H+]2CCO[C@H](c3cnccn3)C2)c1 ZINC000257332205 474959607 /nfs/dbraw/zinc/95/96/07/474959607.db2.gz XWFVQMHKRITGPK-AWEZNQCLSA-N 1 2 327.413 2.502 40 0 EFABLO c1csc(-c2n[nH]cc2C[N@H+]2CCO[C@H](c3cnccn3)C2)c1 ZINC000257332205 474959614 /nfs/dbraw/zinc/95/96/14/474959614.db2.gz XWFVQMHKRITGPK-AWEZNQCLSA-N 1 2 327.413 2.502 40 0 EFABLO Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000257335294 474960690 /nfs/dbraw/zinc/96/06/90/474960690.db2.gz YJNWQQAHKUDWDA-MRXNPFEDSA-N 1 2 343.475 2.909 40 0 EFABLO CCCn1nc(C)c(C(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)c1C ZINC000257337313 474961047 /nfs/dbraw/zinc/96/10/47/474961047.db2.gz YSHMDJRIBUYYII-OAHLLOKOSA-N 1 2 329.448 2.582 40 0 EFABLO CCCc1nnsc1C(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257340665 474962796 /nfs/dbraw/zinc/96/27/96/474962796.db2.gz ZHCSYLRLUKHYQK-AWEZNQCLSA-N 1 2 345.472 2.929 40 0 EFABLO CCCc1nnsc1C(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257340666 474963565 /nfs/dbraw/zinc/96/35/65/474963565.db2.gz ZHCSYLRLUKHYQK-CQSZACIVSA-N 1 2 345.472 2.929 40 0 EFABLO CN(C)c1nccnc1[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257344525 474964890 /nfs/dbraw/zinc/96/48/90/474964890.db2.gz ZXRSKQIXPNQLKB-GOSISDBHSA-N 1 2 349.438 2.664 40 0 EFABLO CN(C)c1nccnc1[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257344525 474964893 /nfs/dbraw/zinc/96/48/93/474964893.db2.gz ZXRSKQIXPNQLKB-GOSISDBHSA-N 1 2 349.438 2.664 40 0 EFABLO C[N@@H+]1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C[C@H]1c1ccccc1 ZINC000257344108 474965138 /nfs/dbraw/zinc/96/51/38/474965138.db2.gz ZVTZOJGKEWXODL-IBGZPJMESA-N 1 2 347.422 2.601 40 0 EFABLO C[N@H+]1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C[C@H]1c1ccccc1 ZINC000257344108 474965144 /nfs/dbraw/zinc/96/51/44/474965144.db2.gz ZVTZOJGKEWXODL-IBGZPJMESA-N 1 2 347.422 2.601 40 0 EFABLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CCC(C)=C(C)C1 ZINC000281330045 475173853 /nfs/dbraw/zinc/17/38/53/475173853.db2.gz JPPHANZRUSFUNC-UHFFFAOYSA-N 1 2 330.432 2.801 40 0 EFABLO COc1ccccc1CC(=O)N1CC([N@@H+]2CCc3sccc3C2)C1 ZINC000390828206 476802433 /nfs/dbraw/zinc/80/24/33/476802433.db2.gz PLQBIGYDZXHTAH-UHFFFAOYSA-N 1 2 342.464 2.568 40 0 EFABLO COc1ccccc1CC(=O)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000390828206 476802439 /nfs/dbraw/zinc/80/24/39/476802439.db2.gz PLQBIGYDZXHTAH-UHFFFAOYSA-N 1 2 342.464 2.568 40 0 EFABLO Cc1ccc([C@]23CCC[C@@H]4C[N@H+](Cc5cnc(N)nc5)[C@@H](O2)[C@@H]43)cc1 ZINC000409412927 476984353 /nfs/dbraw/zinc/98/43/53/476984353.db2.gz AMHBKTQICGWSHC-LBKNJMOBSA-N 1 2 336.439 2.851 40 0 EFABLO Cc1ccc([C@]23CCC[C@@H]4C[N@@H+](Cc5cnc(N)nc5)[C@@H](O2)[C@@H]43)cc1 ZINC000409412927 476984356 /nfs/dbraw/zinc/98/43/56/476984356.db2.gz AMHBKTQICGWSHC-LBKNJMOBSA-N 1 2 336.439 2.851 40 0 EFABLO Cc1ccc([C@]23CCC[C@@H]4C[N@H+](Cc5cnc(N)nc5)[C@@H](O2)[C@H]43)cc1 ZINC000409412926 476984396 /nfs/dbraw/zinc/98/43/96/476984396.db2.gz AMHBKTQICGWSHC-HYJFEMIMSA-N 1 2 336.439 2.851 40 0 EFABLO Cc1ccc([C@]23CCC[C@@H]4C[N@@H+](Cc5cnc(N)nc5)[C@@H](O2)[C@H]43)cc1 ZINC000409412926 476984402 /nfs/dbraw/zinc/98/44/02/476984402.db2.gz AMHBKTQICGWSHC-HYJFEMIMSA-N 1 2 336.439 2.851 40 0 EFABLO Cn1cnc2c1C[C@@H](COc1ncccc1F)[N@@H+](C1CCCC1)C2 ZINC000585094755 479279979 /nfs/dbraw/zinc/27/99/79/479279979.db2.gz KWSNMGCMAFXAQS-AWEZNQCLSA-N 1 2 330.407 2.703 40 0 EFABLO Cn1cnc2c1C[C@@H](COc1ncccc1F)[N@H+](C1CCCC1)C2 ZINC000585094755 479279987 /nfs/dbraw/zinc/27/99/87/479279987.db2.gz KWSNMGCMAFXAQS-AWEZNQCLSA-N 1 2 330.407 2.703 40 0 EFABLO Cn1c[nH+]c2c1C[C@@H](COc1ncccc1F)N(C1CCCC1)C2 ZINC000585094755 479279996 /nfs/dbraw/zinc/27/99/96/479279996.db2.gz KWSNMGCMAFXAQS-AWEZNQCLSA-N 1 2 330.407 2.703 40 0 EFABLO Cc1ccoc1C(=O)N1CCn2c(CCOCC3CC3)c[nH+]c2[C@@H]1C ZINC000585097742 479281902 /nfs/dbraw/zinc/28/19/02/479281902.db2.gz NSHYHBLAVQUERZ-AWEZNQCLSA-N 1 2 343.427 2.971 40 0 EFABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccsc1)C2)c1ccco1 ZINC000585103718 479284467 /nfs/dbraw/zinc/28/44/67/479284467.db2.gz ZDSZJXBPZYOYIS-OAHLLOKOSA-N 1 2 346.452 2.752 40 0 EFABLO COc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CCO3)c1 ZINC000585104108 479285713 /nfs/dbraw/zinc/28/57/13/479285713.db2.gz GCMHCJUJRZUZGB-GOSISDBHSA-N 1 2 340.423 2.903 40 0 EFABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)C1CCC1 ZINC000585112823 479288849 /nfs/dbraw/zinc/28/88/49/479288849.db2.gz XAVCIHKYWDFIJT-MRXNPFEDSA-N 1 2 344.484 2.808 40 0 EFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)C1CCC1 ZINC000585112823 479288857 /nfs/dbraw/zinc/28/88/57/479288857.db2.gz XAVCIHKYWDFIJT-MRXNPFEDSA-N 1 2 344.484 2.808 40 0 EFABLO O=C1CCCN1CC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112669 479289119 /nfs/dbraw/zinc/28/91/19/479289119.db2.gz VAEIHARAHOVSOD-OAHLLOKOSA-N 1 2 330.457 2.514 40 0 EFABLO O=C1CCCN1CC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112669 479289122 /nfs/dbraw/zinc/28/91/22/479289122.db2.gz VAEIHARAHOVSOD-OAHLLOKOSA-N 1 2 330.457 2.514 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)C(C)C)C2)cc1 ZINC000585112261 479289415 /nfs/dbraw/zinc/28/94/15/479289415.db2.gz LXRBPRPGIAASEN-SFHVURJKSA-N 1 2 340.471 2.911 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)C(C)C)C2)cc1 ZINC000585112261 479289421 /nfs/dbraw/zinc/28/94/21/479289421.db2.gz LXRBPRPGIAASEN-SFHVURJKSA-N 1 2 340.471 2.911 40 0 EFABLO Cc1ccccc1C[N@H+]1Cc2ccnn2[C@H](CCN2CCCC2=O)C1 ZINC000585111865 479289601 /nfs/dbraw/zinc/28/96/01/479289601.db2.gz DGKAEFXZVQSCLC-LJQANCHMSA-N 1 2 338.455 2.761 40 0 EFABLO Cc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](CCN2CCCC2=O)C1 ZINC000585111865 479289604 /nfs/dbraw/zinc/28/96/04/479289604.db2.gz DGKAEFXZVQSCLC-LJQANCHMSA-N 1 2 338.455 2.761 40 0 EFABLO Cc1noc(C)c1CCC(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000585182305 479301406 /nfs/dbraw/zinc/30/14/06/479301406.db2.gz NJWKNWFJWORQAP-INIZCTEOSA-N 1 2 342.443 2.746 40 0 EFABLO CC(C)n1ccnc1C[N@@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269231 479302949 /nfs/dbraw/zinc/30/29/49/479302949.db2.gz MDETVCCJHICXLG-IBGZPJMESA-N 1 2 329.444 2.870 40 0 EFABLO CC(C)n1ccnc1C[N@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269231 479302955 /nfs/dbraw/zinc/30/29/55/479302955.db2.gz MDETVCCJHICXLG-IBGZPJMESA-N 1 2 329.444 2.870 40 0 EFABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585289540 479309555 /nfs/dbraw/zinc/30/95/55/479309555.db2.gz RHWLEGJKBBBVIC-FNQZAJIHSA-N 1 2 345.830 2.671 40 0 EFABLO COc1cc(OC)cc(C(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000575605809 479450698 /nfs/dbraw/zinc/45/06/98/479450698.db2.gz MYSOUWFVARWIBI-MRXNPFEDSA-N 1 2 342.395 2.782 40 0 EFABLO COc1ccc(CNC(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000575611178 479452507 /nfs/dbraw/zinc/45/25/07/479452507.db2.gz BJOXILVKCIBVNC-SFHVURJKSA-N 1 2 341.411 2.843 40 0 EFABLO O=C([O-])c1ccc[nH+]c1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000647454478 481834584 /nfs/dbraw/zinc/83/45/84/481834584.db2.gz QXWFSKGUYALGGD-UHFFFAOYSA-N 1 2 343.349 2.997 40 0 EFABLO COc1ccccc1N1CC[C@H]([N@H+](Cc2ccccn2)C2CC2)C1=O ZINC000192719451 534152946 /nfs/dbraw/zinc/15/29/46/534152946.db2.gz QSAJWWRBOURWOB-SFHVURJKSA-N 1 2 337.423 2.860 40 0 EFABLO COc1ccccc1N1CC[C@H]([N@@H+](Cc2ccccn2)C2CC2)C1=O ZINC000192719451 534152955 /nfs/dbraw/zinc/15/29/55/534152955.db2.gz QSAJWWRBOURWOB-SFHVURJKSA-N 1 2 337.423 2.860 40 0 EFABLO Cc1[nH+]c2ccccc2n1CCCOC(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000076885879 534685084 /nfs/dbraw/zinc/68/50/84/534685084.db2.gz SQQPMTQMIRBFNH-AWEZNQCLSA-N 1 2 338.411 2.806 40 0 EFABLO CC(=O)N1CC[N@@H+](Cc2nc3ccccc3n2C)C[C@@H]1c1ccccc1 ZINC000257229216 534796632 /nfs/dbraw/zinc/79/66/32/534796632.db2.gz FXFHLNPKHHZYMG-HXUWFJFHSA-N 1 2 348.450 2.979 40 0 EFABLO CC(=O)N1CC[N@H+](Cc2nc3ccccc3n2C)C[C@@H]1c1ccccc1 ZINC000257229216 534796640 /nfs/dbraw/zinc/79/66/40/534796640.db2.gz FXFHLNPKHHZYMG-HXUWFJFHSA-N 1 2 348.450 2.979 40 0 EFABLO CN(C(=O)Cn1cnc2ccccc21)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257254915 536013158 /nfs/dbraw/zinc/01/31/58/536013158.db2.gz KFFMMJXBQADBMS-MRXNPFEDSA-N 1 2 349.438 2.559 40 0 EFABLO COC(=O)c1cnoc1C[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000242339328 536840497 /nfs/dbraw/zinc/84/04/97/536840497.db2.gz ZGXZRPBDCLWWKN-LLVKDONJSA-N 1 2 336.775 2.768 40 0 EFABLO COC(=O)c1cnoc1C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000242339328 536840503 /nfs/dbraw/zinc/84/05/03/536840503.db2.gz ZGXZRPBDCLWWKN-LLVKDONJSA-N 1 2 336.775 2.768 40 0 EFABLO O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N1CCCC(F)(F)CC1 ZINC000685939096 550197032 /nfs/dbraw/zinc/19/70/32/550197032.db2.gz BNYDYECMPZBEIW-UHFFFAOYSA-N 1 2 335.358 2.980 40 0 EFABLO CN(CCCOCc1ccccc1)c1ncnc2c1C[N@H+](C)CC2 ZINC000225580580 564018388 /nfs/dbraw/zinc/01/83/88/564018388.db2.gz APJLKWHDQNSOFN-UHFFFAOYSA-N 1 2 326.444 2.508 40 0 EFABLO CN(CCCOCc1ccccc1)c1ncnc2c1C[N@@H+](C)CC2 ZINC000225580580 564018389 /nfs/dbraw/zinc/01/83/89/564018389.db2.gz APJLKWHDQNSOFN-UHFFFAOYSA-N 1 2 326.444 2.508 40 0 EFABLO C[N@@H+]1CCc2nc(NC(=O)[C@]3(c4ccccc4)CCCO3)sc2C1 ZINC000891639343 714892556 /nfs/dbraw/zinc/89/25/56/714892556.db2.gz QNQQBTUOKWGXJA-GOSISDBHSA-N 1 2 343.452 2.775 40 0 EFABLO C[N@H+]1CCc2nc(NC(=O)[C@]3(c4ccccc4)CCCO3)sc2C1 ZINC000891639343 714892559 /nfs/dbraw/zinc/89/25/59/714892559.db2.gz QNQQBTUOKWGXJA-GOSISDBHSA-N 1 2 343.452 2.775 40 0 EFABLO COCc1ccc([C@H]2COCCN2c2cc(C)[nH+]c(C3CC3)n2)o1 ZINC000895754455 724298909 /nfs/dbraw/zinc/29/89/09/724298909.db2.gz OFNJPKKNKDUYLS-OAHLLOKOSA-N 1 2 329.400 2.980 40 0 EFABLO COCc1ccc([C@@H]2COCCN2c2cc(C)[nH+]c(C3CC3)n2)o1 ZINC000895754454 724299188 /nfs/dbraw/zinc/29/91/88/724299188.db2.gz OFNJPKKNKDUYLS-HNNXBMFYSA-N 1 2 329.400 2.980 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2ccccn2)C1 ZINC000012116451 201825788 /nfs/dbraw/zinc/82/57/88/201825788.db2.gz CMGCEGLZUTWHLX-HNNXBMFYSA-N 1 2 349.438 2.501 40 0 EFABLO Cc1csc2c(C3CCN(C(=O)c4cc[nH]n4)CC3)[nH+]c(C)n12 ZINC000019240560 202000451 /nfs/dbraw/zinc/00/04/51/202000451.db2.gz MTQPDQAJHIHQDO-UHFFFAOYSA-N 1 2 329.429 2.756 40 0 EFABLO Cc1csc2c(C3CCN(C(=O)c4ccn[nH]4)CC3)[nH+]c(C)n12 ZINC000019240560 202000456 /nfs/dbraw/zinc/00/04/56/202000456.db2.gz MTQPDQAJHIHQDO-UHFFFAOYSA-N 1 2 329.429 2.756 40 0 EFABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccc(O)cc1)C2 ZINC000019340084 202006292 /nfs/dbraw/zinc/00/62/92/202006292.db2.gz SCVXUUVLFOYVKT-UHFFFAOYSA-N 1 2 334.379 2.508 40 0 EFABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccc(O)cc1)C2 ZINC000019340084 202006295 /nfs/dbraw/zinc/00/62/95/202006295.db2.gz SCVXUUVLFOYVKT-UHFFFAOYSA-N 1 2 334.379 2.508 40 0 EFABLO C[C@@H](CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1)n1cccn1 ZINC000019455426 202008801 /nfs/dbraw/zinc/00/88/01/202008801.db2.gz SYYMBATUVISZAO-GUYCJALGSA-N 1 2 341.390 2.613 40 0 EFABLO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000019573594 202013964 /nfs/dbraw/zinc/01/39/64/202013964.db2.gz XJDXOTIHIHHXCX-CQSZACIVSA-N 1 2 336.482 2.926 40 0 EFABLO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC000019573594 202013968 /nfs/dbraw/zinc/01/39/68/202013968.db2.gz XJDXOTIHIHHXCX-CQSZACIVSA-N 1 2 336.482 2.926 40 0 EFABLO Cc1[nH+]c2ccc(Cl)cn2c1CN1CCN(C2CCCC2)C(=O)C1 ZINC000019658708 202015244 /nfs/dbraw/zinc/01/52/44/202015244.db2.gz OPQCUVFXAVEUIJ-UHFFFAOYSA-N 1 2 346.862 2.883 40 0 EFABLO COc1ccccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cn(C)nc1C ZINC000019658826 202015320 /nfs/dbraw/zinc/01/53/20/202015320.db2.gz JGMWKWGYWJYKDP-INIZCTEOSA-N 1 2 328.416 2.513 40 0 EFABLO COc1ccccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cn(C)nc1C ZINC000019658826 202015323 /nfs/dbraw/zinc/01/53/23/202015323.db2.gz JGMWKWGYWJYKDP-INIZCTEOSA-N 1 2 328.416 2.513 40 0 EFABLO O=C(C[NH+]1CCC(Oc2ccccc2F)CC1)Nc1nccs1 ZINC000019657769 202015861 /nfs/dbraw/zinc/01/58/61/202015861.db2.gz SFGZVAOJKGAWAM-UHFFFAOYSA-N 1 2 335.404 2.764 40 0 EFABLO Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000184147493 235317725 /nfs/dbraw/zinc/31/77/25/235317725.db2.gz FILXBKXCBYKACG-UHFFFAOYSA-N 1 2 341.459 2.872 40 0 EFABLO Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CC[NH+](C)CC1 ZINC000022245408 202082197 /nfs/dbraw/zinc/08/21/97/202082197.db2.gz DTZGIXTWAPKIHK-UHFFFAOYSA-N 1 2 330.457 2.607 40 0 EFABLO COc1ccc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000022530623 202087553 /nfs/dbraw/zinc/08/75/53/202087553.db2.gz BLZPDDLSQTXHDV-UHFFFAOYSA-N 1 2 337.379 2.576 40 0 EFABLO CN1CCC[NH+]=C1OC(=O)[C@@](CO)(c1ccccc1)C1CCCCC1 ZINC000021986183 202076007 /nfs/dbraw/zinc/07/60/07/202076007.db2.gz OLQJLSQMLGCKLY-FQEVSTJZSA-N 1 2 344.455 2.732 40 0 EFABLO CN1CCC[NH+]=C1OC(=O)[C@](CO)(c1ccccc1)C1CCCCC1 ZINC000021986181 202076386 /nfs/dbraw/zinc/07/63/86/202076386.db2.gz OLQJLSQMLGCKLY-HXUWFJFHSA-N 1 2 344.455 2.732 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000022750087 202091088 /nfs/dbraw/zinc/09/10/88/202091088.db2.gz YUGBGALPSZULBN-KRWDZBQOSA-N 1 2 335.363 2.668 40 0 EFABLO CCN1c2ccccc2[N@@H+](CC(=O)c2ccc(OC)c(OC)c2)C1=N ZINC000025286805 202128695 /nfs/dbraw/zinc/12/86/95/202128695.db2.gz BSSYLUHTONGEMS-UHFFFAOYSA-N 1 2 339.395 2.842 40 0 EFABLO CCN1c2ccccc2[N@H+](CC(=O)c2ccc(OC)c(OC)c2)C1=N ZINC000025286805 202128698 /nfs/dbraw/zinc/12/86/98/202128698.db2.gz BSSYLUHTONGEMS-UHFFFAOYSA-N 1 2 339.395 2.842 40 0 EFABLO Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(O)cc3)CC2)on1 ZINC000025680568 202134192 /nfs/dbraw/zinc/13/41/92/202134192.db2.gz DPHKMVJLJXPDMX-CYBMUJFWSA-N 1 2 327.384 2.805 40 0 EFABLO Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(O)cc3)CC2)on1 ZINC000025680568 202134196 /nfs/dbraw/zinc/13/41/96/202134196.db2.gz DPHKMVJLJXPDMX-CYBMUJFWSA-N 1 2 327.384 2.805 40 0 EFABLO O=C(/C=C1/SC(=O)N(C[NH+]2CCCCC2)C1=O)Nc1ccccc1 ZINC000028466238 202171953 /nfs/dbraw/zinc/17/19/53/202171953.db2.gz SFDCBSANOCZLET-SDNWHVSQSA-N 1 2 345.424 2.648 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccc(F)c1 ZINC000029081395 202180631 /nfs/dbraw/zinc/18/06/31/202180631.db2.gz XZCRZDLDMRURFL-KRWDZBQOSA-N 1 2 349.369 2.955 40 0 EFABLO O=S(=O)(Cc1ccc(F)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000030752893 202198019 /nfs/dbraw/zinc/19/80/19/202198019.db2.gz ANPVOGHWQIRMSL-UHFFFAOYSA-N 1 2 345.399 2.631 40 0 EFABLO [NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)[N@@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622929 202306705 /nfs/dbraw/zinc/30/67/05/202306705.db2.gz RLESGJVQEIMGDD-PKOBYXMFSA-N 1 2 340.423 2.672 40 0 EFABLO [NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000035622929 202306709 /nfs/dbraw/zinc/30/67/09/202306709.db2.gz RLESGJVQEIMGDD-PKOBYXMFSA-N 1 2 340.423 2.672 40 0 EFABLO CC(C)([NH2+]Cc1csc(CS(C)(=O)=O)n1)c1ccc(F)cc1 ZINC000072607344 202365696 /nfs/dbraw/zinc/36/56/96/202365696.db2.gz BFTUHUJUAUHKED-UHFFFAOYSA-N 1 2 342.461 2.852 40 0 EFABLO O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1ccc2c(c1)COCO2 ZINC000073733541 202366667 /nfs/dbraw/zinc/36/66/67/202366667.db2.gz MYSBHSUXTHJKIL-UHFFFAOYSA-N 1 2 335.363 2.669 40 0 EFABLO CC(C)c1nc(C(=O)N2CCN(C3=[NH+]C[C@H](C)S3)CC2)cs1 ZINC000073119245 202368106 /nfs/dbraw/zinc/36/81/06/202368106.db2.gz ZJOZZDAATRALRM-NSHDSACASA-N 1 2 338.502 2.516 40 0 EFABLO Cc1ccc([C@H]2CSCC[N@@H+]2Cc2cc(=O)n3ccsc3n2)o1 ZINC000072826816 202368493 /nfs/dbraw/zinc/36/84/93/202368493.db2.gz NCVBYQXJHKWNLY-CYBMUJFWSA-N 1 2 347.465 2.948 40 0 EFABLO Cc1ccc([C@H]2CSCC[N@H+]2Cc2cc(=O)n3ccsc3n2)o1 ZINC000072826816 202368496 /nfs/dbraw/zinc/36/84/96/202368496.db2.gz NCVBYQXJHKWNLY-CYBMUJFWSA-N 1 2 347.465 2.948 40 0 EFABLO C[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)Oc1ccccc1 ZINC000073038329 202368551 /nfs/dbraw/zinc/36/85/51/202368551.db2.gz VJCPBNOKHXXEHP-OAHLLOKOSA-N 1 2 342.443 2.529 40 0 EFABLO CCn1nc(C)c2nc(C(C)C)nc(NCCCn3cc[nH+]c3)c21 ZINC000072238347 202356351 /nfs/dbraw/zinc/35/63/51/202356351.db2.gz PHAOLZNDUHTVPT-UHFFFAOYSA-N 1 2 327.436 2.977 40 0 EFABLO COc1cc(F)c([C@H](C)NC(=O)CCCn2cc[nH+]c2)cc1OC ZINC000074609374 202372860 /nfs/dbraw/zinc/37/28/60/202372860.db2.gz QBWPEPVKPUJJAY-LBPRGKRZSA-N 1 2 335.379 2.697 40 0 EFABLO CC(C)(C)OC(=O)C[NH+]1CCC(c2nnc(C(F)(F)F)o2)CC1 ZINC000075165334 202377453 /nfs/dbraw/zinc/37/74/53/202377453.db2.gz ZSFXGDDVRJJZEU-UHFFFAOYSA-N 1 2 335.326 2.610 40 0 EFABLO CCc1noc([C@H](C)[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)n1 ZINC000075917310 202379259 /nfs/dbraw/zinc/37/92/59/202379259.db2.gz IKRJKSJSYVPOMI-LBPRGKRZSA-N 1 2 342.399 2.708 40 0 EFABLO CCc1noc([C@H](C)[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)n1 ZINC000075917310 202379264 /nfs/dbraw/zinc/37/92/64/202379264.db2.gz IKRJKSJSYVPOMI-LBPRGKRZSA-N 1 2 342.399 2.708 40 0 EFABLO CC[C@H]1CN(C(=O)NCc2[nH+]ccn2Cc2ccccc2)C[C@H](C)O1 ZINC000075456856 202380624 /nfs/dbraw/zinc/38/06/24/202380624.db2.gz CJCSNUYCJQXUSO-RDJZCZTQSA-N 1 2 342.443 2.640 40 0 EFABLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2nccn2C)CC1 ZINC000075504029 202381153 /nfs/dbraw/zinc/38/11/53/202381153.db2.gz NYVQBQXAQBUDLU-CYBMUJFWSA-N 1 2 332.835 2.593 40 0 EFABLO Cc1ncsc1CNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000078446724 202395961 /nfs/dbraw/zinc/39/59/61/202395961.db2.gz LTACLCFIKQIJPJ-OAHLLOKOSA-N 1 2 341.440 2.774 40 0 EFABLO CNC(=O)c1ccc(C[NH2+]C2(C(=O)OC(C)(C)C)CCCC2)cc1 ZINC000077317923 202391120 /nfs/dbraw/zinc/39/11/20/202391120.db2.gz JDFLSFGLZIWAMN-UHFFFAOYSA-N 1 2 332.444 2.790 40 0 EFABLO CSCC[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000077348171 202391641 /nfs/dbraw/zinc/39/16/41/202391641.db2.gz AENCTHHJLPQOQF-CQSZACIVSA-N 1 2 332.473 2.872 40 0 EFABLO O=C(NCC[NH+]1CCOCC1)Nc1cccc(N2CCCCCC2)c1 ZINC000077723858 202393550 /nfs/dbraw/zinc/39/35/50/202393550.db2.gz BSZFZIMVINHYLD-UHFFFAOYSA-N 1 2 346.475 2.521 40 0 EFABLO CCOC(=O)C1CCC(O)(Cn2c[nH+]c3cc(F)c(F)cc32)CC1 ZINC000191439946 201052894 /nfs/dbraw/zinc/05/28/94/201052894.db2.gz BFMAQICMUAUDCW-UHFFFAOYSA-N 1 2 338.354 2.799 40 0 EFABLO O=C(NC[C@H](c1ccco1)[NH+]1CCSCC1)c1cc(C2CC2)on1 ZINC000253403116 201186833 /nfs/dbraw/zinc/18/68/33/201186833.db2.gz PIYMETWKFMWSLY-CQSZACIVSA-N 1 2 347.440 2.665 40 0 EFABLO CC[C@H](O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000156083107 201399005 /nfs/dbraw/zinc/39/90/05/201399005.db2.gz DVHLAZBGHDRCET-RISCZKNCSA-N 1 2 338.452 2.892 40 0 EFABLO C[N@@H+]1CCc2nc(NC(=O)c3cc(-c4ccccc4)[nH]n3)sc2C1 ZINC000023609216 212384143 /nfs/dbraw/zinc/38/41/43/212384143.db2.gz OORNGCFOSUCIAK-UHFFFAOYSA-N 1 2 339.424 2.773 40 0 EFABLO C[N@H+]1CCc2nc(NC(=O)c3cc(-c4ccccc4)[nH]n3)sc2C1 ZINC000023609216 212384147 /nfs/dbraw/zinc/38/41/47/212384147.db2.gz OORNGCFOSUCIAK-UHFFFAOYSA-N 1 2 339.424 2.773 40 0 EFABLO COc1ccc(F)cc1C(=O)N1CCC[C@H](c2[nH+]c(C)cn2C)C1 ZINC000257341377 240312649 /nfs/dbraw/zinc/31/26/49/240312649.db2.gz ZKBOHHQQISGFPH-ZDUSSCGKSA-N 1 2 331.391 2.896 40 0 EFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257339727 240313328 /nfs/dbraw/zinc/31/33/28/240313328.db2.gz ZCXXRQLTLAMMLB-INIZCTEOSA-N 1 2 349.438 2.690 40 0 EFABLO CCS(=O)(=O)c1ccccc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195576142 241023322 /nfs/dbraw/zinc/02/33/22/241023322.db2.gz LERTWRAFZYJFBY-HNNXBMFYSA-N 1 2 345.468 2.814 40 0 EFABLO Cc1nc(C2CC2)ncc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225791958 242037800 /nfs/dbraw/zinc/03/78/00/242037800.db2.gz IGASMKPODDMTBK-UHFFFAOYSA-N 1 2 336.439 2.620 40 0 EFABLO CCOC(=O)c1c(C)oc2nc(C[NH+]3CCC(C)CC3)[nH]c(=O)c21 ZINC000021578917 212233164 /nfs/dbraw/zinc/23/31/64/212233164.db2.gz SVZPWDPTZBGQTC-UHFFFAOYSA-N 1 2 333.388 2.645 40 0 EFABLO O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)c1ccco1 ZINC000241776883 243000664 /nfs/dbraw/zinc/00/06/64/243000664.db2.gz RTINWWJNGQJVIS-DLBZAZTESA-N 1 2 338.411 2.948 40 0 EFABLO O[C@H](C[C@@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)c1ccco1 ZINC000241776883 243000669 /nfs/dbraw/zinc/00/06/69/243000669.db2.gz RTINWWJNGQJVIS-DLBZAZTESA-N 1 2 338.411 2.948 40 0 EFABLO O=C(CCc1ccccc1)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000090703114 203004452 /nfs/dbraw/zinc/00/44/52/203004452.db2.gz RGQUZVOHNHPRBG-UHFFFAOYSA-N 1 2 348.450 2.611 40 0 EFABLO COc1ccc2[nH+]c(N3CCC[C@@H](N4CCNC4=O)C3)c(C)cc2c1 ZINC000091617120 203075602 /nfs/dbraw/zinc/07/56/02/203075602.db2.gz PPQGOTGMWRMSKH-OAHLLOKOSA-N 1 2 340.427 2.546 40 0 EFABLO Cc1cc(C(=O)N2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)c(C)o1 ZINC000092185774 203079651 /nfs/dbraw/zinc/07/96/51/203079651.db2.gz LQGGMLRATUPRDN-UHFFFAOYSA-N 1 2 344.459 2.875 40 0 EFABLO c1csc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)n1 ZINC000253596457 244030933 /nfs/dbraw/zinc/03/09/33/244030933.db2.gz RMFXZVVPINCOKS-AWEZNQCLSA-N 1 2 333.482 2.815 40 0 EFABLO Cc1ccsc1C[N@H+]1CCn2cc(CC(=O)NC(C)C)nc2[C@H]1C ZINC000253598417 244032675 /nfs/dbraw/zinc/03/26/75/244032675.db2.gz AYTLPVKQZOJNHA-CQSZACIVSA-N 1 2 346.500 2.897 40 0 EFABLO Cc1ccsc1C[N@@H+]1CCn2cc(CC(=O)NC(C)C)nc2[C@H]1C ZINC000253598417 244032681 /nfs/dbraw/zinc/03/26/81/244032681.db2.gz AYTLPVKQZOJNHA-CQSZACIVSA-N 1 2 346.500 2.897 40 0 EFABLO c1ccc(OC[C@@H]2C[C@@H]3OCC[N@H+](Cc4cccnc4)[C@H]3C2)nc1 ZINC000253602607 244034416 /nfs/dbraw/zinc/03/44/16/244034416.db2.gz QFJGJMZLFSPXDA-BZSNNMDCSA-N 1 2 325.412 2.535 40 0 EFABLO c1ccc(OC[C@@H]2C[C@@H]3OCC[N@@H+](Cc4cccnc4)[C@H]3C2)nc1 ZINC000253602607 244034421 /nfs/dbraw/zinc/03/44/21/244034421.db2.gz QFJGJMZLFSPXDA-BZSNNMDCSA-N 1 2 325.412 2.535 40 0 EFABLO Cn1c[nH+]cc1-c1cccc(CC2CCN(c3ncccn3)CC2)n1 ZINC000257206613 244135200 /nfs/dbraw/zinc/13/52/00/244135200.db2.gz BEEJROZEOMZSIK-UHFFFAOYSA-N 1 2 334.427 2.731 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000257203310 244126016 /nfs/dbraw/zinc/12/60/16/244126016.db2.gz APLRZILOOSLVEK-CQSZACIVSA-N 1 2 345.447 2.574 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)[nH+]1 ZINC000257209229 244143669 /nfs/dbraw/zinc/14/36/69/244143669.db2.gz BPMQZTAPWHYBBA-CQSZACIVSA-N 1 2 340.427 2.717 40 0 EFABLO Cc1cc(CC2CCN(C(=O)CN3CCCCCC3=O)CC2)cc[nH+]1 ZINC000257208650 244144714 /nfs/dbraw/zinc/14/47/14/244144714.db2.gz BNAANIZNPOZFGF-UHFFFAOYSA-N 1 2 343.471 2.574 40 0 EFABLO Cc1nc(CC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)cs1 ZINC000257208900 244144887 /nfs/dbraw/zinc/14/48/87/244144887.db2.gz BNZYPGQQPZKTRT-OAHLLOKOSA-N 1 2 330.457 2.516 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)[nH+]1 ZINC000257209652 244147572 /nfs/dbraw/zinc/14/75/72/244147572.db2.gz BRIJQHLLHUEPAN-ZDUSSCGKSA-N 1 2 337.379 2.844 40 0 EFABLO Cc1c[nH]c([C@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)n1 ZINC000257221289 244185418 /nfs/dbraw/zinc/18/54/18/244185418.db2.gz DOHVQPDFLFPEJF-QGZVFWFLSA-N 1 2 335.411 2.749 40 0 EFABLO Cc1c[nH]c([C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)n1 ZINC000257221289 244185424 /nfs/dbraw/zinc/18/54/24/244185424.db2.gz DOHVQPDFLFPEJF-QGZVFWFLSA-N 1 2 335.411 2.749 40 0 EFABLO CCn1cc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2c2ccccc2)c(C)n1 ZINC000257222272 244188791 /nfs/dbraw/zinc/18/87/91/244188791.db2.gz DSQHTEOUMHMWBB-LJQANCHMSA-N 1 2 326.444 2.617 40 0 EFABLO CCn1cc(C[N@H+]2CCN(C(C)=O)C[C@@H]2c2ccccc2)c(C)n1 ZINC000257222272 244188796 /nfs/dbraw/zinc/18/87/96/244188796.db2.gz DSQHTEOUMHMWBB-LJQANCHMSA-N 1 2 326.444 2.617 40 0 EFABLO Cc1[nH+]c2ccccn2c1CC(=O)N(C)C[C@H]1Cc2ccccc2O1 ZINC000257224018 244193899 /nfs/dbraw/zinc/19/38/99/244193899.db2.gz DZXYBCMCKMBIBY-MRXNPFEDSA-N 1 2 335.407 2.647 40 0 EFABLO CCn1nc(C)c(C[N@@H+]2CCO[C@@H](c3cccc(N(C)C)n3)C2)c1C ZINC000257224467 244194819 /nfs/dbraw/zinc/19/48/19/244194819.db2.gz FBYLGHNHOXIYIL-GOSISDBHSA-N 1 2 343.475 2.554 40 0 EFABLO CCn1nc(C)c(C[N@H+]2CCO[C@@H](c3cccc(N(C)C)n3)C2)c1C ZINC000257224467 244194826 /nfs/dbraw/zinc/19/48/26/244194826.db2.gz FBYLGHNHOXIYIL-GOSISDBHSA-N 1 2 343.475 2.554 40 0 EFABLO COc1cccc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000257224134 244195520 /nfs/dbraw/zinc/19/55/20/244195520.db2.gz FALYCTFOGCJZMN-INIZCTEOSA-N 1 2 325.412 2.831 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3nc(C(C)C)no3)C2)[nH+]1 ZINC000257227866 244206915 /nfs/dbraw/zinc/20/69/15/244206915.db2.gz FRHJUMRCUQKPTQ-CQSZACIVSA-N 1 2 345.447 2.574 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)[nH+]1 ZINC000257230078 244209347 /nfs/dbraw/zinc/20/93/47/244209347.db2.gz GASJULBPHXKDMT-MRXNPFEDSA-N 1 2 339.443 2.701 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000072369753 203209108 /nfs/dbraw/zinc/20/91/08/203209108.db2.gz ZWLAGSYYWFXAHL-MRXNPFEDSA-N 1 2 349.438 2.768 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](c2nc(C)cc(C)n2)C1 ZINC000072369754 203209550 /nfs/dbraw/zinc/20/95/50/203209550.db2.gz ZWLAGSYYWFXAHL-INIZCTEOSA-N 1 2 349.438 2.768 40 0 EFABLO O=C(Cc1ccccc1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378434 203209565 /nfs/dbraw/zinc/20/95/65/203209565.db2.gz GCEBFFUAIFBFME-QGZVFWFLSA-N 1 2 333.395 2.569 40 0 EFABLO COCC[N@@H+]1CCCC[C@H]1c1cc(Nc2nncs2)nc(C)n1 ZINC000072382690 203211111 /nfs/dbraw/zinc/21/11/11/203211111.db2.gz ICJXHCHWMVKBFK-ZDUSSCGKSA-N 1 2 334.449 2.554 40 0 EFABLO COCC[N@H+]1CCCC[C@H]1c1cc(Nc2nncs2)nc(C)n1 ZINC000072382690 203211112 /nfs/dbraw/zinc/21/11/12/203211112.db2.gz ICJXHCHWMVKBFK-ZDUSSCGKSA-N 1 2 334.449 2.554 40 0 EFABLO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2nccn2C(C)C)nc1 ZINC000257233863 244223015 /nfs/dbraw/zinc/22/30/15/244223015.db2.gz GRCCJHIIFJZYJK-GOSISDBHSA-N 1 2 341.459 2.832 40 0 EFABLO CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)nc1 ZINC000257233863 244223019 /nfs/dbraw/zinc/22/30/19/244223019.db2.gz GRCCJHIIFJZYJK-GOSISDBHSA-N 1 2 341.459 2.832 40 0 EFABLO c1c[nH+]c(CN2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)[nH]1 ZINC000257235046 244226811 /nfs/dbraw/zinc/22/68/11/244226811.db2.gz GWELTLXMTOMSHA-OAHLLOKOSA-N 1 2 336.399 2.517 40 0 EFABLO Cn1ccnc1-c1cnc(C[C@@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000257236513 244229101 /nfs/dbraw/zinc/22/91/01/244229101.db2.gz HCNKJEYZZPPBMP-HNNXBMFYSA-N 1 2 334.427 2.731 40 0 EFABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)C(C)C)C3)n2)n1C ZINC000257236634 244229131 /nfs/dbraw/zinc/22/91/31/244229131.db2.gz HDAPZRZHCNKGPY-OAHLLOKOSA-N 1 2 341.459 2.623 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)cc[nH+]1 ZINC000257237179 244233231 /nfs/dbraw/zinc/23/32/31/244233231.db2.gz HFLSXUHXRWITNK-MRXNPFEDSA-N 1 2 325.412 2.908 40 0 EFABLO c1c[nH]c(C[N@@H+]2CCC[C@H](c3cncc(Nc4ccccn4)n3)C2)n1 ZINC000072354371 203204382 /nfs/dbraw/zinc/20/43/82/203204382.db2.gz AEWYSZXNTBCRLC-AWEZNQCLSA-N 1 2 335.415 2.718 40 0 EFABLO c1c[nH]c(C[N@H+]2CCC[C@H](c3cncc(Nc4ccccn4)n3)C2)n1 ZINC000072354371 203204385 /nfs/dbraw/zinc/20/43/85/203204385.db2.gz AEWYSZXNTBCRLC-AWEZNQCLSA-N 1 2 335.415 2.718 40 0 EFABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN(c3cc(C)ncn3)C2)n1 ZINC000072355590 203205043 /nfs/dbraw/zinc/20/50/43/203205043.db2.gz ZARMBDDZYIHEJD-HNNXBMFYSA-N 1 2 349.442 2.707 40 0 EFABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072360407 203206306 /nfs/dbraw/zinc/20/63/06/203206306.db2.gz FRHOIOQCWBPBGQ-HNNXBMFYSA-N 1 2 335.415 2.984 40 0 EFABLO Cc1nc(N2CCC[C@@](C)(C(=O)NCCc3ccccc3)C2)cc[nH+]1 ZINC000257253110 244273774 /nfs/dbraw/zinc/27/37/74/244273774.db2.gz JXPIEQIJFUKLSE-HXUWFJFHSA-N 1 2 338.455 2.750 40 0 EFABLO Cc1nc(C[N@@H+]2[C@H](c3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)no1 ZINC000257265391 244362442 /nfs/dbraw/zinc/36/24/42/244362442.db2.gz LYLUNWJOJCFPAQ-BXWFABGCSA-N 1 2 340.427 2.752 40 0 EFABLO Cc1nc(C[N@H+]2[C@H](c3ccccc3)C[C@]3(C)NC(=O)CCC[C@H]23)no1 ZINC000257265391 244362453 /nfs/dbraw/zinc/36/24/53/244362453.db2.gz LYLUNWJOJCFPAQ-BXWFABGCSA-N 1 2 340.427 2.752 40 0 EFABLO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257268892 244369809 /nfs/dbraw/zinc/36/98/09/244369809.db2.gz MNRQUPCXBFMWIS-HNNXBMFYSA-N 1 2 335.415 2.686 40 0 EFABLO Cn1ccnc1C[N@H+]1CCC[C@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257268892 244369813 /nfs/dbraw/zinc/36/98/13/244369813.db2.gz MNRQUPCXBFMWIS-HNNXBMFYSA-N 1 2 335.415 2.686 40 0 EFABLO Cc1cnc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cn1 ZINC000257270634 244375353 /nfs/dbraw/zinc/37/53/53/244375353.db2.gz MVAHYYOIDYPNQJ-HNNXBMFYSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1cnc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cn1 ZINC000257270634 244375363 /nfs/dbraw/zinc/37/53/63/244375363.db2.gz MVAHYYOIDYPNQJ-HNNXBMFYSA-N 1 2 341.440 2.810 40 0 EFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C[C@]12CCCO2 ZINC000257264946 244357901 /nfs/dbraw/zinc/35/79/01/244357901.db2.gz LWQDPGKQSSOVBD-IEBWSBKVSA-N 1 2 332.444 2.628 40 0 EFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)C[C@]12CCCO2 ZINC000257264946 244357908 /nfs/dbraw/zinc/35/79/08/244357908.db2.gz LWQDPGKQSSOVBD-IEBWSBKVSA-N 1 2 332.444 2.628 40 0 EFABLO O=C(N1CCCC1)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000257272626 244384196 /nfs/dbraw/zinc/38/41/96/244384196.db2.gz NDDOZJHEBZDWDJ-FQEVSTJZSA-N 1 2 336.439 2.590 40 0 EFABLO O=C(N1CCCC1)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1ccccc1 ZINC000257272626 244384203 /nfs/dbraw/zinc/38/42/03/244384203.db2.gz NDDOZJHEBZDWDJ-FQEVSTJZSA-N 1 2 336.439 2.590 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)[nH+]1 ZINC000257273686 244386012 /nfs/dbraw/zinc/38/60/12/244386012.db2.gz NHSOCSXGBMWUBK-CYBMUJFWSA-N 1 2 329.448 2.769 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(CC(C)C)no3)C2)[nH+]1 ZINC000257274885 244389744 /nfs/dbraw/zinc/38/97/44/244389744.db2.gz NNAVFLXFFOCOSP-AWEZNQCLSA-N 1 2 330.432 2.935 40 0 EFABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(C(=O)Cc1cccs1)C2 ZINC000096044932 203803200 /nfs/dbraw/zinc/80/32/00/203803200.db2.gz MCICIQZEAALCSH-AWEZNQCLSA-N 1 2 345.468 2.577 40 0 EFABLO Cc1ccoc1C(=O)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096206782 203866722 /nfs/dbraw/zinc/86/67/22/203866722.db2.gz BPRSISAMBILWKM-DNVCBOLYSA-N 1 2 341.411 2.859 40 0 EFABLO COc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccn2)cc1 ZINC000041529174 204046197 /nfs/dbraw/zinc/04/61/97/204046197.db2.gz ZVTSSUXWXXBJBZ-UHFFFAOYSA-N 1 2 332.367 2.831 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)n1 ZINC000107716601 204245046 /nfs/dbraw/zinc/24/50/46/204245046.db2.gz CKYDYUFPEUNXNF-GBESFXJTSA-N 1 2 325.412 2.596 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)n1 ZINC000107716601 204245050 /nfs/dbraw/zinc/24/50/50/204245050.db2.gz CKYDYUFPEUNXNF-GBESFXJTSA-N 1 2 325.412 2.596 40 0 EFABLO COc1[nH+]ccc(N(C)C)c1NC(=O)c1ccc(F)c(F)c1F ZINC000095410954 218348436 /nfs/dbraw/zinc/34/84/36/218348436.db2.gz ZDYQWGUAGFVBMI-UHFFFAOYSA-N 1 2 325.290 2.826 40 0 EFABLO CCc1cnc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)s1 ZINC000174602315 207034849 /nfs/dbraw/zinc/03/48/49/207034849.db2.gz DVUPMBRZJFXFEO-MRXNPFEDSA-N 1 2 345.468 2.842 40 0 EFABLO COc1cc2c(cc1OC)CN(C(=O)Nc1cc[nH+]c(C)c1)CC2 ZINC000179806226 207691561 /nfs/dbraw/zinc/69/15/61/207691561.db2.gz KRZDLWCMXPJPHW-UHFFFAOYSA-N 1 2 327.384 2.997 40 0 EFABLO Cc1cc(NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)cc[nH+]1 ZINC000096420820 218785797 /nfs/dbraw/zinc/78/57/97/218785797.db2.gz RKFAMFGLUWFQPS-HNNXBMFYSA-N 1 2 332.448 2.796 40 0 EFABLO CC(C)(C)n1cc(C(=O)NCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000096431597 218805891 /nfs/dbraw/zinc/80/58/91/218805891.db2.gz WJXPTNZEIWBJJI-UHFFFAOYSA-N 1 2 337.427 2.813 40 0 EFABLO O=C(C[C@@H]1COCCN1Cc1cn2ccccc2[nH+]1)c1cccs1 ZINC000119609134 221358708 /nfs/dbraw/zinc/35/87/08/221358708.db2.gz GBTBZRVFSGODSG-OAHLLOKOSA-N 1 2 341.436 2.870 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216159 257688074 /nfs/dbraw/zinc/68/80/74/257688074.db2.gz LFWPBWGYOJGBSR-OAHLLOKOSA-N 1 2 333.432 2.990 40 0 EFABLO C[NH+]1CCN(C2=Nc3ccccc3Nc3sc(C=O)cc32)CC1 ZINC000065748289 258012200 /nfs/dbraw/zinc/01/22/00/258012200.db2.gz MSQVWUCKQZRTKI-UHFFFAOYSA-N 1 2 326.425 2.943 40 0 in-vitro EFABLO O=C(NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000056945248 132198256 /nfs/dbraw/zinc/19/82/56/132198256.db2.gz YRYVKKFLXVAFSC-GOSISDBHSA-N 1 2 339.439 2.669 40 0 EFABLO Cc1csc(=O)n1CC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000057350701 132199662 /nfs/dbraw/zinc/19/96/62/132199662.db2.gz USIWYKRIISZEGR-UHFFFAOYSA-N 1 2 337.876 2.694 40 0 EFABLO CCOc1ccccc1N1CC[NH+](CC(=O)NC(CC)CC)CC1 ZINC000057315412 132199744 /nfs/dbraw/zinc/19/97/44/132199744.db2.gz MEIWQDXANLTJMU-UHFFFAOYSA-N 1 2 333.476 2.512 40 0 EFABLO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000057406255 132200367 /nfs/dbraw/zinc/20/03/67/132200367.db2.gz FILXKZQKFJHFCY-MRXNPFEDSA-N 1 2 339.439 2.850 40 0 EFABLO C[C@@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)CC1(C)OCCO1 ZINC000096487534 544559469 /nfs/dbraw/zinc/55/94/69/544559469.db2.gz UUHXRBKSSWDOME-GFCCVEGCSA-N 1 2 333.436 2.782 40 0 EFABLO C[C@@H](CNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)Cn1cc[nH+]c1 ZINC000096487069 544559608 /nfs/dbraw/zinc/55/96/08/544559608.db2.gz UYNGTZHEFXGBLR-HZMBPMFUSA-N 1 2 342.226 2.676 40 0 EFABLO COc1ccc2c(c1)OC[C@H](NC(=O)Nc1ccc(C)[nH+]c1C)C2 ZINC000271057574 265890596 /nfs/dbraw/zinc/89/05/96/265890596.db2.gz JLDCMQZNGRAXRE-CQSZACIVSA-N 1 2 327.384 2.832 40 0 EFABLO Cc1noc2ncc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cc12 ZINC000277925270 267299982 /nfs/dbraw/zinc/29/99/82/267299982.db2.gz DBKOAAKYQWELFN-GXTWGEPZSA-N 1 2 341.371 2.507 40 0 EFABLO Cc1noc2ncc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cc12 ZINC000277925270 267299983 /nfs/dbraw/zinc/29/99/83/267299983.db2.gz DBKOAAKYQWELFN-GXTWGEPZSA-N 1 2 341.371 2.507 40 0 EFABLO FC(F)(F)c1cnc(CN2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000279482104 273220252 /nfs/dbraw/zinc/22/02/52/273220252.db2.gz WWUHMJMJCQOAFW-UHFFFAOYSA-N 1 2 342.390 2.875 40 0 EFABLO Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000281003591 273390419 /nfs/dbraw/zinc/39/04/19/273390419.db2.gz WDVPRMSOQSCFDS-OAHLLOKOSA-N 1 2 342.443 2.870 40 0 EFABLO CCn1c(C)[nH+]c2cc(-c3nc4c5ccccc5[nH]c(=O)n4n3)ccc21 ZINC000008156627 276709524 /nfs/dbraw/zinc/70/95/24/276709524.db2.gz FQVOQFVNYSZNEB-UHFFFAOYSA-N 1 2 344.378 2.916 40 0 EFABLO CCOC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000096187815 279752286 /nfs/dbraw/zinc/75/22/86/279752286.db2.gz NXJWRFSKSCDOGX-AWEZNQCLSA-N 1 2 338.411 2.673 40 0 EFABLO O=c1c2ccccc2nc2n1CC[N@@H+](Cc1c(F)cccc1F)CC2 ZINC000019375968 280392359 /nfs/dbraw/zinc/39/23/59/280392359.db2.gz DDEWBWKVXAFQGY-UHFFFAOYSA-N 1 2 341.361 2.733 40 0 EFABLO O=c1c2ccccc2nc2n1CC[N@H+](Cc1c(F)cccc1F)CC2 ZINC000019375968 280392360 /nfs/dbraw/zinc/39/23/60/280392360.db2.gz DDEWBWKVXAFQGY-UHFFFAOYSA-N 1 2 341.361 2.733 40 0 EFABLO COC[C@H]1CN(C(=O)c2cccs2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060289 293231195 /nfs/dbraw/zinc/23/11/95/293231195.db2.gz WMSSLFDSKQTJPM-CYBMUJFWSA-N 1 2 331.441 2.741 40 0 EFABLO Clc1cnc(N2CC[C@H]([NH+]3CC=CC3)C2)c(Br)c1 ZINC000225595023 294120455 /nfs/dbraw/zinc/12/04/55/294120455.db2.gz OENFZPJTCNQMIL-NSHDSACASA-N 1 2 328.641 2.948 40 0 EFABLO Cc1cnn([C@@H]2CCN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)C2)c1 ZINC000290672987 294153341 /nfs/dbraw/zinc/15/33/41/294153341.db2.gz IERMZXFJUXRAMJ-GDBMZVCRSA-N 1 2 326.448 2.669 40 0 EFABLO Cc1cnn([C@@H]2CCN(c3cc(N4CCC[C@@H](C)C4)nc[nH+]3)C2)c1 ZINC000290672987 294153344 /nfs/dbraw/zinc/15/33/44/294153344.db2.gz IERMZXFJUXRAMJ-GDBMZVCRSA-N 1 2 326.448 2.669 40 0 EFABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(C(=O)c1ccsc1)C2 ZINC000096044912 294466655 /nfs/dbraw/zinc/46/66/55/294466655.db2.gz AQQQJLUHYGUKMW-AWEZNQCLSA-N 1 2 331.441 2.648 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2c(C)oc3c2CCCC3)[nH+]1 ZINC000257333904 301024464 /nfs/dbraw/zinc/02/44/64/301024464.db2.gz YDPRXDAMGIDXBT-CQSZACIVSA-N 1 2 329.400 2.712 40 0 EFABLO Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000578489637 320210387 /nfs/dbraw/zinc/21/03/87/320210387.db2.gz KEWGHNXFEWGDNG-MRXNPFEDSA-N 1 2 329.448 2.780 40 0 EFABLO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000578489637 320210389 /nfs/dbraw/zinc/21/03/89/320210389.db2.gz KEWGHNXFEWGDNG-MRXNPFEDSA-N 1 2 329.448 2.780 40 0 EFABLO O=C(C[C@@H]1COCC[N@H+]1Cc1ccc(CO)cc1)c1cccs1 ZINC000119556322 323215325 /nfs/dbraw/zinc/21/53/25/323215325.db2.gz PEFXAKLEBSIEHN-MRXNPFEDSA-N 1 2 331.437 2.714 40 0 EFABLO O=C(C[C@@H]1COCC[N@@H+]1Cc1ccc(CO)cc1)c1cccs1 ZINC000119556322 323215327 /nfs/dbraw/zinc/21/53/27/323215327.db2.gz PEFXAKLEBSIEHN-MRXNPFEDSA-N 1 2 331.437 2.714 40 0 EFABLO COc1ccc(NCc2n[nH]c([C@@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533279 473222760 /nfs/dbraw/zinc/22/27/60/473222760.db2.gz PHPQIAJMXGWSLP-INIZCTEOSA-N 1 2 327.363 2.613 40 0 EFABLO COc1ccc(NCc2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1 ZINC000095533279 473222763 /nfs/dbraw/zinc/22/27/63/473222763.db2.gz PHPQIAJMXGWSLP-INIZCTEOSA-N 1 2 327.363 2.613 40 0 EFABLO COc1ccc(NCc2nc([C@@H]([NH3+])c3ccc(F)cc3)n[nH]2)cc1 ZINC000095533279 473222766 /nfs/dbraw/zinc/22/27/66/473222766.db2.gz PHPQIAJMXGWSLP-INIZCTEOSA-N 1 2 327.363 2.613 40 0 EFABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)cc1OC ZINC000095534240 473223240 /nfs/dbraw/zinc/22/32/40/473223240.db2.gz RNYXSEXYWXXPQT-INIZCTEOSA-N 1 2 340.383 2.633 40 0 EFABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)cc1OC ZINC000095534242 473223874 /nfs/dbraw/zinc/22/38/74/473223874.db2.gz ILJFISXFNKARDB-INIZCTEOSA-N 1 2 340.383 2.633 40 0 EFABLO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)cc1OC ZINC000095534242 473223877 /nfs/dbraw/zinc/22/38/77/473223877.db2.gz ILJFISXFNKARDB-INIZCTEOSA-N 1 2 340.383 2.633 40 0 EFABLO Cc1cc(CCC(=O)NCc2[nH+]ccn2C)ccc1Br ZINC000081734449 473247773 /nfs/dbraw/zinc/24/77/73/473247773.db2.gz SWWQEWSJCAJEEY-UHFFFAOYSA-N 1 2 336.233 2.740 40 0 EFABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC000096042135 473262799 /nfs/dbraw/zinc/26/27/99/473262799.db2.gz OIDMDFRZYLBBGW-YQQAZPJKSA-N 1 2 331.441 2.657 40 0 EFABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC000096042135 473262802 /nfs/dbraw/zinc/26/28/02/473262802.db2.gz OIDMDFRZYLBBGW-YQQAZPJKSA-N 1 2 331.441 2.657 40 0 EFABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042256 473262814 /nfs/dbraw/zinc/26/28/14/473262814.db2.gz IIMXTUNOGNPUQD-XYJFISCASA-N 1 2 345.468 2.795 40 0 EFABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042256 473262820 /nfs/dbraw/zinc/26/28/20/473262820.db2.gz IIMXTUNOGNPUQD-XYJFISCASA-N 1 2 345.468 2.795 40 0 EFABLO CCc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)on1 ZINC000081827764 473263038 /nfs/dbraw/zinc/26/30/38/473263038.db2.gz MECHZQDWYDVSCD-KRWDZBQOSA-N 1 2 331.391 2.657 40 0 EFABLO CCc1cc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)on1 ZINC000081827764 473263046 /nfs/dbraw/zinc/26/30/46/473263046.db2.gz MECHZQDWYDVSCD-KRWDZBQOSA-N 1 2 331.391 2.657 40 0 EFABLO Cc1ccsc1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CC2)C1 ZINC000096044931 473264727 /nfs/dbraw/zinc/26/47/27/473264727.db2.gz INELRVLCFVURON-CQSZACIVSA-N 1 2 345.468 2.956 40 0 EFABLO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1ccco1 ZINC000096044528 473264869 /nfs/dbraw/zinc/26/48/69/473264869.db2.gz PUDOANOVJPEFGT-GOSISDBHSA-N 1 2 345.443 2.649 40 0 EFABLO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1ccco1 ZINC000096044528 473264873 /nfs/dbraw/zinc/26/48/73/473264873.db2.gz PUDOANOVJPEFGT-GOSISDBHSA-N 1 2 345.443 2.649 40 0 EFABLO CC(C)COC[C@H]1CN(C(=O)Cc2cccs2)Cc2[nH+]cn(C)c21 ZINC000096044855 473265234 /nfs/dbraw/zinc/26/52/34/473265234.db2.gz LSRYLGQNQZOUIY-CQSZACIVSA-N 1 2 347.484 2.823 40 0 EFABLO COC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2nnn(CC3CC3)c21 ZINC000096045563 473266590 /nfs/dbraw/zinc/26/65/90/473266590.db2.gz VYOVOMQHBBZDDK-CQSZACIVSA-N 1 2 332.473 2.804 40 0 EFABLO COC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nnn(CC3CC3)c21 ZINC000096045563 473266595 /nfs/dbraw/zinc/26/65/95/473266595.db2.gz VYOVOMQHBBZDDK-CQSZACIVSA-N 1 2 332.473 2.804 40 0 EFABLO Fc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)cc1 ZINC000096055279 473279947 /nfs/dbraw/zinc/27/99/47/473279947.db2.gz AOOYDEYZRXJGSY-BPQIPLTHSA-N 1 2 343.402 2.674 40 0 EFABLO Fc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)cc1 ZINC000096055279 473279953 /nfs/dbraw/zinc/27/99/53/473279953.db2.gz AOOYDEYZRXJGSY-BPQIPLTHSA-N 1 2 343.402 2.674 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096058013 473281210 /nfs/dbraw/zinc/28/12/10/473281210.db2.gz LTXZXZYAWRCLSL-IPMKNSEASA-N 1 2 343.427 2.635 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@H](OCc3ccccn3)CC[C@@H]21 ZINC000096058013 473281213 /nfs/dbraw/zinc/28/12/13/473281213.db2.gz LTXZXZYAWRCLSL-IPMKNSEASA-N 1 2 343.427 2.635 40 0 EFABLO COC[C@@H]1CN(C(=O)c2cccs2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060288 473283512 /nfs/dbraw/zinc/28/35/12/473283512.db2.gz WMSSLFDSKQTJPM-ZDUSSCGKSA-N 1 2 331.441 2.741 40 0 EFABLO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@@H+](Cc1ccccn1)C2 ZINC000096059944 473284151 /nfs/dbraw/zinc/28/41/51/473284151.db2.gz GHDBQZDEUPZAAV-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO CCn1cc2c(n1)[C@H](COCC1CC1)C[N@H+](Cc1ccccn1)C2 ZINC000096059944 473284155 /nfs/dbraw/zinc/28/41/55/473284155.db2.gz GHDBQZDEUPZAAV-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@H]1C[N@H+](Cc2ccccn2)Cc2nn(CC3CC3)cc21 ZINC000096060485 473284295 /nfs/dbraw/zinc/28/42/95/473284295.db2.gz KITSHMNHXUIMET-MRXNPFEDSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@H]1C[N@@H+](Cc2ccccn2)Cc2nn(CC3CC3)cc21 ZINC000096060485 473284305 /nfs/dbraw/zinc/28/43/05/473284305.db2.gz KITSHMNHXUIMET-MRXNPFEDSA-N 1 2 326.444 2.824 40 0 EFABLO COc1ccc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)cc1 ZINC000096058845 473284535 /nfs/dbraw/zinc/28/45/35/473284535.db2.gz WLELVNSIUWZHLC-UHFFFAOYSA-N 1 2 342.443 2.619 40 0 EFABLO COc1ccc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)cc1 ZINC000096058845 473284538 /nfs/dbraw/zinc/28/45/38/473284538.db2.gz WLELVNSIUWZHLC-UHFFFAOYSA-N 1 2 342.443 2.619 40 0 EFABLO Cc1cccc(CN2C(=O)CCC23CCN(c2cccc[nH+]2)CC3)n1 ZINC000096075434 473290931 /nfs/dbraw/zinc/29/09/31/473290931.db2.gz SHSQLCVKXRQMSR-UHFFFAOYSA-N 1 2 336.439 2.947 40 0 EFABLO Cc1nc(C[N@@H+]2CCC23CCN(c2ncc(F)cn2)CC3)cs1 ZINC000096077991 473291526 /nfs/dbraw/zinc/29/15/26/473291526.db2.gz VIGNIGVVDFZSRL-UHFFFAOYSA-N 1 2 333.436 2.626 40 0 EFABLO Cc1nc(C[N@H+]2CCC23CCN(c2ncc(F)cn2)CC3)cs1 ZINC000096077991 473291531 /nfs/dbraw/zinc/29/15/31/473291531.db2.gz VIGNIGVVDFZSRL-UHFFFAOYSA-N 1 2 333.436 2.626 40 0 EFABLO Cc1cc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)no1 ZINC000096107408 473300556 /nfs/dbraw/zinc/30/05/56/473300556.db2.gz VJZCYQZYAPJLBF-QAPCUYQASA-N 1 2 347.390 2.720 40 0 EFABLO Cc1cc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4ncccc4F)CO3)C2)no1 ZINC000096107408 473300567 /nfs/dbraw/zinc/30/05/67/473300567.db2.gz VJZCYQZYAPJLBF-QAPCUYQASA-N 1 2 347.390 2.720 40 0 EFABLO Cn1cc(-c2cc(C[N@@H+]3CCO[C@@H](c4cccs4)C3)on2)cn1 ZINC000185024933 473303501 /nfs/dbraw/zinc/30/35/01/473303501.db2.gz WLCCBKDJMHQGQU-OAHLLOKOSA-N 1 2 330.413 2.710 40 0 EFABLO Cn1cc(-c2cc(C[N@H+]3CCO[C@@H](c4cccs4)C3)on2)cn1 ZINC000185024933 473303513 /nfs/dbraw/zinc/30/35/13/473303513.db2.gz WLCCBKDJMHQGQU-OAHLLOKOSA-N 1 2 330.413 2.710 40 0 EFABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccccc1F)C2 ZINC000096111907 473305256 /nfs/dbraw/zinc/30/52/56/473305256.db2.gz RCOOJAGWMSBGRT-YOEHRIQHSA-N 1 2 326.371 2.824 40 0 biogenic,in-vitro EFABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccccc1F)C2 ZINC000096111907 473305263 /nfs/dbraw/zinc/30/52/63/473305263.db2.gz RCOOJAGWMSBGRT-YOEHRIQHSA-N 1 2 326.371 2.824 40 0 biogenic,in-vitro EFABLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2cccnc2)[C@@H]2CCCO[C@H]12 ZINC000096185973 473326325 /nfs/dbraw/zinc/32/63/25/473326325.db2.gz IHDMLTWLRORATC-QRVBRYPASA-N 1 2 327.428 2.538 40 0 EFABLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2cccnc2)[C@@H]2CCCO[C@H]12 ZINC000096185973 473326331 /nfs/dbraw/zinc/32/63/31/473326331.db2.gz IHDMLTWLRORATC-QRVBRYPASA-N 1 2 327.428 2.538 40 0 EFABLO O=C(Cc1ccccc1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187907 473329118 /nfs/dbraw/zinc/32/91/18/473329118.db2.gz PGVRSAVNTLOGAU-GOSISDBHSA-N 1 2 339.439 2.511 40 0 EFABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1ccccn1)CC2)Cc1ccco1 ZINC000096197469 473334599 /nfs/dbraw/zinc/33/45/99/473334599.db2.gz PBFOAARFGZJRQE-UHFFFAOYSA-N 1 2 337.427 2.519 40 0 EFABLO C[N@H+](Cc1cn2c(n1)CN(Cc1ccccn1)CC2)Cc1ccco1 ZINC000096197469 473334605 /nfs/dbraw/zinc/33/46/05/473334605.db2.gz PBFOAARFGZJRQE-UHFFFAOYSA-N 1 2 337.427 2.519 40 0 EFABLO CO[C@@H]1CCN(Cc2ccoc2)[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096218152 473349079 /nfs/dbraw/zinc/34/90/79/473349079.db2.gz UWAZPSIDMZEQMT-RCCFBDPRSA-N 1 2 347.484 2.766 40 0 EFABLO CO[C@@H]1CCN(Cc2ccoc2)[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096218152 473349086 /nfs/dbraw/zinc/34/90/86/473349086.db2.gz UWAZPSIDMZEQMT-RCCFBDPRSA-N 1 2 347.484 2.766 40 0 EFABLO c1cc(NC2CCCC2)nc([C@H]2COCC[N@H+]2CC2CCOCC2)n1 ZINC000096219184 473351170 /nfs/dbraw/zinc/35/11/70/473351170.db2.gz VXCDEQIMAONYMM-QGZVFWFLSA-N 1 2 346.475 2.631 40 0 EFABLO c1cc(NC2CCCC2)nc([C@H]2COCC[N@@H+]2CC2CCOCC2)n1 ZINC000096219184 473351175 /nfs/dbraw/zinc/35/11/75/473351175.db2.gz VXCDEQIMAONYMM-QGZVFWFLSA-N 1 2 346.475 2.631 40 0 EFABLO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096253121 473363686 /nfs/dbraw/zinc/36/36/86/473363686.db2.gz UULVBJKQBGAZNA-IXDOHACOSA-N 1 2 334.847 2.598 40 0 EFABLO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096253121 473363694 /nfs/dbraw/zinc/36/36/94/473363694.db2.gz UULVBJKQBGAZNA-IXDOHACOSA-N 1 2 334.847 2.598 40 0 EFABLO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]1O2 ZINC000096253119 473364845 /nfs/dbraw/zinc/36/48/45/473364845.db2.gz ASMCXPHEXHJSGM-IXDOHACOSA-N 1 2 334.847 2.598 40 0 EFABLO O=C(NC1CCC1)[C@H]1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]1O2 ZINC000096253119 473364849 /nfs/dbraw/zinc/36/48/49/473364849.db2.gz ASMCXPHEXHJSGM-IXDOHACOSA-N 1 2 334.847 2.598 40 0 EFABLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000096406627 473383856 /nfs/dbraw/zinc/38/38/56/473383856.db2.gz WGKQFKRTXFRLRJ-OAHLLOKOSA-N 1 2 330.457 2.755 40 0 EFABLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000096406627 473383860 /nfs/dbraw/zinc/38/38/60/473383860.db2.gz WGKQFKRTXFRLRJ-OAHLLOKOSA-N 1 2 330.457 2.755 40 0 EFABLO COCc1ccc(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC000096406382 473384032 /nfs/dbraw/zinc/38/40/32/473384032.db2.gz WUOGHAVOIQDXLF-CQSZACIVSA-N 1 2 338.354 2.737 40 0 EFABLO Cc1cccc(CS(=O)(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000096406711 473384241 /nfs/dbraw/zinc/38/42/41/473384241.db2.gz COTPEVAOIUBUAC-UHFFFAOYSA-N 1 2 341.436 2.800 40 0 EFABLO CCc1ccccc1NC(=O)C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000096407052 473384709 /nfs/dbraw/zinc/38/47/09/473384709.db2.gz LKRWLCOLTNDJHL-UHFFFAOYSA-N 1 2 348.406 2.690 40 0 EFABLO Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000096409351 473388068 /nfs/dbraw/zinc/38/80/68/473388068.db2.gz XLFNQTBNMQZNOR-QGZVFWFLSA-N 1 2 344.434 2.896 40 0 EFABLO COCCc1noc(C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000096411370 473390370 /nfs/dbraw/zinc/39/03/70/473390370.db2.gz DRIHTYLUPXPMRH-GUYCJALGSA-N 1 2 333.457 2.937 40 0 EFABLO COCCc1noc(C[N@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)n1 ZINC000096411370 473390375 /nfs/dbraw/zinc/39/03/75/473390375.db2.gz DRIHTYLUPXPMRH-GUYCJALGSA-N 1 2 333.457 2.937 40 0 EFABLO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1noc2c1CCCC2 ZINC000096412913 473391846 /nfs/dbraw/zinc/39/18/46/473391846.db2.gz NEHFUFHJLAYURV-GFCCVEGCSA-N 1 2 326.400 2.744 40 0 EFABLO COC(=O)c1sc2[nH]c(C[NH+]3CCCCCCC3)nc(=O)c2c1C ZINC000003538919 471451902 /nfs/dbraw/zinc/45/19/02/471451902.db2.gz OGEOEXIBYBMITH-UHFFFAOYSA-N 1 2 349.456 2.846 40 0 EFABLO COc1cc2c(cc1OC)[C@@H](C)[N@H+](CC(=O)NCc1ccco1)CC2 ZINC000004090378 471458417 /nfs/dbraw/zinc/45/84/17/471458417.db2.gz RGGBWRSCFNDTMG-CYBMUJFWSA-N 1 2 344.411 2.532 40 0 biogenic EFABLO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CC(=O)NCc1ccco1)CC2 ZINC000004090378 471458418 /nfs/dbraw/zinc/45/84/18/471458418.db2.gz RGGBWRSCFNDTMG-CYBMUJFWSA-N 1 2 344.411 2.532 40 0 biogenic EFABLO COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000004223546 471461690 /nfs/dbraw/zinc/46/16/90/471461690.db2.gz OREIRQVYXVPPDA-UHFFFAOYSA-N 1 2 344.436 2.704 40 0 EFABLO COC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000004223546 471461693 /nfs/dbraw/zinc/46/16/93/471461693.db2.gz OREIRQVYXVPPDA-UHFFFAOYSA-N 1 2 344.436 2.704 40 0 EFABLO C[C@H]1CCC[N@@H+]([C@H](c2nnnn2Cc2ccccc2)c2cccnc2)C1 ZINC000004925237 471479268 /nfs/dbraw/zinc/47/92/68/471479268.db2.gz AUVFDGPODCUOET-LPHOPBHVSA-N 1 2 348.454 2.938 40 0 EFABLO C[C@H]1CCC[N@H+]([C@H](c2nnnn2Cc2ccccc2)c2cccnc2)C1 ZINC000004925237 471479271 /nfs/dbraw/zinc/47/92/71/471479271.db2.gz AUVFDGPODCUOET-LPHOPBHVSA-N 1 2 348.454 2.938 40 0 EFABLO COCCNc1nnc(SCc2cn3cccc(C)c3[nH+]2)s1 ZINC000006657753 471557552 /nfs/dbraw/zinc/55/75/52/471557552.db2.gz WOYKLPRXYYJEIW-UHFFFAOYSA-N 1 2 335.458 2.845 40 0 EFABLO Cc1noc(C)c1S(=O)(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050257 471588168 /nfs/dbraw/zinc/58/81/68/471588168.db2.gz TZNHWGKPEDSGGR-NSHDSACASA-N 1 2 346.412 2.517 40 0 EFABLO Cc1nc(NC(=O)C[NH+]2CCC(c3cccnc3)CC2)sc1C ZINC000012114011 471764359 /nfs/dbraw/zinc/76/43/59/471764359.db2.gz OWEAIEPTVOBPDM-UHFFFAOYSA-N 1 2 330.457 2.973 40 0 EFABLO Cc1ncccc1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000012115031 471764931 /nfs/dbraw/zinc/76/49/31/471764931.db2.gz DTWYAUXDESASDN-INIZCTEOSA-N 1 2 342.349 2.921 40 0 EFABLO COc1ccc([C@@H](NC(=O)C2CCCC2)c2[nH+]ccn2C)cc1OC ZINC000012114959 471765331 /nfs/dbraw/zinc/76/53/31/471765331.db2.gz HGTLRRPPHHCFCZ-QGZVFWFLSA-N 1 2 343.427 2.833 40 0 EFABLO C=Cn1cc(C[N@@H+]2CCn3nc(-c4ccc(F)cc4)nc3C2)c(C)n1 ZINC000012185770 471767174 /nfs/dbraw/zinc/76/71/74/471767174.db2.gz PHWDKWAXXHDCCP-UHFFFAOYSA-N 1 2 338.390 2.705 40 0 EFABLO C=Cn1cc(C[N@H+]2CCn3nc(-c4ccc(F)cc4)nc3C2)c(C)n1 ZINC000012185770 471767182 /nfs/dbraw/zinc/76/71/82/471767182.db2.gz PHWDKWAXXHDCCP-UHFFFAOYSA-N 1 2 338.390 2.705 40 0 EFABLO Cc1ccc(-c2nc(NCCn3cc[nH+]c3)ncc2-c2cnccn2)o1 ZINC000012221571 471768773 /nfs/dbraw/zinc/76/87/73/471768773.db2.gz YEVCDTXESACNDD-UHFFFAOYSA-N 1 2 347.382 2.811 40 0 EFABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4ccncc4)C3)[nH]n2c1=O ZINC000012222241 471768894 /nfs/dbraw/zinc/76/88/94/471768894.db2.gz UTUWQQUPKZCSJG-OAHLLOKOSA-N 1 2 337.427 2.690 40 0 EFABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4ccncc4)C3)[nH]n2c1=O ZINC000012222241 471768899 /nfs/dbraw/zinc/76/88/99/471768899.db2.gz UTUWQQUPKZCSJG-OAHLLOKOSA-N 1 2 337.427 2.690 40 0 EFABLO C=COCCNC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CC)C1 ZINC000013566363 471833146 /nfs/dbraw/zinc/83/31/46/471833146.db2.gz ACSXYOFBYZYBAR-OAHLLOKOSA-N 1 2 342.443 2.549 40 0 EFABLO C=COCCNC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2CC)C1 ZINC000013566364 471833759 /nfs/dbraw/zinc/83/37/59/471833759.db2.gz ACSXYOFBYZYBAR-HNNXBMFYSA-N 1 2 342.443 2.549 40 0 EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@H+](Cc2cccs2)C1 ZINC000015674212 471914331 /nfs/dbraw/zinc/91/43/31/471914331.db2.gz BCAFPPXWGGZAJB-RISCZKNCSA-N 1 2 328.397 2.501 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccccn3)no2)[N@@H+](Cc2cccs2)C1 ZINC000015674212 471914334 /nfs/dbraw/zinc/91/43/34/471914334.db2.gz BCAFPPXWGGZAJB-RISCZKNCSA-N 1 2 328.397 2.501 40 0 biogenic,in-vitro EFABLO COc1ccccc1NC(=S)N1CC[NH+](Cc2ccccn2)CC1 ZINC000016704504 471947553 /nfs/dbraw/zinc/94/75/53/471947553.db2.gz HBDDTNWBBQZLQR-UHFFFAOYSA-N 1 2 342.468 2.605 40 0 EFABLO COc1ccccc1C[N@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000019570719 471981143 /nfs/dbraw/zinc/98/11/43/471981143.db2.gz DAUHKAPBWIBZAB-UHFFFAOYSA-N 1 2 341.436 2.525 40 0 EFABLO COc1ccccc1C[N@@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000019570719 471981145 /nfs/dbraw/zinc/98/11/45/471981145.db2.gz DAUHKAPBWIBZAB-UHFFFAOYSA-N 1 2 341.436 2.525 40 0 EFABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)s1 ZINC000019693544 471983027 /nfs/dbraw/zinc/98/30/27/471983027.db2.gz LIEBSVBRRHVKOT-QGZVFWFLSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)s1 ZINC000019693544 471983035 /nfs/dbraw/zinc/98/30/35/471983035.db2.gz LIEBSVBRRHVKOT-QGZVFWFLSA-N 1 2 341.440 2.810 40 0 EFABLO O=C(NCC[NH+]1CCOCC1)/C(=C\c1ccccc1)c1ccccc1 ZINC000033316430 471983469 /nfs/dbraw/zinc/98/34/69/471983469.db2.gz LPORVFAGXRTWAS-JZJYNLBNSA-N 1 2 336.435 2.676 40 0 EFABLO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000023003885 472024925 /nfs/dbraw/zinc/02/49/25/472024925.db2.gz IVTNYBNZCFJFNT-CYBMUJFWSA-N 1 2 330.432 2.956 40 0 EFABLO COc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)cc1OC ZINC000084482897 472183776 /nfs/dbraw/zinc/18/37/76/472183776.db2.gz BJQSUSIEIQOPFO-UHFFFAOYSA-N 1 2 331.391 2.560 40 0 EFABLO C[C@@H](c1ccco1)N(C(=O)NCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000086362259 472281075 /nfs/dbraw/zinc/28/10/75/472281075.db2.gz LDKVUCXVVWWVTN-KFWWJZLASA-N 1 2 335.448 2.624 40 0 EFABLO O=C(NCc1ccc[nH+]c1N1CCOCC1)c1cccc(Cl)c1 ZINC000030312878 472325854 /nfs/dbraw/zinc/32/58/54/472325854.db2.gz DALBEMXDUSMGFX-UHFFFAOYSA-N 1 2 331.803 2.502 40 0 EFABLO Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CCc4ccccc4C3)cn21 ZINC000069429163 472341906 /nfs/dbraw/zinc/34/19/06/472341906.db2.gz KTTRONRLSBYKQJ-QGZVFWFLSA-N 1 2 334.423 2.999 40 0 EFABLO COc1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000044885894 472347325 /nfs/dbraw/zinc/34/73/25/472347325.db2.gz CYGMMOKYBKXKHQ-UHFFFAOYSA-N 1 2 326.396 2.780 40 0 EFABLO CCc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1F ZINC000089274191 472405114 /nfs/dbraw/zinc/40/51/14/472405114.db2.gz OQUUUBWOFWBTGP-INIZCTEOSA-N 1 2 335.423 2.717 40 0 EFABLO COc1ccccc1[C@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045610772 472432138 /nfs/dbraw/zinc/43/21/38/472432138.db2.gz CPYVAQJNDFUFCW-AWEZNQCLSA-N 1 2 338.411 2.946 40 0 EFABLO CCOc1ccccc1C(=O)N1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000097212655 472480802 /nfs/dbraw/zinc/48/08/02/472480802.db2.gz YQMNHNNUESUYOC-UHFFFAOYSA-N 1 2 340.427 2.900 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000097953748 472512420 /nfs/dbraw/zinc/51/24/20/472512420.db2.gz DMVIQGBJWBILNC-GBESFXJTSA-N 1 2 343.427 2.635 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000097953748 472512425 /nfs/dbraw/zinc/51/24/25/472512425.db2.gz DMVIQGBJWBILNC-GBESFXJTSA-N 1 2 343.427 2.635 40 0 EFABLO COc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC000097953741 472512643 /nfs/dbraw/zinc/51/26/43/472512643.db2.gz LUTAQSRCZFEBKT-SLFFLAALSA-N 1 2 340.423 2.901 40 0 EFABLO COc1ccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC000097953741 472512647 /nfs/dbraw/zinc/51/26/47/472512647.db2.gz LUTAQSRCZFEBKT-SLFFLAALSA-N 1 2 340.423 2.901 40 0 EFABLO CO[C@H]1CC[C@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000100162538 472526082 /nfs/dbraw/zinc/52/60/82/472526082.db2.gz BYQPLILRESPGQL-IXDOHACOSA-N 1 2 327.428 2.831 40 0 EFABLO C[C@H]([NH2+]CC1=CCCOC1)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1 ZINC000100217710 472526380 /nfs/dbraw/zinc/52/63/80/472526380.db2.gz NWLZNZOVNCEVRZ-LBPRGKRZSA-N 1 2 330.432 2.730 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216220 472633451 /nfs/dbraw/zinc/63/34/51/472633451.db2.gz MZXZFNBADPHYOL-HNNXBMFYSA-N 1 2 333.432 2.990 40 0 EFABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2N(C)C)cc1 ZINC000072212665 472633700 /nfs/dbraw/zinc/63/37/00/472633700.db2.gz WJOYOZIQXRLPKR-QGZVFWFLSA-N 1 2 345.468 2.982 40 0 EFABLO CNC(=O)CCc1cc(C)nc([C@@H]2CCCN2c2cc[nH+]c(C)n2)c1 ZINC000072360517 472663598 /nfs/dbraw/zinc/66/35/98/472663598.db2.gz QNMBADQFOIFUCI-KRWDZBQOSA-N 1 2 339.443 2.509 40 0 EFABLO O=C(c1ccc(Br)o1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120611351 472717485 /nfs/dbraw/zinc/71/74/85/472717485.db2.gz CFGMEVTZGGOACJ-LLVKDONJSA-N 1 2 337.173 2.731 40 0 EFABLO O=C([C@@H](c1ccccc1)n1cccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000062021911 472726883 /nfs/dbraw/zinc/72/68/83/472726883.db2.gz WDIUAXGOMZMZIY-HXUWFJFHSA-N 1 2 346.434 2.821 40 0 EFABLO O=C(c1cnccn1)N1CCC(Cn2cc[nH+]c2-c2ccccc2)CC1 ZINC000062130280 472730597 /nfs/dbraw/zinc/73/05/97/472730597.db2.gz AQAYEOCTTDWBNL-UHFFFAOYSA-N 1 2 347.422 2.893 40 0 EFABLO Cc1ncc(CN(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)s1 ZINC000078611404 472741651 /nfs/dbraw/zinc/74/16/51/472741651.db2.gz CEAPWWIEGWUQIP-KRWDZBQOSA-N 1 2 344.484 2.860 40 0 EFABLO Cc1ncc(CN(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)s1 ZINC000078611404 472741654 /nfs/dbraw/zinc/74/16/54/472741654.db2.gz CEAPWWIEGWUQIP-KRWDZBQOSA-N 1 2 344.484 2.860 40 0 EFABLO Cc1ccccc1-n1cc(C(=O)N[C@H]2CCC[C@@H]2n2cc[nH+]c2)cn1 ZINC000078989929 472801990 /nfs/dbraw/zinc/80/19/90/472801990.db2.gz IEKRMCYTPHZITD-WMZOPIPTSA-N 1 2 335.411 2.901 40 0 EFABLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000079043787 472810172 /nfs/dbraw/zinc/81/01/72/472810172.db2.gz SINVRRFTAXUIOQ-MNOVXSKESA-N 1 2 325.771 2.648 40 0 EFABLO COc1cc(F)c([C@@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1OC ZINC000079311872 472846158 /nfs/dbraw/zinc/84/61/58/472846158.db2.gz ZPTRMFSATRSJMS-DIFFPNOSSA-N 1 2 332.375 2.720 40 0 EFABLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)COCc2ccccc2)CC1 ZINC000079353597 472851321 /nfs/dbraw/zinc/85/13/21/472851321.db2.gz GHTGTGYPYVPCEP-QGZVFWFLSA-N 1 2 339.439 2.504 40 0 EFABLO CCCc1cnc(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000158683277 472958566 /nfs/dbraw/zinc/95/85/66/472958566.db2.gz UYFOGWUXQXOVSA-UHFFFAOYSA-N 1 2 345.472 2.840 40 0 EFABLO c1cn(Cc2ccc(CNc3ccc4nnc(C5CC5)n4n3)cc2)c[nH+]1 ZINC000080948929 473110483 /nfs/dbraw/zinc/11/04/83/473110483.db2.gz BADPGRVICAHMNG-UHFFFAOYSA-N 1 2 345.410 2.859 40 0 EFABLO C[N@H+](CC(=O)Nc1nncs1)Cc1ccccc1C(F)(F)F ZINC000052508136 473114929 /nfs/dbraw/zinc/11/49/29/473114929.db2.gz UTSBWGHNUHEDFR-UHFFFAOYSA-N 1 2 330.335 2.627 40 0 EFABLO C[N@@H+](CC(=O)Nc1nncs1)Cc1ccccc1C(F)(F)F ZINC000052508136 473114936 /nfs/dbraw/zinc/11/49/36/473114936.db2.gz UTSBWGHNUHEDFR-UHFFFAOYSA-N 1 2 330.335 2.627 40 0 EFABLO CC[N@H+](CCS(C)(=O)=O)Cc1ccc(Br)cc1C ZINC000093816240 473147971 /nfs/dbraw/zinc/14/79/71/473147971.db2.gz PQTDLDRMKVHXDM-UHFFFAOYSA-N 1 2 334.279 2.624 40 0 EFABLO CC[N@@H+](CCS(C)(=O)=O)Cc1ccc(Br)cc1C ZINC000093816240 473147975 /nfs/dbraw/zinc/14/79/75/473147975.db2.gz PQTDLDRMKVHXDM-UHFFFAOYSA-N 1 2 334.279 2.624 40 0 EFABLO COC(=O)[C@@]1(F)CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093887912 473158610 /nfs/dbraw/zinc/15/86/10/473158610.db2.gz DWQNSZFRKJOAFI-CQSZACIVSA-N 1 2 326.418 2.959 40 0 EFABLO COC(=O)[C@@]1(F)CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093887912 473158615 /nfs/dbraw/zinc/15/86/15/473158615.db2.gz DWQNSZFRKJOAFI-CQSZACIVSA-N 1 2 326.418 2.959 40 0 EFABLO COC[C@@H]1CCCN(c2nc(N3CCC[C@H](COC)C3)c(C)c[nH+]2)C1 ZINC000110674926 473170382 /nfs/dbraw/zinc/17/03/82/473170382.db2.gz OGFXRFMOGSERDO-DLBZAZTESA-N 1 2 348.491 2.511 40 0 EFABLO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000110698358 473172708 /nfs/dbraw/zinc/17/27/08/473172708.db2.gz TVPFAJRZHANJLX-KBPBESRZSA-N 1 2 337.395 2.905 40 0 EFABLO Cc1ncsc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000110698358 473172712 /nfs/dbraw/zinc/17/27/12/473172712.db2.gz TVPFAJRZHANJLX-KBPBESRZSA-N 1 2 337.395 2.905 40 0 EFABLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H]1C[C@H]1c1ccccc1 ZINC000095395142 473195918 /nfs/dbraw/zinc/19/59/18/473195918.db2.gz HXBZVLRCQWAQFI-AEFFLSMTSA-N 1 2 338.455 2.865 40 0 EFABLO Cc1ccc(C(=O)NCCn2cc[nH+]c2)cc1NC(=O)NC(C)(C)C ZINC000096419249 473397793 /nfs/dbraw/zinc/39/77/93/473397793.db2.gz MSDBPRSHQFSCKL-UHFFFAOYSA-N 1 2 343.431 2.542 40 0 EFABLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000096420772 473399331 /nfs/dbraw/zinc/39/93/31/473399331.db2.gz MXMKDAJEJWQMTE-NWDGAFQWSA-N 1 2 339.317 2.739 40 0 EFABLO Cn1cc[nH+]c1CNC(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000096422031 473400860 /nfs/dbraw/zinc/40/08/60/473400860.db2.gz FGWNFWGGKJPDFY-UHFFFAOYSA-N 1 2 330.779 2.581 40 0 EFABLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2csnn2)CC1 ZINC000096426833 473405941 /nfs/dbraw/zinc/40/59/41/473405941.db2.gz IKVUVZGACPJWIV-LLVKDONJSA-N 1 2 336.848 2.711 40 0 EFABLO CC(C)(CNC(=O)Cn1cc[nH+]c1)c1cccc(Br)c1 ZINC000096427190 473406300 /nfs/dbraw/zinc/40/63/00/473406300.db2.gz QYFGZNKJVREOQS-UHFFFAOYSA-N 1 2 336.233 2.740 40 0 EFABLO Cc1nc(CC(=O)NCCNc2ccc3ccccc3[nH+]2)cs1 ZINC000096426921 473406629 /nfs/dbraw/zinc/40/66/29/473406629.db2.gz JOFOZDZOMAHTBJ-UHFFFAOYSA-N 1 2 326.425 2.771 40 0 EFABLO Cc1ccc(S(C)(=O)=O)cc1NCc1[nH+]ccn1CC(F)(F)F ZINC000096427392 473406843 /nfs/dbraw/zinc/40/68/43/473406843.db2.gz ONQCEVJHTKEQCA-UHFFFAOYSA-N 1 2 347.362 2.769 40 0 EFABLO COc1cc(OC)cc([C@@H](Nc2cc[nH+]c(C)n2)c2nccn2C)c1 ZINC000096427298 473407263 /nfs/dbraw/zinc/40/72/63/473407263.db2.gz AISQGIVYHARWAM-QGZVFWFLSA-N 1 2 339.399 2.737 40 0 EFABLO O[C@@H](COCc1ccccc1F)Cn1cc[nH+]c1-c1ccncc1 ZINC000096435826 473415669 /nfs/dbraw/zinc/41/56/69/473415669.db2.gz WYPJNRZOPQDDQC-MRXNPFEDSA-N 1 2 327.359 2.662 40 0 EFABLO COC(C)(C)C[C@@H](C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000096440345 473418893 /nfs/dbraw/zinc/41/88/93/473418893.db2.gz OLZCRBKHVKFYOM-CQSZACIVSA-N 1 2 330.432 2.875 40 0 EFABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3coc4ccccc43)CC2)S1 ZINC000096443754 473421422 /nfs/dbraw/zinc/42/14/22/473421422.db2.gz YHFWDIMCDVGWRV-GFCCVEGCSA-N 1 2 329.425 2.682 40 0 EFABLO Cn1cc[nH+]c1CNC(=O)NCCc1csc(-c2ccccc2)n1 ZINC000096461041 473433527 /nfs/dbraw/zinc/43/35/27/473433527.db2.gz KFELWBPZHUXCIC-UHFFFAOYSA-N 1 2 341.440 2.586 40 0 EFABLO O=S(=O)(c1cccc2ncccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000096461862 473433965 /nfs/dbraw/zinc/43/39/65/473433965.db2.gz PASYZAHPVUCDID-ZDUSSCGKSA-N 1 2 342.424 2.526 40 0 EFABLO CS[C@H]1CC[C@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000096462806 473434885 /nfs/dbraw/zinc/43/48/85/473434885.db2.gz DNZUUWSMEBWNBK-GJZGRUSLSA-N 1 2 345.472 2.693 40 0 EFABLO CCCn1nnnc1C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000096468634 473435735 /nfs/dbraw/zinc/43/57/35/473435735.db2.gz OCTFKNIQAXSOEY-GJZGRUSLSA-N 1 2 333.436 2.544 40 0 EFABLO CCCn1nnnc1C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000096468634 473435740 /nfs/dbraw/zinc/43/57/40/473435740.db2.gz OCTFKNIQAXSOEY-GJZGRUSLSA-N 1 2 333.436 2.544 40 0 EFABLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1csc(-c2ccoc2)n1 ZINC000096475511 473438379 /nfs/dbraw/zinc/43/83/79/473438379.db2.gz NSMSLVHPLKWDEW-CYBMUJFWSA-N 1 2 338.454 2.884 40 0 EFABLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1csc(-c2ccoc2)n1 ZINC000096475511 473438386 /nfs/dbraw/zinc/43/83/86/473438386.db2.gz NSMSLVHPLKWDEW-CYBMUJFWSA-N 1 2 338.454 2.884 40 0 EFABLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1csc(-c2ccoc2)n1 ZINC000096475512 473438562 /nfs/dbraw/zinc/43/85/62/473438562.db2.gz NSMSLVHPLKWDEW-ZDUSSCGKSA-N 1 2 338.454 2.884 40 0 EFABLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1csc(-c2ccoc2)n1 ZINC000096475512 473438568 /nfs/dbraw/zinc/43/85/68/473438568.db2.gz NSMSLVHPLKWDEW-ZDUSSCGKSA-N 1 2 338.454 2.884 40 0 EFABLO Cc1ccsc1CNC(=O)COc1cccc(-n2cc[nH+]c2)c1 ZINC000096475799 473440000 /nfs/dbraw/zinc/44/00/00/473440000.db2.gz RWDWWBIQSVNQEQ-UHFFFAOYSA-N 1 2 327.409 2.937 40 0 EFABLO Cc1cc(C(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)oc1C ZINC000096480718 473440979 /nfs/dbraw/zinc/44/09/79/473440979.db2.gz HYFADENJGYHMBC-IEBWSBKVSA-N 1 2 340.423 2.622 40 0 EFABLO Cc1cc(C(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)oc1C ZINC000096480718 473440987 /nfs/dbraw/zinc/44/09/87/473440987.db2.gz HYFADENJGYHMBC-IEBWSBKVSA-N 1 2 340.423 2.622 40 0 EFABLO Cc1nnnn1-c1cccc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000096482796 473442491 /nfs/dbraw/zinc/44/24/91/473442491.db2.gz QRGHGALLFBYJBQ-UHFFFAOYSA-N 1 2 349.373 2.908 40 0 EFABLO Cc1cc(N(CC(=O)N2CCCC2)C[C@H]2CCCO2)nc(C(C)C)[nH+]1 ZINC000096484312 473443171 /nfs/dbraw/zinc/44/31/71/473443171.db2.gz FGCQACSQDOSUBD-MRXNPFEDSA-N 1 2 346.475 2.516 40 0 EFABLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096484673 473443493 /nfs/dbraw/zinc/44/34/93/473443493.db2.gz XOTVNCOOXWSZMK-HOCLYGCPSA-N 1 2 337.782 2.571 40 0 EFABLO C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096484673 473443498 /nfs/dbraw/zinc/44/34/98/473443498.db2.gz XOTVNCOOXWSZMK-HOCLYGCPSA-N 1 2 337.782 2.571 40 0 EFABLO Cc1ncsc1C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000096486213 473445073 /nfs/dbraw/zinc/44/50/73/473445073.db2.gz KHBHRHKOZNNYHE-LBPRGKRZSA-N 1 2 340.246 2.530 40 0 EFABLO COc1ccccc1/C=C/CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000096489513 473445832 /nfs/dbraw/zinc/44/58/32/473445832.db2.gz WCEBRIJWALTRII-FNORWQNLSA-N 1 2 327.428 2.823 40 0 EFABLO COc1ccccc1/C=C/C[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000096489513 473445840 /nfs/dbraw/zinc/44/58/40/473445840.db2.gz WCEBRIJWALTRII-FNORWQNLSA-N 1 2 327.428 2.823 40 0 EFABLO CCc1nnc(C[N@@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)n1C ZINC000096490600 473446668 /nfs/dbraw/zinc/44/66/68/473446668.db2.gz VPDMOLPTBXYMSF-AWEZNQCLSA-N 1 2 338.459 2.942 40 0 EFABLO CCc1nnc(C[N@H+]2CCC[C@H](c3nc4ccc(C)cc4[nH]3)C2)n1C ZINC000096490600 473446675 /nfs/dbraw/zinc/44/66/75/473446675.db2.gz VPDMOLPTBXYMSF-AWEZNQCLSA-N 1 2 338.459 2.942 40 0 EFABLO CCc1nnc(C[N@@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)n1C ZINC000096490600 473446681 /nfs/dbraw/zinc/44/66/81/473446681.db2.gz VPDMOLPTBXYMSF-AWEZNQCLSA-N 1 2 338.459 2.942 40 0 EFABLO CCc1nnc(C[N@H+]2CCC[C@H](c3nc4cc(C)ccc4[nH]3)C2)n1C ZINC000096490600 473446685 /nfs/dbraw/zinc/44/66/85/473446685.db2.gz VPDMOLPTBXYMSF-AWEZNQCLSA-N 1 2 338.459 2.942 40 0 EFABLO COCC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000096503140 473455027 /nfs/dbraw/zinc/45/50/27/473455027.db2.gz LDSQZROETVNCCM-UONOGXRCSA-N 1 2 325.478 2.561 40 0 EFABLO CC(C)Oc1cc(CN(c2[nH+]cnc3c2cnn3C)C2CC2)ccn1 ZINC000186441640 473674736 /nfs/dbraw/zinc/67/47/36/473674736.db2.gz UZJONIRSHMBVEI-UHFFFAOYSA-N 1 2 338.415 2.715 40 0 EFABLO NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192462827 473682725 /nfs/dbraw/zinc/68/27/25/473682725.db2.gz HDEZCAUQXXPQBW-SFHVURJKSA-N 1 2 340.398 2.947 40 0 EFABLO Cc1c[nH+]ccc1NC(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000179407963 473685506 /nfs/dbraw/zinc/68/55/06/473685506.db2.gz DPRIRVRMWFXYFZ-LLVKDONJSA-N 1 2 346.337 2.595 40 0 EFABLO Cc1ccc(OC2CC[NH+]([C@@H](C)c3nc(C)cc(=O)[nH]3)CC2)nc1 ZINC000192720842 473711909 /nfs/dbraw/zinc/71/19/09/473711909.db2.gz BAMCSBABXJYIIB-AWEZNQCLSA-N 1 2 328.416 2.798 40 0 EFABLO CSC1(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000194897987 473973411 /nfs/dbraw/zinc/97/34/11/473973411.db2.gz GOIUWTSLMRELIZ-UHFFFAOYSA-N 1 2 330.457 2.626 40 0 EFABLO O=C(NCC[C@H]1CCCCO1)NCc1ccccc1-n1cc[nH+]c1 ZINC000181066715 474003237 /nfs/dbraw/zinc/00/32/37/474003237.db2.gz YICFNDRXUSUSBO-MRXNPFEDSA-N 1 2 328.416 2.631 40 0 EFABLO O=C1C[C@@H]([NH+]2CCC(c3ccsc3)CC2)C(=O)N1CC(F)(F)F ZINC000195247847 474039353 /nfs/dbraw/zinc/03/93/53/474039353.db2.gz FQOVEFSPRZUGAZ-GFCCVEGCSA-N 1 2 346.374 2.617 40 0 EFABLO Cc1ccsc1-c1nnc(SCC[N@@H+]2CCO[C@@H](C)C2)o1 ZINC000188314166 474055349 /nfs/dbraw/zinc/05/53/49/474055349.db2.gz PRYDOJNRNVIDTJ-NSHDSACASA-N 1 2 325.459 2.919 40 0 EFABLO Cc1ccsc1-c1nnc(SCC[N@H+]2CCO[C@@H](C)C2)o1 ZINC000188314166 474055354 /nfs/dbraw/zinc/05/53/54/474055354.db2.gz PRYDOJNRNVIDTJ-NSHDSACASA-N 1 2 325.459 2.919 40 0 EFABLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CC(=O)NCc1ccccn1 ZINC000195530152 474089608 /nfs/dbraw/zinc/08/96/08/474089608.db2.gz VGVDWMMJVQGKSQ-QINHECLXSA-N 1 2 339.439 2.548 40 0 EFABLO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CC(=O)NCc1ccccn1 ZINC000195530152 474089619 /nfs/dbraw/zinc/08/96/19/474089619.db2.gz VGVDWMMJVQGKSQ-QINHECLXSA-N 1 2 339.439 2.548 40 0 EFABLO CCCn1nnnc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000195539018 474091744 /nfs/dbraw/zinc/09/17/44/474091744.db2.gz OCTFKNIQAXSOEY-HUUCEWRRSA-N 1 2 333.436 2.544 40 0 EFABLO CCCn1nnnc1C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000195539018 474091751 /nfs/dbraw/zinc/09/17/51/474091751.db2.gz OCTFKNIQAXSOEY-HUUCEWRRSA-N 1 2 333.436 2.544 40 0 EFABLO c1csc(N2CCC([NH2+]c3ccc(-n4ccnn4)cc3)CC2)n1 ZINC000195557331 474094555 /nfs/dbraw/zinc/09/45/55/474094555.db2.gz PRWZFTHBZNNUMU-UHFFFAOYSA-N 1 2 326.429 2.805 40 0 EFABLO Cn1cc(C[N@H+](C)CC(C)(C)S(C)(=O)=O)c(C2CCCCC2)n1 ZINC000195560406 474096220 /nfs/dbraw/zinc/09/62/20/474096220.db2.gz LLRJEBQNUNSWSQ-UHFFFAOYSA-N 1 2 341.521 2.723 40 0 EFABLO Cn1cc(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)c(C2CCCCC2)n1 ZINC000195560406 474096228 /nfs/dbraw/zinc/09/62/28/474096228.db2.gz LLRJEBQNUNSWSQ-UHFFFAOYSA-N 1 2 341.521 2.723 40 0 EFABLO CS[C@@H]1CC[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccccn3)CC2)C1 ZINC000195564801 474097541 /nfs/dbraw/zinc/09/75/41/474097541.db2.gz IFYCCWPZGQRZMG-HRCADAONSA-N 1 2 348.516 2.754 40 0 EFABLO O=C(NCCc1cn2c([nH+]1)CCCC2)c1cccnc1C(F)(F)F ZINC000195578010 474099871 /nfs/dbraw/zinc/09/98/71/474099871.db2.gz DVWZQLREIUXAHP-UHFFFAOYSA-N 1 2 338.333 2.606 40 0 EFABLO O=S(=O)(c1cc(F)ccc1OCC1CC1)N1CCc2c[nH+]ccc21 ZINC000195578815 474100329 /nfs/dbraw/zinc/10/03/29/474100329.db2.gz RNSVWUDQKOXXMY-UHFFFAOYSA-N 1 2 348.399 2.761 40 0 EFABLO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccoc1)c1ccccc1 ZINC000247507232 474168842 /nfs/dbraw/zinc/16/88/42/474168842.db2.gz RVPKKXGQVHVCGK-FHWLQOOXSA-N 1 2 340.423 2.689 40 0 EFABLO O=C(NC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccoc1)c1ccccc1 ZINC000247507232 474168848 /nfs/dbraw/zinc/16/88/48/474168848.db2.gz RVPKKXGQVHVCGK-FHWLQOOXSA-N 1 2 340.423 2.689 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3COc2ncccc2F)n1 ZINC000247863601 474217407 /nfs/dbraw/zinc/21/74/07/474217407.db2.gz HLLIVZBRJODILF-HNNXBMFYSA-N 1 2 343.402 2.594 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CCO3)n1 ZINC000247869741 474218589 /nfs/dbraw/zinc/21/85/89/474218589.db2.gz KLXGPSLHMGOCNJ-IBGZPJMESA-N 1 2 339.439 2.735 40 0 EFABLO O=C(CC1CCCC1)N1Cc2c[nH+]cn2[C@@H](COc2ccccn2)C1 ZINC000247865897 474218783 /nfs/dbraw/zinc/21/87/83/474218783.db2.gz OOBMDAFNUWQIJS-QGZVFWFLSA-N 1 2 340.427 2.821 40 0 EFABLO COC[C@H]1CN(C(=O)c2cc3ccccc3s2)Cc2c[nH+]cn21 ZINC000247881809 474220882 /nfs/dbraw/zinc/22/08/82/474220882.db2.gz QDAZSPDEWJGGLY-CQSZACIVSA-N 1 2 327.409 2.941 40 0 EFABLO C[N@@H+]1CCC[C@@H]2C[NH+](CC3(C[NH+]4CCOCC4)CCCCC3)CC[C@H]21 ZINC000230182174 474259532 /nfs/dbraw/zinc/25/95/32/474259532.db2.gz AZXCNRWFSJJBRE-WOJBJXKFSA-N 1 2 349.563 2.685 40 0 EFABLO COCc1noc([C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1 ZINC000249036150 474507962 /nfs/dbraw/zinc/50/79/62/474507962.db2.gz MPUCJLKDKXOZPJ-RJIBLYRGSA-N 1 2 339.342 2.675 40 0 EFABLO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184475400 474522293 /nfs/dbraw/zinc/52/22/93/474522293.db2.gz DJQZVKKRMMHTOC-AAEUAGOBSA-N 1 2 347.488 2.630 40 0 EFABLO Fc1ccc(NCc2cccc(OCC[NH+]3CCOCC3)c2)nc1 ZINC000239762121 474547765 /nfs/dbraw/zinc/54/77/65/474547765.db2.gz CKWNDQJJCNKZJI-UHFFFAOYSA-N 1 2 331.391 2.544 40 0 EFABLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@@H]1CSCCS1 ZINC000242191337 474558184 /nfs/dbraw/zinc/55/81/84/474558184.db2.gz XESVLSDXBCTGDD-STQMWFEESA-N 1 2 325.503 2.805 40 0 EFABLO CCn1nccc1C[N@@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000184742832 474599591 /nfs/dbraw/zinc/59/95/91/474599591.db2.gz SIIMYWTUZHNXRR-UHFFFAOYSA-N 1 2 335.455 2.901 40 0 EFABLO CCn1nccc1C[N@H+]1CCc2c(ncn2CCc2ccccc2)C1 ZINC000184742832 474599598 /nfs/dbraw/zinc/59/95/98/474599598.db2.gz SIIMYWTUZHNXRR-UHFFFAOYSA-N 1 2 335.455 2.901 40 0 EFABLO CCn1nccc1CN1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000184742832 474599604 /nfs/dbraw/zinc/59/96/04/474599604.db2.gz SIIMYWTUZHNXRR-UHFFFAOYSA-N 1 2 335.455 2.901 40 0 EFABLO Cc1cc(NC(=O)NCc2ccnn2C)c[nH+]c1N1CCCC[C@@H]1C ZINC000272697098 474623197 /nfs/dbraw/zinc/62/31/97/474623197.db2.gz SDRYUJSRYCKHKS-AWEZNQCLSA-N 1 2 342.447 2.824 40 0 EFABLO O[C@@]1(CNc2cc[nH+]c3c(Br)ccc(F)c23)CCOC1 ZINC000252487069 474673060 /nfs/dbraw/zinc/67/30/60/474673060.db2.gz HRSHJOOLJJWYRX-CQSZACIVSA-N 1 2 341.180 2.700 40 0 EFABLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc4ccccc4c3)CC2)cnn1 ZINC000252486872 474673423 /nfs/dbraw/zinc/67/34/23/474673423.db2.gz HPTCJEPPZMOAGR-UHFFFAOYSA-N 1 2 346.434 2.896 40 0 EFABLO O=C([C@@H]1Cc2ccccc2CO1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000253405149 474739964 /nfs/dbraw/zinc/73/99/64/474739964.db2.gz RWUTUFNKZSQWBM-IBGZPJMESA-N 1 2 338.407 2.593 40 0 EFABLO CC(=O)Nc1cccc(NC(=O)C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000253417325 474743367 /nfs/dbraw/zinc/74/33/67/474743367.db2.gz SLSJQNUJJYWTSC-UHFFFAOYSA-N 1 2 338.411 2.895 40 0 EFABLO Nc1[nH+]cnc(N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1Cl ZINC000253418076 474745575 /nfs/dbraw/zinc/74/55/75/474745575.db2.gz JKSOKASOTXWLDR-CHWSQXEVSA-N 1 2 336.798 2.944 40 0 EFABLO Nc1nc[nH+]c(N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)c1Cl ZINC000253418076 474745582 /nfs/dbraw/zinc/74/55/82/474745582.db2.gz JKSOKASOTXWLDR-CHWSQXEVSA-N 1 2 336.798 2.944 40 0 EFABLO CC[C@H]1C[N@H+](Cc2cncc(Br)c2)C[C@]2(CCOC2)O1 ZINC000253428919 474754981 /nfs/dbraw/zinc/75/49/81/474754981.db2.gz NXKTUOJKPPGGPT-GJZGRUSLSA-N 1 2 341.249 2.614 40 0 EFABLO CC[C@H]1C[N@@H+](Cc2cncc(Br)c2)C[C@]2(CCOC2)O1 ZINC000253428919 474754989 /nfs/dbraw/zinc/75/49/89/474754989.db2.gz NXKTUOJKPPGGPT-GJZGRUSLSA-N 1 2 341.249 2.614 40 0 EFABLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000253431992 474756220 /nfs/dbraw/zinc/75/62/20/474756220.db2.gz ILFAUEPTEDWCER-YWZLYKJASA-N 1 2 337.423 2.851 40 0 EFABLO Cc1cncc(O[C@H]2CCOC3(C[NH+](Cc4ccsc4)C3)C2)n1 ZINC000253601929 474771640 /nfs/dbraw/zinc/77/16/40/474771640.db2.gz YHVNKEDEZBFKHK-HNNXBMFYSA-N 1 2 331.441 2.659 40 0 EFABLO Clc1ccc(C[NH+]2CCN(c3nccn4ccnc34)CC2)cc1 ZINC000306125786 474807627 /nfs/dbraw/zinc/80/76/27/474807627.db2.gz DCFAUOHTRMXQFG-UHFFFAOYSA-N 1 2 327.819 2.705 40 0 EFABLO O=C(C1CC1)N1CC[C@@]2(Cc3[nH+]cc(-c4ccc(F)cc4)n3C2)C1 ZINC000306132013 474810611 /nfs/dbraw/zinc/81/06/11/474810611.db2.gz KVRYMPZZXJNFNZ-LJQANCHMSA-N 1 2 325.387 2.874 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2c(C)[nH+]c3ccccn32)n1 ZINC000257279062 474927277 /nfs/dbraw/zinc/92/72/77/474927277.db2.gz OEWIESVTSYDGDO-HNNXBMFYSA-N 1 2 337.427 2.591 40 0 EFABLO COc1ccc2[nH]c(CN3CCOC[C@@H]3c3[nH]cc(C)[nH+]3)cc2c1 ZINC000257287644 474934189 /nfs/dbraw/zinc/93/41/89/474934189.db2.gz PQXPXWAWHAGXFW-QGZVFWFLSA-N 1 2 326.400 2.782 40 0 EFABLO Cn1c[nH+]cc1-c1ccc(CC2CCN(c3ncccn3)CC2)cn1 ZINC000257290843 474934967 /nfs/dbraw/zinc/93/49/67/474934967.db2.gz QEOXXBVJJTZPBW-UHFFFAOYSA-N 1 2 334.427 2.731 40 0 EFABLO CNc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)cc[nH+]1 ZINC000257289854 474935059 /nfs/dbraw/zinc/93/50/59/474935059.db2.gz QALMKDCMGIVASC-OAHLLOKOSA-N 1 2 335.404 2.788 40 0 EFABLO Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)s1 ZINC000257291130 474935952 /nfs/dbraw/zinc/93/59/52/474935952.db2.gz QFUGQRWPGDCYKG-GFCCVEGCSA-N 1 2 339.486 2.563 40 0 EFABLO Cc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)s1 ZINC000257291130 474935960 /nfs/dbraw/zinc/93/59/60/474935960.db2.gz QFUGQRWPGDCYKG-GFCCVEGCSA-N 1 2 339.486 2.563 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2c(F)cccc2Cl)[nH+]1 ZINC000257293094 474936328 /nfs/dbraw/zinc/93/63/28/474936328.db2.gz QOBQOFBRUSOQHI-CQSZACIVSA-N 1 2 337.782 2.653 40 0 EFABLO CCn1nc(C(=O)N2CCC[C@H](c3cc[nH+]c(NC)c3)C2)cc1C ZINC000257294552 474936398 /nfs/dbraw/zinc/93/63/98/474936398.db2.gz QURBKZQRIHPGKA-HNNXBMFYSA-N 1 2 327.432 2.668 40 0 EFABLO COc1ccc([C@@H]2CN(C(=O)CCc3cccnc3)CC[N@@H+]2C)cc1 ZINC000257299617 474940902 /nfs/dbraw/zinc/94/09/02/474940902.db2.gz RQUMHYNFJQHRFF-IBGZPJMESA-N 1 2 339.439 2.538 40 0 EFABLO COc1ccc([C@@H]2CN(C(=O)CCc3cccnc3)CC[N@H+]2C)cc1 ZINC000257299617 474940912 /nfs/dbraw/zinc/94/09/12/474940912.db2.gz RQUMHYNFJQHRFF-IBGZPJMESA-N 1 2 339.439 2.538 40 0 EFABLO COc1ccccc1C(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257298730 474941468 /nfs/dbraw/zinc/94/14/68/474941468.db2.gz RNAWOBVSQUSFEJ-HNNXBMFYSA-N 1 2 325.412 2.831 40 0 EFABLO Cc1ccsc1C(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257300419 474941528 /nfs/dbraw/zinc/94/15/28/474941528.db2.gz RUEJDKNBFJBEQK-SFHVURJKSA-N 1 2 345.468 2.555 40 0 EFABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cnccn2)[nH+]1 ZINC000257302239 474942286 /nfs/dbraw/zinc/94/22/86/474942286.db2.gz SCBUHVWZXNVXRC-INIZCTEOSA-N 1 2 339.443 2.565 40 0 EFABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cnccn2)[nH+]1 ZINC000257302240 474943102 /nfs/dbraw/zinc/94/31/02/474943102.db2.gz SCBUHVWZXNVXRC-MRXNPFEDSA-N 1 2 339.443 2.565 40 0 EFABLO CCc1noc(C)c1C(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257308487 474946271 /nfs/dbraw/zinc/94/62/71/474946271.db2.gz TWWUIKVDUFHBDJ-AWEZNQCLSA-N 1 2 328.416 2.681 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)c2cccc3c2OCCO3)cc[nH+]1 ZINC000257320816 474950611 /nfs/dbraw/zinc/95/06/11/474950611.db2.gz VYTUIBIPDOXBNW-HNNXBMFYSA-N 1 2 339.395 2.872 40 0 EFABLO CCCn1ccnc1C[N@@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257321749 474952945 /nfs/dbraw/zinc/95/29/45/474952945.db2.gz WDBVCCUQRWCVMI-HNNXBMFYSA-N 1 2 340.431 2.769 40 0 EFABLO CCCn1ccnc1C[N@H+]1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257321749 474952950 /nfs/dbraw/zinc/95/29/50/474952950.db2.gz WDBVCCUQRWCVMI-HNNXBMFYSA-N 1 2 340.431 2.769 40 0 EFABLO CCCn1cc[nH+]c1CN1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257321749 474952956 /nfs/dbraw/zinc/95/29/56/474952956.db2.gz WDBVCCUQRWCVMI-HNNXBMFYSA-N 1 2 340.431 2.769 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)Cc2c(C)nc3ccccn32)cc[nH+]1 ZINC000257325144 474954932 /nfs/dbraw/zinc/95/49/32/474954932.db2.gz WRQXRFHJNCWIAK-MRXNPFEDSA-N 1 2 349.438 2.986 40 0 EFABLO Cc1cnc([C@H]2C[N@H+](Cc3ccccc3N3CCCC3)CCO2)cn1 ZINC000257325918 474955323 /nfs/dbraw/zinc/95/53/23/474955323.db2.gz WVAIOPWJMVIRDZ-HXUWFJFHSA-N 1 2 338.455 2.959 40 0 EFABLO Cc1cnc([C@H]2C[N@@H+](Cc3ccccc3N3CCCC3)CCO2)cn1 ZINC000257325918 474955334 /nfs/dbraw/zinc/95/53/34/474955334.db2.gz WVAIOPWJMVIRDZ-HXUWFJFHSA-N 1 2 338.455 2.959 40 0 EFABLO c1c[nH]c(C[N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257327091 474956413 /nfs/dbraw/zinc/95/64/13/474956413.db2.gz WZWUYRPHPMBKGP-HKUYNNGSSA-N 1 2 327.428 2.750 40 0 EFABLO c1c[nH]c(C[N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)n1 ZINC000257327091 474956421 /nfs/dbraw/zinc/95/64/21/474956421.db2.gz WZWUYRPHPMBKGP-HKUYNNGSSA-N 1 2 327.428 2.750 40 0 EFABLO CCc1cc(C(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)on1 ZINC000257330727 474957286 /nfs/dbraw/zinc/95/72/86/474957286.db2.gz XPQMUXCSMLLBOL-CQSZACIVSA-N 1 2 328.416 2.718 40 0 EFABLO Cc1cc2nc(C3CC[NH+](Cc4csc(C)n4)CC3)cc(=O)n2[nH]1 ZINC000257332438 474958684 /nfs/dbraw/zinc/95/86/84/474958684.db2.gz XXIMJYWQUMZSNL-UHFFFAOYSA-N 1 2 343.456 2.888 40 0 EFABLO Cc1cc(C)n(CCCC(=O)N2CCC[C@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257342343 474964101 /nfs/dbraw/zinc/96/41/01/474964101.db2.gz ZOFKGFXQYJIPBF-KRWDZBQOSA-N 1 2 343.475 2.728 40 0 EFABLO Cc1cc(C)n(CCCC(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)n1 ZINC000257342344 474964131 /nfs/dbraw/zinc/96/41/31/474964131.db2.gz ZOFKGFXQYJIPBF-QGZVFWFLSA-N 1 2 343.475 2.728 40 0 EFABLO CCCn1nc(C)c(C(=O)N2CCC[C@@H](c3[nH+]c(C)cn3C)C2)c1C ZINC000257343990 474964778 /nfs/dbraw/zinc/96/47/78/474964778.db2.gz ZVHCLDVGMPWDOL-MRXNPFEDSA-N 1 2 343.475 2.972 40 0 EFABLO Cc1cncc(C2CC[NH+](Cc3ccc(S(C)(=O)=O)cc3)CC2)n1 ZINC000257343036 474965073 /nfs/dbraw/zinc/96/50/73/474965073.db2.gz ZREJZWZAWOEPHS-UHFFFAOYSA-N 1 2 345.468 2.568 40 0 EFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2CC ZINC000261363083 474973399 /nfs/dbraw/zinc/97/33/99/474973399.db2.gz FWMYLJALWBKLBI-ZDUSSCGKSA-O 1 2 345.448 2.914 40 0 EFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2CC ZINC000261363522 474973493 /nfs/dbraw/zinc/97/34/93/474973493.db2.gz HIGMQHKPLFEOHZ-ZDUSSCGKSA-O 1 2 331.421 2.524 40 0 EFABLO Cc1c[nH+]ccc1OC1CCN(C(=O)c2c(O)cccc2F)CC1 ZINC000332142383 475528952 /nfs/dbraw/zinc/52/89/52/475528952.db2.gz RUWKTWWQLWHPLL-UHFFFAOYSA-N 1 2 330.359 2.918 40 0 EFABLO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cnn1 ZINC000332917675 475782607 /nfs/dbraw/zinc/78/26/07/475782607.db2.gz YUEJAMIHGZZWKY-HOTGVXAUSA-N 1 2 348.809 2.753 40 0 EFABLO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cnn1 ZINC000332917675 475782613 /nfs/dbraw/zinc/78/26/13/475782613.db2.gz YUEJAMIHGZZWKY-HOTGVXAUSA-N 1 2 348.809 2.753 40 0 EFABLO c1ccc(OC2CCC2)c(CNc2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000302901146 476210185 /nfs/dbraw/zinc/21/01/85/476210185.db2.gz QOOVGBNFUSBOCB-UHFFFAOYSA-N 1 2 340.427 2.857 40 0 EFABLO c1ccc(OC2CCC2)c(CNc2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000302901146 476210194 /nfs/dbraw/zinc/21/01/94/476210194.db2.gz QOOVGBNFUSBOCB-UHFFFAOYSA-N 1 2 340.427 2.857 40 0 EFABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3C[C@H]2COCC2CC2)c(C)o1 ZINC000585094577 479280131 /nfs/dbraw/zinc/28/01/31/479280131.db2.gz CEEXHIKWJAZSHD-HNNXBMFYSA-N 1 2 343.427 2.624 40 0 EFABLO O=C(c1cccnc1)N1Cc2c[nH+]cn2CC[C@H]1COc1ccccc1 ZINC000585097107 479281196 /nfs/dbraw/zinc/28/11/96/479281196.db2.gz HNRPEOCASIITJC-KRWDZBQOSA-N 1 2 348.406 2.772 40 0 EFABLO C[C@@H]1c2[nH+]cc(CCOc3cccnc3)n2CCN1Cc1cccnc1 ZINC000585097316 479281953 /nfs/dbraw/zinc/28/19/53/479281953.db2.gz ILIYNFFPENOXDO-MRXNPFEDSA-N 1 2 349.438 2.871 40 0 EFABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)n1 ZINC000585103958 479284350 /nfs/dbraw/zinc/28/43/50/479284350.db2.gz FCAIDWLMZSRBRC-LJQANCHMSA-N 1 2 339.439 2.735 40 0 EFABLO O=C(NC[C@@H]1CCC2(C[NH+](Cc3ccsc3)C2)OC1)N1CCCC1 ZINC000585103627 479284502 /nfs/dbraw/zinc/28/45/02/479284502.db2.gz CBMBRKNJPKSFJS-HNNXBMFYSA-N 1 2 349.500 2.535 40 0 EFABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@H]3COc2cccnc2)cc1 ZINC000585102696 479284725 /nfs/dbraw/zinc/28/47/25/479284725.db2.gz GOYNSHHWDYAJID-KRWDZBQOSA-N 1 2 340.423 2.760 40 0 EFABLO CC(C)C(=O)NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112911 479288704 /nfs/dbraw/zinc/28/87/04/479288704.db2.gz YJRCDIGSBMYLNQ-KRWDZBQOSA-N 1 2 326.444 2.602 40 0 EFABLO CC(C)C(=O)NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112911 479288711 /nfs/dbraw/zinc/28/87/11/479288711.db2.gz YJRCDIGSBMYLNQ-KRWDZBQOSA-N 1 2 326.444 2.602 40 0 EFABLO CC(C)C(=O)NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585112166 479289041 /nfs/dbraw/zinc/28/90/41/479289041.db2.gz JYHSNQMDKJMKAD-HNNXBMFYSA-N 1 2 332.473 2.664 40 0 EFABLO CC(C)C(=O)NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585112166 479289045 /nfs/dbraw/zinc/28/90/45/479289045.db2.gz JYHSNQMDKJMKAD-HNNXBMFYSA-N 1 2 332.473 2.664 40 0 EFABLO CO[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000585140883 479298870 /nfs/dbraw/zinc/29/88/70/479298870.db2.gz KYTIHGYONPBPNS-AWEZNQCLSA-N 1 2 333.215 2.627 40 0 EFABLO CO[C@@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000585140883 479298873 /nfs/dbraw/zinc/29/88/73/479298873.db2.gz KYTIHGYONPBPNS-AWEZNQCLSA-N 1 2 333.215 2.627 40 0 EFABLO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2ncccn2)[C@@H]1C ZINC000585141590 479299299 /nfs/dbraw/zinc/29/92/99/479299299.db2.gz DDVLYRWZHZUYFE-RBSFLKMASA-N 1 2 334.464 2.990 40 0 EFABLO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2ncccn2)[C@@H]1C ZINC000585141590 479299305 /nfs/dbraw/zinc/29/93/05/479299305.db2.gz DDVLYRWZHZUYFE-RBSFLKMASA-N 1 2 334.464 2.990 40 0 EFABLO CNc1[nH+]c([C@H]2CCCCN2C(=O)c2ccncc2)c2sccn12 ZINC000585178006 479302265 /nfs/dbraw/zinc/30/22/65/479302265.db2.gz URTPLJRQJCJUSX-CYBMUJFWSA-N 1 2 341.440 3.200 40 0 EFABLO CCCn1ccnc1C[N@@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585269494 479303778 /nfs/dbraw/zinc/30/37/78/479303778.db2.gz XBKUKJKNMDJDAV-LJQANCHMSA-N 1 2 329.444 2.699 40 0 EFABLO CCCn1ccnc1C[N@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585269494 479303785 /nfs/dbraw/zinc/30/37/85/479303785.db2.gz XBKUKJKNMDJDAV-LJQANCHMSA-N 1 2 329.444 2.699 40 0 EFABLO Cc1cccc(OC[C@@]2(O)CC[N@@H+](Cc3nccn3C(C)C)C2)c1 ZINC000585269026 479303956 /nfs/dbraw/zinc/30/39/56/479303956.db2.gz HXICJDGXNJVGKG-LJQANCHMSA-N 1 2 329.444 2.788 40 0 EFABLO Cc1cccc(OC[C@@]2(O)CC[N@H+](Cc3nccn3C(C)C)C2)c1 ZINC000585269026 479303962 /nfs/dbraw/zinc/30/39/62/479303962.db2.gz HXICJDGXNJVGKG-LJQANCHMSA-N 1 2 329.444 2.788 40 0 EFABLO CO[C@]1(COc2ccccc2)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000585288870 479309380 /nfs/dbraw/zinc/30/93/80/479309380.db2.gz KJWFZNUXNVTXLW-CSHXORCISA-N 1 2 341.411 2.510 40 0 EFABLO OCc1cc[nH+]c(N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000641333111 480908322 /nfs/dbraw/zinc/90/83/22/480908322.db2.gz ZQJVEQBITJHCEU-UHFFFAOYSA-N 1 2 335.411 2.743 40 0 EFABLO Cn1ncc(Cl)c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000187425531 534829030 /nfs/dbraw/zinc/82/90/30/534829030.db2.gz IOARQAGIUIJHCX-CQSZACIVSA-N 1 2 327.856 2.624 40 0 EFABLO c1cn(-c2cc(N(Cc3ccccc3)C[C@@H]3CCCO3)ncn2)c[nH+]1 ZINC000095430918 526523099 /nfs/dbraw/zinc/52/30/99/526523099.db2.gz PZFQLZIXUSLVJV-KRWDZBQOSA-N 1 2 335.411 2.848 40 0 EFABLO CC(C)[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000035289880 535169998 /nfs/dbraw/zinc/16/99/98/535169998.db2.gz SQOCELGGKCVGJB-QGZVFWFLSA-N 1 2 328.464 2.773 40 0 EFABLO CN(C(=O)Cn1cnc2ccccc21)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257254914 536013138 /nfs/dbraw/zinc/01/31/38/536013138.db2.gz KFFMMJXBQADBMS-INIZCTEOSA-N 1 2 349.438 2.559 40 0 EFABLO Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H]1CCCn2ncnc21 ZINC000585141483 1250171991 /nfs/dbraw/zinc/17/19/91/1250171991.db2.gz WRDPWEVQFBNRLD-OAHLLOKOSA-N 1 2 326.379 2.536 40 0 EFABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](Cc1cccc(F)c1F)CC3 ZINC000100769178 219105851 /nfs/dbraw/zinc/10/58/51/219105851.db2.gz RQPYYDGPVXMMMO-UHFFFAOYSA-N 1 2 344.365 2.622 40 0 EFABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@@H+](Cc1cccc(F)c1F)CC3 ZINC000100769178 219105853 /nfs/dbraw/zinc/10/58/53/219105853.db2.gz RQPYYDGPVXMMMO-UHFFFAOYSA-N 1 2 344.365 2.622 40 0 EFABLO COc1cc2c(cc1OC)[C@H](C)[N@H+](CC(=O)NCc1ccco1)CC2 ZINC000004090381 210117664 /nfs/dbraw/zinc/11/76/64/210117664.db2.gz RGGBWRSCFNDTMG-ZDUSSCGKSA-N 1 2 344.411 2.532 40 0 biogenic EFABLO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CC(=O)NCc1ccco1)CC2 ZINC000004090381 210117668 /nfs/dbraw/zinc/11/76/68/210117668.db2.gz RGGBWRSCFNDTMG-ZDUSSCGKSA-N 1 2 344.411 2.532 40 0 biogenic EFABLO COc1ccc(C[N@H+](C)CC(=O)Nc2cccc(F)c2)cc1OC ZINC000003540697 210049912 /nfs/dbraw/zinc/04/99/12/210049912.db2.gz BUBDDOKNCWJDPV-UHFFFAOYSA-N 1 2 332.375 2.913 40 0 EFABLO COc1ccc(C[N@@H+](C)CC(=O)Nc2cccc(F)c2)cc1OC ZINC000003540697 210049917 /nfs/dbraw/zinc/04/99/17/210049917.db2.gz BUBDDOKNCWJDPV-UHFFFAOYSA-N 1 2 332.375 2.913 40 0 EFABLO O=S1(=O)[C@H](C2CCCCC2)[C@]2([NH+]3CCOCC3)CCCCC[C@@H]21 ZINC000104126415 219349913 /nfs/dbraw/zinc/34/99/13/219349913.db2.gz KFAGSDTTWOOWFW-KSZLIROESA-N 1 2 341.517 2.767 40 0 EFABLO COC(=O)c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000038835158 213228034 /nfs/dbraw/zinc/22/80/34/213228034.db2.gz CXMYNJMMWBSBJO-UHFFFAOYSA-N 1 2 335.363 2.970 40 0 EFABLO C[C@@H](c1nnnn1C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000189605295 237067882 /nfs/dbraw/zinc/06/78/82/237067882.db2.gz GZVYULINCAHZTM-JTQLQIEISA-N 1 2 346.822 2.945 40 0 EFABLO CCn1cc(C(=O)N2CC[N@H+](Cc3ccco3)C[C@@H]2C(C)C)c(C)n1 ZINC000072324111 216151488 /nfs/dbraw/zinc/15/14/88/216151488.db2.gz GEAPJIZUXDXHKR-GOSISDBHSA-N 1 2 344.459 2.787 40 0 EFABLO CCn1cc(C(=O)N2CC[N@@H+](Cc3ccco3)C[C@@H]2C(C)C)c(C)n1 ZINC000072324111 216151492 /nfs/dbraw/zinc/15/14/92/216151492.db2.gz GEAPJIZUXDXHKR-GOSISDBHSA-N 1 2 344.459 2.787 40 0 EFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccco2)C3)CC1 ZINC000072335451 216157660 /nfs/dbraw/zinc/15/76/60/216157660.db2.gz CVQOVGGSKOZKNH-UHFFFAOYSA-N 1 2 328.416 2.570 40 0 EFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccco2)C3)CC1 ZINC000072335451 216157662 /nfs/dbraw/zinc/15/76/62/216157662.db2.gz CVQOVGGSKOZKNH-UHFFFAOYSA-N 1 2 328.416 2.570 40 0 EFABLO COc1ccc2[nH]c(C[N@@H+]3CCc4c(nc(C)[nH]c4=O)C3)c(C)c2c1 ZINC000072347448 216160640 /nfs/dbraw/zinc/16/06/40/216160640.db2.gz RMCGDPUWFYWMKO-UHFFFAOYSA-N 1 2 338.411 2.847 40 0 EFABLO COc1ccc2[nH]c(C[N@H+]3CCc4c(nc(C)[nH]c4=O)C3)c(C)c2c1 ZINC000072347448 216160642 /nfs/dbraw/zinc/16/06/42/216160642.db2.gz RMCGDPUWFYWMKO-UHFFFAOYSA-N 1 2 338.411 2.847 40 0 EFABLO c1c[nH]c(C[N@@H+]2CCC[C@@H](c3cncc(Nc4ccccn4)n3)C2)n1 ZINC000072354370 216161580 /nfs/dbraw/zinc/16/15/80/216161580.db2.gz AEWYSZXNTBCRLC-CQSZACIVSA-N 1 2 335.415 2.718 40 0 EFABLO c1c[nH]c(C[N@H+]2CCC[C@@H](c3cncc(Nc4ccccn4)n3)C2)n1 ZINC000072354370 216161582 /nfs/dbraw/zinc/16/15/82/216161582.db2.gz AEWYSZXNTBCRLC-CQSZACIVSA-N 1 2 335.415 2.718 40 0 EFABLO O=C(c1ccccc1)N1CCC(c2cncc(-n3cc[nH+]c3)n2)CC1 ZINC000072355334 216164128 /nfs/dbraw/zinc/16/41/28/216164128.db2.gz BXJQXXFJSMKULP-UHFFFAOYSA-N 1 2 333.395 2.682 40 0 EFABLO NC(=O)C[NH+]1CCC(c2nccnc2Oc2ccc(Cl)cc2)CC1 ZINC000072361844 216168556 /nfs/dbraw/zinc/16/85/56/216168556.db2.gz OYKDJGDIGSYNKB-UHFFFAOYSA-N 1 2 346.818 2.587 40 0 EFABLO COCC(=O)N1CCC[C@@H]1c1cccc(-n2cc[nH+]c2C(C)C)n1 ZINC000072378908 216181300 /nfs/dbraw/zinc/18/13/00/216181300.db2.gz MFPVWZQETIJHDK-OAHLLOKOSA-N 1 2 328.416 2.701 40 0 EFABLO Cc1cc(N2CCC[C@H]2c2cc(Nc3cnccn3)nc(C)n2)nc[nH+]1 ZINC000072382767 216183135 /nfs/dbraw/zinc/18/31/35/216183135.db2.gz NOVLRXVBDQGKMH-HNNXBMFYSA-N 1 2 348.414 2.759 40 0 EFABLO CNc1cc([C@H]2C[N@H+](CCc3ccc(F)cc3)CCO2)nc(C)n1 ZINC000072387850 216188600 /nfs/dbraw/zinc/18/86/00/216188600.db2.gz PTHYVVIDTBJSHC-QGZVFWFLSA-N 1 2 330.407 2.582 40 0 EFABLO CNc1cc([C@H]2C[N@@H+](CCc3ccc(F)cc3)CCO2)nc(C)n1 ZINC000072387850 216188604 /nfs/dbraw/zinc/18/86/04/216188604.db2.gz PTHYVVIDTBJSHC-QGZVFWFLSA-N 1 2 330.407 2.582 40 0 EFABLO O=C(NCCc1ccc(F)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000072752327 216302759 /nfs/dbraw/zinc/30/27/59/216302759.db2.gz IQTNKCRIWXTMBU-UHFFFAOYSA-N 1 2 342.414 2.630 40 0 EFABLO C[C@@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)Oc1ccccc1 ZINC000073038327 216343545 /nfs/dbraw/zinc/34/35/45/216343545.db2.gz VJCPBNOKHXXEHP-HNNXBMFYSA-N 1 2 342.443 2.529 40 0 EFABLO O=C(CCNC(=O)c1ccccc1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000023889317 212398724 /nfs/dbraw/zinc/39/87/24/212398724.db2.gz QIJNNGCROUSFFN-UHFFFAOYSA-N 1 2 334.379 2.631 40 0 EFABLO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000023249012 212363252 /nfs/dbraw/zinc/36/32/52/212363252.db2.gz VLIAKNZVGBHHFI-UHFFFAOYSA-N 1 2 345.468 2.513 40 0 EFABLO C[C@@H](NC(=O)c1ccccc1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180883 212358118 /nfs/dbraw/zinc/35/81/18/212358118.db2.gz NRUIGOGBFOVETN-RHSMWYFYSA-N 1 2 330.453 2.940 40 0 EFABLO C[C@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180892 212358251 /nfs/dbraw/zinc/35/82/51/212358251.db2.gz NRUIGOGBFOVETN-YOEHRIQHSA-N 1 2 330.453 2.940 40 0 EFABLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000022774247 212323233 /nfs/dbraw/zinc/32/32/33/212323233.db2.gz JZOLSNAOCWSHSZ-OAHLLOKOSA-N 1 2 349.906 2.905 40 0 EFABLO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022774247 212323234 /nfs/dbraw/zinc/32/32/34/212323234.db2.gz JZOLSNAOCWSHSZ-OAHLLOKOSA-N 1 2 349.906 2.905 40 0 EFABLO CCS(=O)(=O)c1ccccc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195576144 241022231 /nfs/dbraw/zinc/02/22/31/241022231.db2.gz LERTWRAFZYJFBY-OAHLLOKOSA-N 1 2 345.468 2.814 40 0 EFABLO COc1ccc(-c2noc(CNC(=S)Nc3cc[nH+]cc3)n2)cc1 ZINC000225824780 242051890 /nfs/dbraw/zinc/05/18/90/242051890.db2.gz FLMXYXNUZYONJE-UHFFFAOYSA-N 1 2 341.396 2.627 40 0 EFABLO Fc1cccc([C@@H]2CCC[N@@H+]2Cc2nnnn2CC2CCOCC2)c1 ZINC000242038572 243007188 /nfs/dbraw/zinc/00/71/88/243007188.db2.gz VMFXDSNSMKZJLV-KRWDZBQOSA-N 1 2 345.422 2.576 40 0 EFABLO Fc1cccc([C@@H]2CCC[N@H+]2Cc2nnnn2CC2CCOCC2)c1 ZINC000242038572 243007194 /nfs/dbraw/zinc/00/71/94/243007194.db2.gz VMFXDSNSMKZJLV-KRWDZBQOSA-N 1 2 345.422 2.576 40 0 EFABLO Cc1csc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CS3)n1 ZINC000247925014 243482345 /nfs/dbraw/zinc/48/23/45/243482345.db2.gz ALVXJDOTVFNULI-AWEZNQCLSA-N 1 2 333.482 2.985 40 0 EFABLO CC(C)(C)n1ncnc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000253392430 243890243 /nfs/dbraw/zinc/89/02/43/243890243.db2.gz FOSOFBIAIOUPMP-MRXNPFEDSA-N 1 2 336.480 2.583 40 0 EFABLO CC(C)c1noc([C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@@H+]2C)n1 ZINC000020464311 212135141 /nfs/dbraw/zinc/13/51/41/212135141.db2.gz BKVGQBJNMVQWOZ-KBPBESRZSA-N 1 2 329.404 2.760 40 0 biogenic,in-vitro EFABLO CC(C)c1noc([C@@H]2C[C@H](NC(=O)Nc3ccccc3)C[N@H+]2C)n1 ZINC000020464311 212135144 /nfs/dbraw/zinc/13/51/44/212135144.db2.gz BKVGQBJNMVQWOZ-KBPBESRZSA-N 1 2 329.404 2.760 40 0 biogenic,in-vitro EFABLO c1csc(C[N@H+]2Cc3ccnn3C[C@H](OCc3ccccn3)C2)c1 ZINC000253588816 244029951 /nfs/dbraw/zinc/02/99/51/244029951.db2.gz UBIBNJPQZFBXRL-QGZVFWFLSA-N 1 2 340.452 2.941 40 0 EFABLO c1csc(C[N@@H+]2Cc3ccnn3C[C@H](OCc3ccccn3)C2)c1 ZINC000253588816 244029956 /nfs/dbraw/zinc/02/99/56/244029956.db2.gz UBIBNJPQZFBXRL-QGZVFWFLSA-N 1 2 340.452 2.941 40 0 EFABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](Oc1ncccn1)CCO2 ZINC000253598491 244031425 /nfs/dbraw/zinc/03/14/25/244031425.db2.gz CIHOJAFAHNXALO-CQSZACIVSA-N 1 2 331.441 2.659 40 0 EFABLO c1cc2n(n1)C[C@H](OCC1CCCC1)C[N@@H+](Cc1cccnc1)C2 ZINC000253602177 244034785 /nfs/dbraw/zinc/03/47/85/244034785.db2.gz KCOAPRORJIWXNR-LJQANCHMSA-N 1 2 326.444 2.869 40 0 EFABLO c1cc2n(n1)C[C@H](OCC1CCCC1)C[N@H+](Cc1cccnc1)C2 ZINC000253602177 244034788 /nfs/dbraw/zinc/03/47/88/244034788.db2.gz KCOAPRORJIWXNR-LJQANCHMSA-N 1 2 326.444 2.869 40 0 EFABLO CC(C)n1nccc1C(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257199662 244115774 /nfs/dbraw/zinc/11/57/74/244115774.db2.gz AAISBRZEAYOYFD-OAHLLOKOSA-N 1 2 327.432 2.600 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)[nH+]1 ZINC000257200474 244118998 /nfs/dbraw/zinc/11/89/98/244118998.db2.gz ADMNCIVYLPZZBI-ZDUSSCGKSA-N 1 2 331.420 2.531 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)[nH+]1 ZINC000257200473 244119228 /nfs/dbraw/zinc/11/92/28/244119228.db2.gz ADMNCIVYLPZZBI-CYBMUJFWSA-N 1 2 331.420 2.531 40 0 EFABLO O=C(NCCCn1cc[nH+]c1)c1ccc(F)cc1Br ZINC000020307062 212117545 /nfs/dbraw/zinc/11/75/45/212117545.db2.gz UZGPRWPIRZBRCM-UHFFFAOYSA-N 1 2 326.169 2.605 40 0 EFABLO CCCn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)cn1 ZINC000257209961 244146520 /nfs/dbraw/zinc/14/65/20/244146520.db2.gz BSNYJAHKYIBTMU-GOSISDBHSA-N 1 2 341.459 2.661 40 0 EFABLO CCCn1ccnc1C[N@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)cn1 ZINC000257209961 244146527 /nfs/dbraw/zinc/14/65/27/244146527.db2.gz BSNYJAHKYIBTMU-GOSISDBHSA-N 1 2 341.459 2.661 40 0 EFABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3ccncc3)CC[N@@H+]2C)cc1 ZINC000257223559 244190896 /nfs/dbraw/zinc/19/08/96/244190896.db2.gz DXXXTNDLANAPLC-IBGZPJMESA-N 1 2 339.439 2.998 40 0 EFABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3ccncc3)CC[N@H+]2C)cc1 ZINC000257223559 244190901 /nfs/dbraw/zinc/19/09/01/244190901.db2.gz DXXXTNDLANAPLC-IBGZPJMESA-N 1 2 339.439 2.998 40 0 EFABLO O=C(Oc1ccc(C[NH+]2CCOCC2)c2cccnc12)c1ccco1 ZINC000020265394 212114486 /nfs/dbraw/zinc/11/44/86/212114486.db2.gz LEGXTJJTMWUSRG-UHFFFAOYSA-N 1 2 338.363 2.879 40 0 EFABLO CNc1cccc([C@@H]2C[N@H+](Cc3ccc(F)c(OC)c3)CCO2)n1 ZINC000257243605 244250329 /nfs/dbraw/zinc/25/03/29/244250329.db2.gz IHTBHSCFPBOYNG-KRWDZBQOSA-N 1 2 331.391 2.845 40 0 EFABLO CNc1cccc([C@@H]2C[N@@H+](Cc3ccc(F)c(OC)c3)CCO2)n1 ZINC000257243605 244250333 /nfs/dbraw/zinc/25/03/33/244250333.db2.gz IHTBHSCFPBOYNG-KRWDZBQOSA-N 1 2 331.391 2.845 40 0 EFABLO Cc1nc2ncnn2c(N[C@@H](c2[nH+]ccn2C)c2ccccc2)c1C ZINC000077187999 216853515 /nfs/dbraw/zinc/85/35/15/216853515.db2.gz WLODXUNFABUSNN-OAHLLOKOSA-N 1 2 333.399 2.676 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)COc2ccc(OC)cc2)cc[nH+]1 ZINC000257232828 244219769 /nfs/dbraw/zinc/21/97/69/244219769.db2.gz GMOWWKODBCATDY-KRWDZBQOSA-N 1 2 341.411 2.874 40 0 EFABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)c1ccnc(C)n1)C2 ZINC000257233664 244220484 /nfs/dbraw/zinc/22/04/84/244220484.db2.gz GQEBNXNNOUEFIN-KRWDZBQOSA-N 1 2 333.395 2.687 40 0 EFABLO CC(=O)NC(=Cc1c[nH]c(C)[nH+]1)[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC000257234163 244222198 /nfs/dbraw/zinc/22/21/98/244222198.db2.gz GSKXQGLOUFGADM-IZNAZMGOSA-N 1 2 332.448 2.622 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)[nH+]1 ZINC000257246262 244257374 /nfs/dbraw/zinc/25/73/74/244257374.db2.gz ITIREOYSPUQWOK-GFCCVEGCSA-N 1 2 339.848 2.940 40 0 EFABLO Cn1cncc1-c1cncc(C[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257237438 244233692 /nfs/dbraw/zinc/23/36/92/244233692.db2.gz HGLQKTVUVWBIEE-OAHLLOKOSA-N 1 2 334.427 2.731 40 0 EFABLO Cc1oc2c(c1C(=O)N1CC[C@H](O)[C@@H](n3cc[nH+]c3)CC1)CCCC2 ZINC000257250097 244265521 /nfs/dbraw/zinc/26/55/21/244265521.db2.gz JLANLUBHZYKIKY-HOTGVXAUSA-N 1 2 343.427 2.502 40 0 EFABLO Cc1ccnc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257250658 244268234 /nfs/dbraw/zinc/26/82/34/244268234.db2.gz JNLKICLAKPTZPY-KRWDZBQOSA-N 1 2 335.411 2.749 40 0 EFABLO Cc1ccnc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257250658 244268240 /nfs/dbraw/zinc/26/82/40/244268240.db2.gz JNLKICLAKPTZPY-KRWDZBQOSA-N 1 2 335.411 2.749 40 0 EFABLO COc1ccc([C@@H]2CN(C(=O)c3ccnn3C(C)C)CC[N@@H+]2C)cc1 ZINC000257254233 244276472 /nfs/dbraw/zinc/27/64/72/244276472.db2.gz KCHBHGATEYSXKD-SFHVURJKSA-N 1 2 342.443 2.602 40 0 EFABLO COc1ccc([C@@H]2CN(C(=O)c3ccnn3C(C)C)CC[N@H+]2C)cc1 ZINC000257254233 244276478 /nfs/dbraw/zinc/27/64/78/244276478.db2.gz KCHBHGATEYSXKD-SFHVURJKSA-N 1 2 342.443 2.602 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)c2noc3c2CCCC3)cc[nH+]1 ZINC000257257438 244285088 /nfs/dbraw/zinc/28/50/88/244285088.db2.gz KPOKCLQOCIERHJ-AWEZNQCLSA-N 1 2 326.400 2.967 40 0 EFABLO Cc1cc(C(=O)N2CCc3ccccc3C2)nc([C@H]2CCC[N@H+]2C)n1 ZINC000257257652 244287412 /nfs/dbraw/zinc/28/74/12/244287412.db2.gz KQOJMMLSFHTFGX-GOSISDBHSA-N 1 2 336.439 2.750 40 0 EFABLO Cc1cc(C(=O)N2CCc3ccccc3C2)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000257257652 244287420 /nfs/dbraw/zinc/28/74/20/244287420.db2.gz KQOJMMLSFHTFGX-GOSISDBHSA-N 1 2 336.439 2.750 40 0 EFABLO O=C(C1CCCC1)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257268728 244370351 /nfs/dbraw/zinc/37/03/51/244370351.db2.gz MMXPSTKZWOLEAQ-OAHLLOKOSA-N 1 2 325.416 2.559 40 0 EFABLO Cc1noc(C)c1-c1cccc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257269682 244372862 /nfs/dbraw/zinc/37/28/62/244372862.db2.gz MQYAKROZJDQMKJ-INIZCTEOSA-N 1 2 339.399 2.650 40 0 EFABLO Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)c(=O)[nH]c1C ZINC000257264825 244357249 /nfs/dbraw/zinc/35/72/49/244357249.db2.gz LWDIQJCDCVYTCU-OAHLLOKOSA-N 1 2 340.427 2.540 40 0 EFABLO c1nc(C[N@H+]2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)cs1 ZINC000257265002 244357735 /nfs/dbraw/zinc/35/77/35/244357735.db2.gz LWWQTPPNFCDVDY-AWEZNQCLSA-N 1 2 328.441 2.711 40 0 EFABLO c1nc(C[N@@H+]2CCOC[C@@H](Cc3ccc4n[nH]cc4c3)C2)cs1 ZINC000257265002 244357739 /nfs/dbraw/zinc/35/77/39/244357739.db2.gz LWWQTPPNFCDVDY-AWEZNQCLSA-N 1 2 328.441 2.711 40 0 EFABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2ocnc2C)cc1 ZINC000257276886 244393738 /nfs/dbraw/zinc/39/37/38/244393738.db2.gz NVNJPBXZHLLJPQ-OAHLLOKOSA-N 1 2 338.367 2.585 40 0 EFABLO Cc1cc(C)n(CCCC(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)n1 ZINC000257276758 244395649 /nfs/dbraw/zinc/39/56/49/244395649.db2.gz NUZCTGPKJZJJFV-INIZCTEOSA-N 1 2 329.448 2.718 40 0 EFABLO Fc1ccc(C[NH+]2CC3(C2)CO[C@H](Cc2cncnc2)C3)cc1F ZINC000257311443 244493742 /nfs/dbraw/zinc/49/37/42/244493742.db2.gz UJMDJJKWGTVWQN-OAHLLOKOSA-N 1 2 331.366 2.588 40 0 EFABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc(O)cc1)C2 ZINC000019334445 212016108 /nfs/dbraw/zinc/01/61/08/212016108.db2.gz QIWSMHSDQHNNGU-UHFFFAOYSA-N 1 2 334.379 2.508 40 0 EFABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc(O)cc1)C2 ZINC000019334445 212016111 /nfs/dbraw/zinc/01/61/11/212016111.db2.gz QIWSMHSDQHNNGU-UHFFFAOYSA-N 1 2 334.379 2.508 40 0 EFABLO COc1ccc(C(=O)C[NH+]2CCC(c3nnc(C)s3)CC2)cc1 ZINC000049365796 214002549 /nfs/dbraw/zinc/00/25/49/214002549.db2.gz XMZQHOYIMUJVGV-UHFFFAOYSA-N 1 2 331.441 2.917 40 0 EFABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000019293902 212013073 /nfs/dbraw/zinc/01/30/73/212013073.db2.gz SIVNUNJISMJJFT-UHFFFAOYSA-N 1 2 336.370 2.529 40 0 EFABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000019293902 212013075 /nfs/dbraw/zinc/01/30/75/212013075.db2.gz SIVNUNJISMJJFT-UHFFFAOYSA-N 1 2 336.370 2.529 40 0 EFABLO Cc1ccc2nc3c(cc2c1)CN(CCC[NH+]1CCOCC1)C(=O)O3 ZINC000019221407 212005291 /nfs/dbraw/zinc/00/52/91/212005291.db2.gz ABPLKZHLIBPJMJ-UHFFFAOYSA-N 1 2 341.411 2.580 40 0 EFABLO C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCOCC1)c1nccs1 ZINC000078602697 217083646 /nfs/dbraw/zinc/08/36/46/217083646.db2.gz MWLTYQULZSXROA-ZDUSSCGKSA-N 1 2 346.456 2.858 40 0 EFABLO Cc1ncc(CN(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)s1 ZINC000078611408 217086651 /nfs/dbraw/zinc/08/66/51/217086651.db2.gz CEAPWWIEGWUQIP-QGZVFWFLSA-N 1 2 344.484 2.860 40 0 EFABLO Cc1ncc(CN(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)s1 ZINC000078611408 217086653 /nfs/dbraw/zinc/08/66/53/217086653.db2.gz CEAPWWIEGWUQIP-QGZVFWFLSA-N 1 2 344.484 2.860 40 0 EFABLO Cc1ccccc1-n1cc(C(=O)N[C@@H]2CCC[C@@H]2n2cc[nH+]c2)cn1 ZINC000078989923 217167605 /nfs/dbraw/zinc/16/76/05/217167605.db2.gz IEKRMCYTPHZITD-AEFFLSMTSA-N 1 2 335.411 2.901 40 0 EFABLO C[C@@H](c1nc(-c2cccnc2)no1)[N@H+](CCO)Cc1ccsc1 ZINC000079099899 217193229 /nfs/dbraw/zinc/19/32/29/217193229.db2.gz BSNNFTAOGWXLBF-LBPRGKRZSA-N 1 2 330.413 2.749 40 0 EFABLO C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+](CCO)Cc1ccsc1 ZINC000079099899 217193232 /nfs/dbraw/zinc/19/32/32/217193232.db2.gz BSNNFTAOGWXLBF-LBPRGKRZSA-N 1 2 330.413 2.749 40 0 EFABLO Cc1cc(OC(F)F)c(C(=O)NCCNc2cccc[nH+]2)s1 ZINC000079349703 217212870 /nfs/dbraw/zinc/21/28/70/217212870.db2.gz NQGTVRIMZQLDAK-UHFFFAOYSA-N 1 2 327.356 2.895 40 0 EFABLO C[NH+](C)[C@@H](CNC(=O)/C=C/c1ccncc1)c1c(F)cccc1F ZINC000079362535 217215934 /nfs/dbraw/zinc/21/59/34/217215934.db2.gz JPUXETNIGFVGJH-MOEXGYKKSA-N 1 2 331.366 2.792 40 0 EFABLO CC(C)(C)OC(=O)NC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000079439339 217224829 /nfs/dbraw/zinc/22/48/29/217224829.db2.gz CLPRMYJLADJXEJ-UHFFFAOYSA-N 1 2 333.436 2.544 40 0 EFABLO CC(C)(C)OC(=O)NC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000079439339 217224831 /nfs/dbraw/zinc/22/48/31/217224831.db2.gz CLPRMYJLADJXEJ-UHFFFAOYSA-N 1 2 333.436 2.544 40 0 EFABLO COC(=O)[C@@H](C)[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000079635172 217245452 /nfs/dbraw/zinc/24/54/52/217245452.db2.gz HXKZFDHWCYXDEJ-SUMWQHHRSA-N 1 2 337.379 2.615 40 0 EFABLO COc1cccc([C@@H](NC(=O)c2ccco2)c2[nH+]ccn2C)c1OC ZINC000012114969 211294342 /nfs/dbraw/zinc/29/43/42/211294342.db2.gz RQQMUXZTPDVSHX-OAHLLOKOSA-N 1 2 341.367 2.550 40 0 EFABLO COc1ccc2[nH+]c(N3CCC[C@H](N4CCNC4=O)C3)c(C)cc2c1 ZINC000091617119 218032488 /nfs/dbraw/zinc/03/24/88/218032488.db2.gz PPQGOTGMWRMSKH-HNNXBMFYSA-N 1 2 340.427 2.546 40 0 EFABLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)Nc1ccc(Cl)cc1Cl ZINC000091623209 218033074 /nfs/dbraw/zinc/03/30/74/218033074.db2.gz UBXQCZIWOHVYPO-LBPRGKRZSA-N 1 2 344.242 2.978 40 0 EFABLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)Nc1ccc(Cl)cc1Cl ZINC000091623209 218033077 /nfs/dbraw/zinc/03/30/77/218033077.db2.gz UBXQCZIWOHVYPO-LBPRGKRZSA-N 1 2 344.242 2.978 40 0 EFABLO COC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@@H](C)O1 ZINC000092013040 218104396 /nfs/dbraw/zinc/10/43/96/218104396.db2.gz BVPXKZBVKLUQQN-ACJLOTCBSA-N 1 2 344.386 2.650 40 0 EFABLO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@@H](C)O1 ZINC000092013040 218104401 /nfs/dbraw/zinc/10/44/01/218104401.db2.gz BVPXKZBVKLUQQN-ACJLOTCBSA-N 1 2 344.386 2.650 40 0 EFABLO CC(C)c1ncc(Cl)c(C(=O)N(C)Cc2ccc(N(C)C)[nH+]c2)n1 ZINC000095438376 218382303 /nfs/dbraw/zinc/38/23/03/218382303.db2.gz GGSQHGLAGDJINA-UHFFFAOYSA-N 1 2 347.850 2.987 40 0 EFABLO COc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1F ZINC000187137826 533002462 /nfs/dbraw/zinc/00/24/62/533002462.db2.gz VNUFAFAAVPSSOF-CYBMUJFWSA-N 1 2 330.363 2.630 40 0 EFABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccnc(F)c1 ZINC000096432932 218808714 /nfs/dbraw/zinc/80/87/14/218808714.db2.gz HVYRFCYTLPDLJB-UHFFFAOYSA-N 1 2 342.418 2.994 40 0 EFABLO O=C1[C@@H]([NH+]2CCOCC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000096494239 218871778 /nfs/dbraw/zinc/87/17/78/218871778.db2.gz XAAWBALISBXGBC-HNNXBMFYSA-N 1 2 342.361 2.529 40 0 EFABLO Fc1ccc(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)cc1 ZINC000004942000 210332327 /nfs/dbraw/zinc/33/23/27/210332327.db2.gz YUWGCOFKHBZZSZ-UHFFFAOYSA-N 1 2 328.395 2.955 40 0 EFABLO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)Nc1nccs1 ZINC000004861768 210305161 /nfs/dbraw/zinc/30/51/61/210305161.db2.gz IAAKHOGYMAPCEM-UHFFFAOYSA-N 1 2 341.440 2.838 40 0 EFABLO CCn1ccnc(N2CCC[C@@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)c1=O ZINC000097373507 219017522 /nfs/dbraw/zinc/01/75/22/219017522.db2.gz RFAARGBKPQVKCM-CQSZACIVSA-N 1 2 337.427 2.832 40 0 EFABLO Cc1cc(NC(=O)N2CCC(NC(=O)c3ccsc3)CC2)cc[nH+]1 ZINC000119541816 221343715 /nfs/dbraw/zinc/34/37/15/221343715.db2.gz ZRLWZPCKNAITTI-UHFFFAOYSA-N 1 2 344.440 2.878 40 0 EFABLO O=C(C[C@H]1COCCN1Cc1cn2ccccc2[nH+]1)c1cccs1 ZINC000119608981 221358843 /nfs/dbraw/zinc/35/88/43/221358843.db2.gz GBTBZRVFSGODSG-HNNXBMFYSA-N 1 2 341.436 2.870 40 0 EFABLO Cc1cccc(N2CC[NH+](CC(=O)N[C@@H](C)c3ccccc3)CC2)c1 ZINC000057331563 132199581 /nfs/dbraw/zinc/19/95/81/132199581.db2.gz ISFXYCDUDGLVRC-SFHVURJKSA-N 1 2 337.467 2.994 40 0 EFABLO COCCN1c2ccccc2[C@@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635186 292546091 /nfs/dbraw/zinc/54/60/91/292546091.db2.gz WDTZUDUHHBYCFM-NRFANRHFSA-N 1 2 347.418 2.550 40 0 EFABLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000096487352 544559306 /nfs/dbraw/zinc/55/93/06/544559306.db2.gz YUNVOJCDMSYTKT-APWZRJJASA-N 1 2 346.377 2.775 40 0 EFABLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000096487352 544559309 /nfs/dbraw/zinc/55/93/09/544559309.db2.gz YUNVOJCDMSYTKT-APWZRJJASA-N 1 2 346.377 2.775 40 0 EFABLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1Cc2ccccc2C1 ZINC000119350010 544577002 /nfs/dbraw/zinc/57/70/02/544577002.db2.gz RMKSRGVWFBVWMA-UHFFFAOYSA-N 1 2 338.411 2.774 40 0 EFABLO CCc1nc2ccccc2n1C1CC[NH+]([C@@H](C)c2nnnn2C)CC1 ZINC000189810307 276702413 /nfs/dbraw/zinc/70/24/13/276702413.db2.gz NXVZGBZKRVBWKT-ZDUSSCGKSA-N 1 2 339.447 2.520 40 0 EFABLO CC(C)N(C(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O)C(C)C ZINC000012142796 279286143 /nfs/dbraw/zinc/28/61/43/279286143.db2.gz IKPCDRZTQYYTFG-UHFFFAOYSA-N 1 2 342.443 2.724 40 0 EFABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc(F)cc1)C2 ZINC000096111906 290320737 /nfs/dbraw/zinc/32/07/37/290320737.db2.gz BRJRIMWWEXNBEV-RDJZCZTQSA-N 1 2 326.371 2.824 40 0 biogenic,in-vitro EFABLO CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096111906 290320740 /nfs/dbraw/zinc/32/07/40/290320740.db2.gz BRJRIMWWEXNBEV-RDJZCZTQSA-N 1 2 326.371 2.824 40 0 biogenic,in-vitro EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3c(c2)CCCC3)[nH+]1 ZINC000257227915 301023974 /nfs/dbraw/zinc/02/39/74/301023974.db2.gz FROAOHQAHABYBS-KRWDZBQOSA-N 1 2 325.412 2.811 40 0 EFABLO Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000096405477 302028019 /nfs/dbraw/zinc/02/80/19/302028019.db2.gz HOBKVEVZTHEEEL-AABGKKOBSA-N 1 2 342.483 2.812 40 0 EFABLO OC[C@@H]1CCCN(c2cc(N[C@@H]3CCCC(F)(F)C3)[nH+]cn2)C1 ZINC000330172167 311308070 /nfs/dbraw/zinc/30/80/70/311308070.db2.gz GDIXWYDDDJORFA-CHWSQXEVSA-N 1 2 326.391 2.675 40 0 EFABLO OC[C@@H]1CCCN(c2cc(N[C@@H]3CCCC(F)(F)C3)nc[nH+]2)C1 ZINC000330172167 311308072 /nfs/dbraw/zinc/30/80/72/311308072.db2.gz GDIXWYDDDJORFA-CHWSQXEVSA-N 1 2 326.391 2.675 40 0 EFABLO Cc1noc(CNC(=O)Nc2c[nH+]c(N3CCCC[C@@H]3C)c(C)c2)n1 ZINC000331425908 311376167 /nfs/dbraw/zinc/37/61/67/311376167.db2.gz IPLDOXSZYYTGJN-LBPRGKRZSA-N 1 2 344.419 2.782 40 0 EFABLO Cc1cc(C)n(Cc2cccc(-c3noc(Cn4cc[nH+]c4)n3)c2)n1 ZINC000097101342 323213892 /nfs/dbraw/zinc/21/38/92/323213892.db2.gz HUBQHTBZNPUPBB-UHFFFAOYSA-N 1 2 334.383 2.843 40 0 EFABLO c1snnc1CN1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000097376881 323214826 /nfs/dbraw/zinc/21/48/26/323214826.db2.gz FUVRHEDNLIYBOP-UHFFFAOYSA-N 1 2 325.441 2.536 40 0 EFABLO CC(C)(C)OC(=O)N1CC(N[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000127563048 323217540 /nfs/dbraw/zinc/21/75/40/323217540.db2.gz VSZZQGLLQZIRAO-OAHLLOKOSA-N 1 2 328.416 2.708 40 0 EFABLO CC(C)(C)OC(=O)N1CC([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000127563048 323217544 /nfs/dbraw/zinc/21/75/44/323217544.db2.gz VSZZQGLLQZIRAO-OAHLLOKOSA-N 1 2 328.416 2.708 40 0 EFABLO Cc1ccc(CNc2ccccc2C(=O)N2CCC[C@H](O)C2)c(C)[nH+]1 ZINC000187720886 323425875 /nfs/dbraw/zinc/42/58/75/323425875.db2.gz KQBDAZXCJIXKFO-KRWDZBQOSA-N 1 2 339.439 2.907 40 0 EFABLO O=C(NCc1cc[nH+]c(N2CCOCC2)c1)N(C1CC1)C1CCCC1 ZINC000195532968 323529305 /nfs/dbraw/zinc/52/93/05/323529305.db2.gz ZUASVGFCMWEIQT-UHFFFAOYSA-N 1 2 344.459 2.535 40 0 EFABLO c1cn(Cc2nc(-c3ccc(OCc4cccnc4)cc3)no2)c[nH+]1 ZINC000195569966 323530150 /nfs/dbraw/zinc/53/01/50/323530150.db2.gz ZUTFQOHVFWJEOL-UHFFFAOYSA-N 1 2 333.351 2.955 40 0 EFABLO COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2cc(C3CC3)[nH]n2)cc1 ZINC000636032750 451454463 /nfs/dbraw/zinc/45/44/63/451454463.db2.gz IOUVQSRLIQZGGD-MRXNPFEDSA-N 1 2 326.400 2.509 40 0 EFABLO COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2cc(C3CC3)[nH]n2)cc1 ZINC000636032750 451454475 /nfs/dbraw/zinc/45/44/75/451454475.db2.gz IOUVQSRLIQZGGD-MRXNPFEDSA-N 1 2 326.400 2.509 40 0 EFABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccoc2)cs1 ZINC000096041753 473262900 /nfs/dbraw/zinc/26/29/00/473262900.db2.gz JYXGDHDPDBFDAM-GVDBMIGSSA-N 1 2 334.441 2.993 40 0 EFABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccoc2)cs1 ZINC000096041753 473262906 /nfs/dbraw/zinc/26/29/06/473262906.db2.gz JYXGDHDPDBFDAM-GVDBMIGSSA-N 1 2 334.441 2.993 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096042303 473263031 /nfs/dbraw/zinc/26/30/31/473263031.db2.gz NZHLFQNARVIBFK-YESZJQIVSA-N 1 2 347.390 2.636 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC000096042303 473263037 /nfs/dbraw/zinc/26/30/37/473263037.db2.gz NZHLFQNARVIBFK-YESZJQIVSA-N 1 2 347.390 2.636 40 0 EFABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041740 473263114 /nfs/dbraw/zinc/26/31/14/473263114.db2.gz ACJNSVPNLVJRNJ-LZLYRXPVSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041740 473263119 /nfs/dbraw/zinc/26/31/19/473263119.db2.gz ACJNSVPNLVJRNJ-LZLYRXPVSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC000096042209 473263619 /nfs/dbraw/zinc/26/36/19/473263619.db2.gz YIKVGDIPJMIVJP-SLFFLAALSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC000096042209 473263625 /nfs/dbraw/zinc/26/36/25/473263625.db2.gz YIKVGDIPJMIVJP-SLFFLAALSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1ccsc1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CC2)C1 ZINC000096044930 473265700 /nfs/dbraw/zinc/26/57/00/473265700.db2.gz INELRVLCFVURON-AWEZNQCLSA-N 1 2 345.468 2.956 40 0 EFABLO CCOC[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2c1cnn2CC ZINC000096044627 473264577 /nfs/dbraw/zinc/26/45/77/473264577.db2.gz FYOSDQYRWCQLFI-OAHLLOKOSA-N 1 2 343.427 2.768 40 0 EFABLO CCOC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2c1cnn2CC ZINC000096044627 473264584 /nfs/dbraw/zinc/26/45/84/473264584.db2.gz FYOSDQYRWCQLFI-OAHLLOKOSA-N 1 2 343.427 2.768 40 0 EFABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3[C@H](COCC3CC3)C2)c(C)o1 ZINC000096044926 473265071 /nfs/dbraw/zinc/26/50/71/473265071.db2.gz WEDNTHOXOCZYBG-HNNXBMFYSA-N 1 2 343.427 2.796 40 0 EFABLO c1[nH+]c2c(n1CC1CC1)[C@H](COCC1CC1)CN(c1ccncn1)C2 ZINC000096045156 473266530 /nfs/dbraw/zinc/26/65/30/473266530.db2.gz PFMMOUDLILJUPH-INIZCTEOSA-N 1 2 339.443 2.614 40 0 EFABLO c1csc(C[N@@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000096048244 473271706 /nfs/dbraw/zinc/27/17/06/473271706.db2.gz QUIBTXVEQYJSMR-NVXWUHKLSA-N 1 2 331.441 2.741 40 0 EFABLO c1csc(C[N@H+]2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000096048244 473271710 /nfs/dbraw/zinc/27/17/10/473271710.db2.gz QUIBTXVEQYJSMR-NVXWUHKLSA-N 1 2 331.441 2.741 40 0 EFABLO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2nccs2)n1 ZINC000096056635 473280918 /nfs/dbraw/zinc/28/09/18/473280918.db2.gz RVCQADHGPYRDNB-HZPDHXFCSA-N 1 2 342.468 2.612 40 0 EFABLO Cc1cccc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2nccs2)n1 ZINC000096056635 473280926 /nfs/dbraw/zinc/28/09/26/473280926.db2.gz RVCQADHGPYRDNB-HZPDHXFCSA-N 1 2 342.468 2.612 40 0 EFABLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccccn2)n1 ZINC000096065820 473286696 /nfs/dbraw/zinc/28/66/96/473286696.db2.gz DYZMSFKODDBXEE-XUVXKRRUSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccccn2)n1 ZINC000096065820 473286701 /nfs/dbraw/zinc/28/67/01/473286701.db2.gz DYZMSFKODDBXEE-XUVXKRRUSA-N 1 2 339.439 2.734 40 0 EFABLO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096107395 473299488 /nfs/dbraw/zinc/29/94/88/473299488.db2.gz OSVRZSCJRHAYCG-DYVFJYSZSA-N 1 2 349.431 2.880 40 0 EFABLO Fc1cccnc1O[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096107395 473299497 /nfs/dbraw/zinc/29/94/97/473299497.db2.gz OSVRZSCJRHAYCG-DYVFJYSZSA-N 1 2 349.431 2.880 40 0 EFABLO Fc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3F)nc2c1 ZINC000096112226 473305844 /nfs/dbraw/zinc/30/58/44/473305844.db2.gz RDWSULCRVRNWIH-PBHICJAKSA-N 1 2 344.365 2.836 40 0 biogenic,in-vitro EFABLO Fc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3F)nc2c1 ZINC000096112226 473305848 /nfs/dbraw/zinc/30/58/48/473305848.db2.gz RDWSULCRVRNWIH-PBHICJAKSA-N 1 2 344.365 2.836 40 0 biogenic,in-vitro EFABLO O=[S@](Cc1[nH+]ccn1CC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000083076111 473320441 /nfs/dbraw/zinc/32/04/41/473320441.db2.gz SSYYYLZUJANNGN-QFIPXVFZSA-N 1 2 328.319 2.630 40 0 EFABLO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@@H+](Cc1ccccn1)C2 ZINC000096189175 473331333 /nfs/dbraw/zinc/33/13/33/473331333.db2.gz WKMQWTYWGXUGLZ-KRWDZBQOSA-N 1 2 349.438 2.522 40 0 EFABLO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@H+](Cc1ccccn1)C2 ZINC000096189175 473331337 /nfs/dbraw/zinc/33/13/37/473331337.db2.gz WKMQWTYWGXUGLZ-KRWDZBQOSA-N 1 2 349.438 2.522 40 0 EFABLO Cc1nc(CN2CCN(C(=O)CC3CC3)Cc3ccc[nH+]c32)cs1 ZINC000096198960 473335117 /nfs/dbraw/zinc/33/51/17/473335117.db2.gz LEMFNUXAIXVBTB-UHFFFAOYSA-N 1 2 342.468 2.995 40 0 EFABLO O=C(N1CCCC1)N1CCN(Cc2cccnc2)c2[nH+]cccc2C1 ZINC000096198956 473336106 /nfs/dbraw/zinc/33/61/06/473336106.db2.gz HVZZIKZBVILNDN-UHFFFAOYSA-N 1 2 337.427 2.515 40 0 EFABLO O=C(c1ccsc1)N1CC[C@@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219079 473351034 /nfs/dbraw/zinc/35/10/34/473351034.db2.gz HQKFHBUBJDVWAV-WMLDXEAASA-N 1 2 329.425 2.629 40 0 EFABLO Cn1ccnc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1 ZINC000096239570 473361935 /nfs/dbraw/zinc/36/19/35/473361935.db2.gz SIZMNHONOCCQDD-QGZVFWFLSA-N 1 2 347.413 2.553 40 0 EFABLO Cn1ccnc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1 ZINC000096239570 473361941 /nfs/dbraw/zinc/36/19/41/473361941.db2.gz SIZMNHONOCCQDD-QGZVFWFLSA-N 1 2 347.413 2.553 40 0 EFABLO COc1cccc(-c2c[nH+]c3n2CCC32CCN(C(C)=O)CC2)c1 ZINC000096263420 473369967 /nfs/dbraw/zinc/36/99/67/473369967.db2.gz KQEAYSVRIUDQCY-UHFFFAOYSA-N 1 2 325.412 2.843 40 0 EFABLO COc1cc[nH+]cc1NC(=O)c1ccc(N2CCC(C)CC2)nc1 ZINC000096403547 473380210 /nfs/dbraw/zinc/38/02/10/473380210.db2.gz BYYJUJBMNOCUIN-UHFFFAOYSA-N 1 2 326.400 2.974 40 0 EFABLO COC(=O)C[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000096409814 473387970 /nfs/dbraw/zinc/38/79/70/473387970.db2.gz RCZIHDDDHDAUTR-SFHVURJKSA-N 1 2 349.390 2.907 40 0 EFABLO COCCc1noc(C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000096411367 473390477 /nfs/dbraw/zinc/39/04/77/473390477.db2.gz DRIHTYLUPXPMRH-CXAGYDPISA-N 1 2 333.457 2.937 40 0 EFABLO COCCc1noc(C[N@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)n1 ZINC000096411367 473390482 /nfs/dbraw/zinc/39/04/82/473390482.db2.gz DRIHTYLUPXPMRH-CXAGYDPISA-N 1 2 333.457 2.937 40 0 EFABLO Cc1noc([C@H](NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C(C)C)n1 ZINC000096412399 473391562 /nfs/dbraw/zinc/39/15/62/473391562.db2.gz UACZFWDHJRVLIU-CXAGYDPISA-N 1 2 342.443 2.638 40 0 EFABLO Cc1noc([C@H](NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C(C)C)n1 ZINC000096412399 473391566 /nfs/dbraw/zinc/39/15/66/473391566.db2.gz UACZFWDHJRVLIU-CXAGYDPISA-N 1 2 342.443 2.638 40 0 EFABLO CC(=O)Nc1ccc(OC[C@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000000818223 471376931 /nfs/dbraw/zinc/37/69/31/471376931.db2.gz GBJMHUMGDUPBMW-MRXNPFEDSA-N 1 2 339.395 2.743 40 0 EFABLO COc1ccc(C(=O)C2CC[NH+](CC(=O)NC3CCCC3)CC2)cc1 ZINC000014325216 471868388 /nfs/dbraw/zinc/86/83/88/471868388.db2.gz MFMVTMMKYRBQEF-UHFFFAOYSA-N 1 2 344.455 2.649 40 0 EFABLO C[C@H](C(=O)n1c2ccccc2c2ccccc21)[NH+]1CCN(C=O)CC1 ZINC000014608355 471875576 /nfs/dbraw/zinc/87/55/76/471875576.db2.gz OUNSJAQIFQDNQJ-OAHLLOKOSA-N 1 2 335.407 2.597 40 0 EFABLO O=c1[nH]c(SCc2ccccc2)nc(O)c1C[NH+]1CCCCC1 ZINC000016480876 471939672 /nfs/dbraw/zinc/93/96/72/471939672.db2.gz ZYNYLEAGMPUHHC-UHFFFAOYSA-N 1 2 331.441 2.754 40 0 EFABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](C[C@@H](C)c1ccccc1)CC3 ZINC000019130193 471977223 /nfs/dbraw/zinc/97/72/23/471977223.db2.gz KPBVFHYCMXZRFR-CQSZACIVSA-N 1 2 336.439 2.948 40 0 EFABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@@H+](C[C@@H](C)c1ccccc1)CC3 ZINC000019130193 471977227 /nfs/dbraw/zinc/97/72/27/471977227.db2.gz KPBVFHYCMXZRFR-CQSZACIVSA-N 1 2 336.439 2.948 40 0 EFABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000019240316 471978866 /nfs/dbraw/zinc/97/88/66/471978866.db2.gz RTDZBPHUSXJNOZ-UHFFFAOYSA-N 1 2 343.427 2.964 40 0 EFABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000019240316 471978871 /nfs/dbraw/zinc/97/88/71/471978871.db2.gz RTDZBPHUSXJNOZ-UHFFFAOYSA-N 1 2 343.427 2.964 40 0 EFABLO Cc1cccc(N2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CC2)c1 ZINC000028065409 472211988 /nfs/dbraw/zinc/21/19/88/472211988.db2.gz CCZPQUSNQIAROW-UHFFFAOYSA-N 1 2 347.422 2.538 40 0 EFABLO CCO[C@@H](C)c1nc(CN2CC[NH+](Cc3cccnc3)CC2)cs1 ZINC000075887563 472216746 /nfs/dbraw/zinc/21/67/46/472216746.db2.gz COZBCEHNQSTHGV-HNNXBMFYSA-N 1 2 346.500 2.953 40 0 EFABLO CCCn1nccc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000028246387 472218410 /nfs/dbraw/zinc/21/84/10/472218410.db2.gz CQWMQONMAFKBMF-UHFFFAOYSA-N 1 2 346.862 2.905 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 ZINC000029068097 472248228 /nfs/dbraw/zinc/24/82/28/472248228.db2.gz PXGOIPLLWMTCGL-QGZVFWFLSA-N 1 2 331.379 2.816 40 0 EFABLO COC[C@H]1CCCN(c2nc(N3CCC[C@H](COC)C3)c(C)c[nH+]2)C1 ZINC000085686850 472261980 /nfs/dbraw/zinc/26/19/80/472261980.db2.gz OGFXRFMOGSERDO-IRXDYDNUSA-N 1 2 348.491 2.511 40 0 EFABLO Cc1c(C(=O)N2CC[NH+](C)CC2)c(C(F)(F)F)nn1C1CCCC1 ZINC000044204030 472289325 /nfs/dbraw/zinc/28/93/25/472289325.db2.gz SVBGFYZLZLOMBJ-UHFFFAOYSA-N 1 2 344.381 2.713 40 0 EFABLO CSc1ccccc1C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000044225734 472291606 /nfs/dbraw/zinc/29/16/06/472291606.db2.gz YJHFEOUIGWDFED-UHFFFAOYSA-N 1 2 345.468 2.971 40 0 EFABLO c1c(CN2CCn3c(nnc3-c3ccccc3)C2)[nH+]c2ccccn12 ZINC000076183032 472293832 /nfs/dbraw/zinc/29/38/32/472293832.db2.gz MDOWZMCFSNITNV-UHFFFAOYSA-N 1 2 330.395 2.609 40 0 EFABLO COc1ccccc1[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1[nH+]ccn1C ZINC000044890367 472348339 /nfs/dbraw/zinc/34/83/39/472348339.db2.gz HYJMFJJQPGHKCN-OAHLLOKOSA-N 1 2 344.802 2.930 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2)on1 ZINC000044892081 472348665 /nfs/dbraw/zinc/34/86/65/472348665.db2.gz DEVLZYPBTAYECX-UHFFFAOYSA-N 1 2 338.205 2.816 40 0 EFABLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2)on1 ZINC000044892081 472348668 /nfs/dbraw/zinc/34/86/68/472348668.db2.gz DEVLZYPBTAYECX-UHFFFAOYSA-N 1 2 338.205 2.816 40 0 EFABLO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC(=O)NC1CCCC1 ZINC000031002489 472357959 /nfs/dbraw/zinc/35/79/59/472357959.db2.gz UZFNKXMELMWYKB-UHFFFAOYSA-N 1 2 331.460 2.704 40 0 EFABLO CCC[N@H+](CC(=O)Nc1ccccc1C)CC(=O)NC1CCCC1 ZINC000031002489 472357960 /nfs/dbraw/zinc/35/79/60/472357960.db2.gz UZFNKXMELMWYKB-UHFFFAOYSA-N 1 2 331.460 2.704 40 0 EFABLO COC(=O)c1oc([C@@H](C)[NH+]2CCN(Cc3cccnc3)CC2)cc1C ZINC000089268619 472403822 /nfs/dbraw/zinc/40/38/22/472403822.db2.gz BWZLTAXTEFOXHO-OAHLLOKOSA-N 1 2 343.427 2.648 40 0 EFABLO COC(=O)c1oc([C@@H](C)N2CC[NH+](Cc3cccnc3)CC2)cc1C ZINC000089268619 472403831 /nfs/dbraw/zinc/40/38/31/472403831.db2.gz BWZLTAXTEFOXHO-OAHLLOKOSA-N 1 2 343.427 2.648 40 0 EFABLO COc1ccccc1[C@@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045610774 472431880 /nfs/dbraw/zinc/43/18/80/472431880.db2.gz CPYVAQJNDFUFCW-CQSZACIVSA-N 1 2 338.411 2.946 40 0 EFABLO Cc1nc(N(C)C)sc1CN1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000097379108 472494872 /nfs/dbraw/zinc/49/48/72/472494872.db2.gz BSTWADWFLKQCST-OAHLLOKOSA-N 1 2 345.516 2.791 40 0 EFABLO CCCCOC(=O)c1cc(N)c(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000070462673 472498819 /nfs/dbraw/zinc/49/88/19/472498819.db2.gz UNFHLOQODLILKE-UHFFFAOYSA-N 1 2 325.840 2.631 40 0 EFABLO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccc2[nH]nnc2c1 ZINC000058154218 472507619 /nfs/dbraw/zinc/50/76/19/472507619.db2.gz YHAKEOHJKIFDMR-KRWDZBQOSA-N 1 2 349.438 2.742 40 0 EFABLO O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc2[nH]nnc2c1 ZINC000058154218 472507627 /nfs/dbraw/zinc/50/76/27/472507627.db2.gz YHAKEOHJKIFDMR-KRWDZBQOSA-N 1 2 349.438 2.742 40 0 EFABLO Cc1[nH+]c2ccccc2n1C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000058158562 472508747 /nfs/dbraw/zinc/50/87/47/472508747.db2.gz GCFGMCUZYDCDES-CYBMUJFWSA-N 1 2 326.352 2.513 40 0 EFABLO Cc1[nH+]c2ccccc2n1C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000058158561 472509083 /nfs/dbraw/zinc/50/90/83/472509083.db2.gz GCFGMCUZYDCDES-ZDUSSCGKSA-N 1 2 326.352 2.513 40 0 EFABLO O=S1(=O)CC[C@@H]([N@H+](Cc2cccc(Cl)c2)C[C@@H]2CCCO2)C1 ZINC000070980134 472531159 /nfs/dbraw/zinc/53/11/59/472531159.db2.gz CGEQIGIXRMOFJL-CVEARBPZSA-N 1 2 343.876 2.508 40 0 EFABLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cccc(Cl)c2)C[C@@H]2CCCO2)C1 ZINC000070980134 472531164 /nfs/dbraw/zinc/53/11/64/472531164.db2.gz CGEQIGIXRMOFJL-CVEARBPZSA-N 1 2 343.876 2.508 40 0 EFABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216229 472632878 /nfs/dbraw/zinc/63/28/78/472632878.db2.gz WCAVSWVXLLHQAC-GOSISDBHSA-N 1 2 337.423 2.896 40 0 EFABLO O=C(Nc1cnn(-c2ccccc2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000078031422 472653909 /nfs/dbraw/zinc/65/39/09/472653909.db2.gz UCMFNMFBQKTTCH-UHFFFAOYSA-N 1 2 348.410 2.621 40 0 EFABLO O=C1C[C@H]([N@@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(F)c(F)c1 ZINC000104346290 472668870 /nfs/dbraw/zinc/66/88/70/472668870.db2.gz QURLFWPDZQWSQX-KRWDZBQOSA-N 1 2 342.345 2.655 40 0 EFABLO O=C1C[C@H]([N@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(F)c(F)c1 ZINC000104346290 472668875 /nfs/dbraw/zinc/66/88/75/472668875.db2.gz QURLFWPDZQWSQX-KRWDZBQOSA-N 1 2 342.345 2.655 40 0 EFABLO CN(C)c1ccccc1C[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000072632529 472690746 /nfs/dbraw/zinc/69/07/46/472690746.db2.gz NTJDYEZZLVRCOF-OAHLLOKOSA-N 1 2 330.457 2.812 40 0 EFABLO CN(C)c1ccccc1C[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000072632529 472690752 /nfs/dbraw/zinc/69/07/52/472690752.db2.gz NTJDYEZZLVRCOF-OAHLLOKOSA-N 1 2 330.457 2.812 40 0 EFABLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156554287 472723432 /nfs/dbraw/zinc/72/34/32/472723432.db2.gz JXAMMBLCQASEFJ-VYDXJSESSA-N 1 2 337.431 2.503 40 0 EFABLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156554287 472723438 /nfs/dbraw/zinc/72/34/38/472723438.db2.gz JXAMMBLCQASEFJ-VYDXJSESSA-N 1 2 337.431 2.503 40 0 EFABLO C[C@@H](c1nnnn1-c1ccccc1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156554287 472723443 /nfs/dbraw/zinc/72/34/43/472723443.db2.gz JXAMMBLCQASEFJ-VYDXJSESSA-N 1 2 337.431 2.503 40 0 EFABLO Cc1cc(C)n(CC[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000062022054 472727640 /nfs/dbraw/zinc/72/76/40/472727640.db2.gz MFCVYZULECKHBE-UHFFFAOYSA-N 1 2 346.862 2.611 40 0 EFABLO Cc1noc(C2CC2)c1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156629265 472734304 /nfs/dbraw/zinc/73/43/04/472734304.db2.gz KYMILGBZBHRYJZ-MRXNPFEDSA-N 1 2 341.411 2.700 40 0 EFABLO Cc1noc(C2CC2)c1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156629265 472734309 /nfs/dbraw/zinc/73/43/09/472734309.db2.gz KYMILGBZBHRYJZ-MRXNPFEDSA-N 1 2 341.411 2.700 40 0 EFABLO C[C@@H]1C[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)O1 ZINC000048324189 472857384 /nfs/dbraw/zinc/85/73/84/472857384.db2.gz BNZXNVFPLKSHSH-RISCZKNCSA-N 1 2 328.334 2.531 40 0 EFABLO C[C@H]1C[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)O1 ZINC000048324191 472857517 /nfs/dbraw/zinc/85/75/17/472857517.db2.gz BNZXNVFPLKSHSH-FZMZJTMJSA-N 1 2 328.334 2.531 40 0 EFABLO O=c1c2ccccc2nnn1C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000048365764 472866801 /nfs/dbraw/zinc/86/68/01/472866801.db2.gz RVHZQDPHXNUCTB-IBGZPJMESA-N 1 2 332.407 2.901 40 0 EFABLO O=c1c2ccccc2nnn1C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000048365764 472866810 /nfs/dbraw/zinc/86/68/10/472866810.db2.gz RVHZQDPHXNUCTB-IBGZPJMESA-N 1 2 332.407 2.901 40 0 EFABLO c1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)nc1 ZINC000107257891 472936695 /nfs/dbraw/zinc/93/66/95/472936695.db2.gz KXWOZZLIBZCRKW-KBAYOESNSA-N 1 2 325.412 2.535 40 0 EFABLO c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)nc1 ZINC000107257891 472936703 /nfs/dbraw/zinc/93/67/03/472936703.db2.gz KXWOZZLIBZCRKW-KBAYOESNSA-N 1 2 325.412 2.535 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@H+](Cc3ccc[nH]3)[C@@H]2C1 ZINC000107798294 472982516 /nfs/dbraw/zinc/98/25/16/472982516.db2.gz QNTPPMVZQZGQPB-RHSMWYFYSA-N 1 2 329.831 2.553 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@@H+](Cc3ccc[nH]3)[C@@H]2C1 ZINC000107798294 472982524 /nfs/dbraw/zinc/98/25/24/472982524.db2.gz QNTPPMVZQZGQPB-RHSMWYFYSA-N 1 2 329.831 2.553 40 0 EFABLO O=C(Nc1cc(N2CCCC2)ncn1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000075166317 473144672 /nfs/dbraw/zinc/14/46/72/473144672.db2.gz XKMFYIKEHUNYFX-UHFFFAOYSA-N 1 2 348.410 2.574 40 0 EFABLO C[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000110694113 473171674 /nfs/dbraw/zinc/17/16/74/473171674.db2.gz XOTVNCOOXWSZMK-GOEBONIOSA-N 1 2 337.782 2.571 40 0 EFABLO C[N@H+]1CC[C@H](NC(=O)Cc2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000110694113 473171678 /nfs/dbraw/zinc/17/16/78/473171678.db2.gz XOTVNCOOXWSZMK-GOEBONIOSA-N 1 2 337.782 2.571 40 0 EFABLO C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2nccn2C)CC1 ZINC000096421328 473400364 /nfs/dbraw/zinc/40/03/64/473400364.db2.gz DJTNEDQJZVRQHK-ZDUSSCGKSA-N 1 2 332.835 2.593 40 0 EFABLO CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000096423552 473401358 /nfs/dbraw/zinc/40/13/58/473401358.db2.gz ADJZBNDINNEZLC-UHFFFAOYSA-N 1 2 348.834 2.951 40 0 EFABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)CCCc3cccs3)CC2)S1 ZINC000096426929 473406686 /nfs/dbraw/zinc/40/66/86/473406686.db2.gz HBLDEWFDYMEWLG-CYBMUJFWSA-N 1 2 337.514 2.706 40 0 EFABLO O=C(COc1cc(Cl)cc(Cl)c1)NCCCn1cc[nH+]c1 ZINC000096430446 473409152 /nfs/dbraw/zinc/40/91/52/473409152.db2.gz ATACQSOHPKSBRI-UHFFFAOYSA-N 1 2 328.199 2.775 40 0 EFABLO CCOc1c(F)cccc1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000096430572 473409780 /nfs/dbraw/zinc/40/97/80/473409780.db2.gz ATSNQLKIDLDENK-UHFFFAOYSA-N 1 2 340.358 2.735 40 0 EFABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1CCCOC1 ZINC000096432942 473411885 /nfs/dbraw/zinc/41/18/85/473411885.db2.gz PQJGRJIKBDEVDS-QGZVFWFLSA-N 1 2 331.460 2.573 40 0 EFABLO Cc1noc(Cl)c1CC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000096436767 473417149 /nfs/dbraw/zinc/41/71/49/473417149.db2.gz LTMCXZHAOJASGO-UHFFFAOYSA-N 1 2 344.802 2.955 40 0 EFABLO Cn1cc[nH+]c1CNC(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000096440549 473419158 /nfs/dbraw/zinc/41/91/58/473419158.db2.gz WTYQPMUSJNCENU-ZDUSSCGKSA-N 1 2 347.850 2.542 40 0 EFABLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000096441396 473419834 /nfs/dbraw/zinc/41/98/34/473419834.db2.gz JRUATXNEJSNXME-HNNXBMFYSA-N 1 2 346.406 2.612 40 0 EFABLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000096441396 473419840 /nfs/dbraw/zinc/41/98/40/473419840.db2.gz JRUATXNEJSNXME-HNNXBMFYSA-N 1 2 346.406 2.612 40 0 EFABLO CN(C)c1ccc(C(=O)NCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000096441040 473420057 /nfs/dbraw/zinc/42/00/57/473420057.db2.gz LEQLSJJRKYSKSI-UHFFFAOYSA-N 1 2 334.423 2.927 40 0 EFABLO Cn1cc[nH+]c1CNC(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000096446024 473423867 /nfs/dbraw/zinc/42/38/67/473423867.db2.gz SPESVMFBZYHQJK-UHFFFAOYSA-N 1 2 344.806 2.640 40 0 EFABLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N[C@H]1CCCSC1 ZINC000096452317 473428292 /nfs/dbraw/zinc/42/82/92/473428292.db2.gz OTSMHQARXFVUPF-INIZCTEOSA-N 1 2 344.484 2.669 40 0 EFABLO CC(C)(C)c1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)nn1 ZINC000096476196 473439641 /nfs/dbraw/zinc/43/96/41/473439641.db2.gz LMSCOKCIKMVDGH-UHFFFAOYSA-N 1 2 340.431 2.523 40 0 EFABLO Cc1cc(C)n(-c2ccc(NCc3[nH+]ccn3CC(C)C)nn2)n1 ZINC000096483037 473441646 /nfs/dbraw/zinc/44/16/46/473441646.db2.gz YPKHVLPWCCJTNH-UHFFFAOYSA-N 1 2 325.420 2.744 40 0 EFABLO COc1ccc([S@](=O)Cc2cn3c(cccc3C)[nH+]2)cc1OC ZINC000096485183 473443890 /nfs/dbraw/zinc/44/38/90/473443890.db2.gz YSTQNHLIIWHXPH-QHCPKHFHSA-N 1 2 330.409 2.968 40 0 EFABLO Cc1n[nH]c(C)c1NC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000096485503 473444174 /nfs/dbraw/zinc/44/41/74/473444174.db2.gz ZEYLSOOLIDJVMY-UHFFFAOYSA-N 1 2 329.404 2.503 40 0 EFABLO Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000096491716 473447157 /nfs/dbraw/zinc/44/71/57/473447157.db2.gz JCENEQDKWLHRNJ-OAHLLOKOSA-N 1 2 338.415 2.721 40 0 EFABLO c1ccc([C@H](CN2CCOCC2)[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000096490831 473447396 /nfs/dbraw/zinc/44/73/96/473447396.db2.gz QFGZGFIIPYKBMH-IBGZPJMESA-N 1 2 341.455 2.717 40 0 EFABLO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000096491715 473448216 /nfs/dbraw/zinc/44/82/16/473448216.db2.gz JCENEQDKWLHRNJ-HNNXBMFYSA-N 1 2 338.415 2.721 40 0 EFABLO CCc1cc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)[nH]n1 ZINC000096493003 473449006 /nfs/dbraw/zinc/44/90/06/473449006.db2.gz JFYBBYDCEPWUOO-UHFFFAOYSA-N 1 2 349.438 2.610 40 0 EFABLO COc1ccc(C2(C(=O)NCc3[nH]cc[nH+]3)CCCC2)cc1OC ZINC000096495067 473450412 /nfs/dbraw/zinc/45/04/12/473450412.db2.gz BGPCZGFNISQIAK-UHFFFAOYSA-N 1 2 329.400 2.555 40 0 EFABLO O=C(c1cccc(-n2cc[nH+]c2)n1)N1CCC[C@@H]1COc1ccccc1 ZINC000096501425 473454581 /nfs/dbraw/zinc/45/45/81/473454581.db2.gz JFLLUOHGDLHSNW-MRXNPFEDSA-N 1 2 348.406 2.951 40 0 EFABLO CCn1cc(CN2CCC[N@H+](Cc3cccc(OC)c3F)CC2)cn1 ZINC000192951188 473750698 /nfs/dbraw/zinc/75/06/98/473750698.db2.gz BKMIYJDXSFUXHO-UHFFFAOYSA-N 1 2 346.450 2.759 40 0 EFABLO CCn1cc(CN2CCC[N@@H+](Cc3cccc(OC)c3F)CC2)cn1 ZINC000192951188 473750706 /nfs/dbraw/zinc/75/07/06/473750706.db2.gz BKMIYJDXSFUXHO-UHFFFAOYSA-N 1 2 346.450 2.759 40 0 EFABLO OC[C@@H]1CCCN1c1cc(N[C@@H]2CCCc3sccc32)[nH+]cn1 ZINC000274290248 473774460 /nfs/dbraw/zinc/77/44/60/473774460.db2.gz YHAOKMGYBKYEQS-GXTWGEPZSA-N 1 2 330.457 2.989 40 0 EFABLO OC[C@@H]1CCCN1c1cc(N[C@@H]2CCCc3sccc32)nc[nH+]1 ZINC000274290248 473774466 /nfs/dbraw/zinc/77/44/66/473774466.db2.gz YHAOKMGYBKYEQS-GXTWGEPZSA-N 1 2 330.457 2.989 40 0 EFABLO COC(=O)c1c[nH]c(SCc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000194561329 473917820 /nfs/dbraw/zinc/91/78/20/473917820.db2.gz CMESYQZKEYSDTE-UHFFFAOYSA-N 1 2 328.397 2.983 40 0 EFABLO C[C@@H]1C[N@H+](CCSc2nnc(Cc3cccs3)o2)CCO1 ZINC000188309660 474054465 /nfs/dbraw/zinc/05/44/65/474054465.db2.gz LSBPUKBXPRCRJI-LLVKDONJSA-N 1 2 325.459 2.535 40 0 EFABLO C[C@@H]1C[N@@H+](CCSc2nnc(Cc3cccs3)o2)CCO1 ZINC000188309660 474054469 /nfs/dbraw/zinc/05/44/69/474054469.db2.gz LSBPUKBXPRCRJI-LLVKDONJSA-N 1 2 325.459 2.535 40 0 EFABLO C[C@@H]1C[N@H+](CCSc2nnc(Cc3ccccc3F)o2)CCO1 ZINC000188311767 474055158 /nfs/dbraw/zinc/05/51/58/474055158.db2.gz LRGVWJZPBDZPNK-GFCCVEGCSA-N 1 2 337.420 2.612 40 0 EFABLO C[C@@H]1C[N@@H+](CCSc2nnc(Cc3ccccc3F)o2)CCO1 ZINC000188311767 474055164 /nfs/dbraw/zinc/05/51/64/474055164.db2.gz LRGVWJZPBDZPNK-GFCCVEGCSA-N 1 2 337.420 2.612 40 0 EFABLO O=C(c1cncc(F)c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282460407 474075226 /nfs/dbraw/zinc/07/52/26/474075226.db2.gz WBGQLZFLRODBQE-CYBMUJFWSA-N 1 2 328.391 2.773 40 0 EFABLO CS(=O)(=O)CC[NH2+][C@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000195557226 474095077 /nfs/dbraw/zinc/09/50/77/474095077.db2.gz LXGGYHQHRQTVKU-LJQANCHMSA-N 1 2 340.448 2.958 40 0 EFABLO Fc1cccnc1OCC[C@H]1CCOC12C[NH+](Cc1cccnc1)C2 ZINC000247525316 474172852 /nfs/dbraw/zinc/17/28/52/474172852.db2.gz MWWKTUSLZQNYHH-INIZCTEOSA-N 1 2 343.402 2.676 40 0 EFABLO Fc1cccnc1OCC[C@@H]1CCOC12C[NH+](Cc1cccnc1)C2 ZINC000247525329 474172934 /nfs/dbraw/zinc/17/29/34/474172934.db2.gz MWWKTUSLZQNYHH-MRXNPFEDSA-N 1 2 343.402 2.676 40 0 EFABLO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000222926458 474177214 /nfs/dbraw/zinc/17/72/14/474177214.db2.gz SMDXPGWWPGHHSU-GOSISDBHSA-N 1 2 348.487 2.590 40 0 EFABLO c1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)ccn1 ZINC000247828420 474213814 /nfs/dbraw/zinc/21/38/14/474213814.db2.gz GULRYWLFTRBJFK-IBGZPJMESA-N 1 2 346.471 2.506 40 0 EFABLO CC(C)Oc1ncccc1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000225462678 474214693 /nfs/dbraw/zinc/21/46/93/474214693.db2.gz MGKBMLFGAFTCSN-UHFFFAOYSA-N 1 2 328.416 2.674 40 0 EFABLO c1cncc(OCC[C@@H]2CCOC23C[NH+](Cc2ccncc2)C3)c1 ZINC000247859856 474216998 /nfs/dbraw/zinc/21/69/98/474216998.db2.gz ZGLWLAXZUIBEJZ-QGZVFWFLSA-N 1 2 325.412 2.537 40 0 EFABLO O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000225511436 474219919 /nfs/dbraw/zinc/21/99/19/474219919.db2.gz YTQLHRDYOXHOQO-SNVBAGLBSA-N 1 2 339.317 2.730 40 0 EFABLO O=C(NCc1ccccc1OC(F)(F)F)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000225511436 474219926 /nfs/dbraw/zinc/21/99/26/474219926.db2.gz YTQLHRDYOXHOQO-SNVBAGLBSA-N 1 2 339.317 2.730 40 0 EFABLO COC[C@@H]1CN(C(=O)c2cc3ccccc3s2)Cc2c[nH+]cn21 ZINC000247881806 474220256 /nfs/dbraw/zinc/22/02/56/474220256.db2.gz QDAZSPDEWJGGLY-AWEZNQCLSA-N 1 2 327.409 2.941 40 0 EFABLO Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000225522601 474221307 /nfs/dbraw/zinc/22/13/07/474221307.db2.gz LRGGKSLNPZNJMS-MRXNPFEDSA-N 1 2 336.439 2.903 40 0 EFABLO Cc1cc2ccccc2n1CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000225522601 474221311 /nfs/dbraw/zinc/22/13/11/474221311.db2.gz LRGGKSLNPZNJMS-MRXNPFEDSA-N 1 2 336.439 2.903 40 0 EFABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCc2ccncc2)CS3)no1 ZINC000247889229 474222417 /nfs/dbraw/zinc/22/24/17/474222417.db2.gz FIGOJEHLLKSPNT-MRXNPFEDSA-N 1 2 331.441 2.655 40 0 EFABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCc2ccncc2)CS3)no1 ZINC000247889226 474222729 /nfs/dbraw/zinc/22/27/29/474222729.db2.gz FIGOJEHLLKSPNT-INIZCTEOSA-N 1 2 331.441 2.655 40 0 EFABLO Cc1nc(C(=O)N2CC[N@@H+](Cc3cccnc3)C[C@@H]2C)c(C)s1 ZINC000225547644 474223481 /nfs/dbraw/zinc/22/34/81/474223481.db2.gz OIOLBIQQTRTYRK-LBPRGKRZSA-N 1 2 330.457 2.501 40 0 EFABLO Cc1nc(C(=O)N2CC[N@H+](Cc3cccnc3)C[C@@H]2C)c(C)s1 ZINC000225547644 474223486 /nfs/dbraw/zinc/22/34/86/474223486.db2.gz OIOLBIQQTRTYRK-LBPRGKRZSA-N 1 2 330.457 2.501 40 0 EFABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)no1 ZINC000247925828 474226507 /nfs/dbraw/zinc/22/65/07/474226507.db2.gz PEQGGZMRCSLKPX-MRXNPFEDSA-N 1 2 331.441 2.655 40 0 EFABLO O=C(c1ccccc1)N1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000247938259 474227687 /nfs/dbraw/zinc/22/76/87/474227687.db2.gz OOEFGWFAIHBYSB-QGZVFWFLSA-N 1 2 337.423 2.815 40 0 EFABLO O=C1CCCN1c1cccc(CNC(=S)Nc2cc[nH+]cc2)c1 ZINC000225647667 474231809 /nfs/dbraw/zinc/23/18/09/474231809.db2.gz BSKHINSJNORBMQ-UHFFFAOYSA-N 1 2 326.425 2.695 40 0 EFABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCc2cccc(C)n2)CS3)no1 ZINC000247954441 474232158 /nfs/dbraw/zinc/23/21/58/474232158.db2.gz ZMTUYMWOWJSWPW-QGZVFWFLSA-N 1 2 345.468 2.963 40 0 EFABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2cnccn2)CCO3)s1 ZINC000248076025 474258077 /nfs/dbraw/zinc/25/80/77/474258077.db2.gz HLDKUWFFPDAWIS-CQSZACIVSA-N 1 2 331.441 2.659 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@H](CNc3ccccn3)C2)o1 ZINC000248105714 474260926 /nfs/dbraw/zinc/26/09/26/474260926.db2.gz PBGAIJSFZGRZBQ-MRXNPFEDSA-N 1 2 337.427 2.924 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@H](CNc3ccccn3)C2)o1 ZINC000248105714 474260931 /nfs/dbraw/zinc/26/09/31/474260931.db2.gz PBGAIJSFZGRZBQ-MRXNPFEDSA-N 1 2 337.427 2.924 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](CNC(=O)c4ccco4)CC[C@H]32)o1 ZINC000248115908 474261161 /nfs/dbraw/zinc/26/11/61/474261161.db2.gz SJHIGZIRBYYGOT-QGPMSJSTSA-N 1 2 344.411 2.590 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](CNC(=O)c4ccco4)CC[C@H]32)o1 ZINC000248115908 474261165 /nfs/dbraw/zinc/26/11/65/474261165.db2.gz SJHIGZIRBYYGOT-QGPMSJSTSA-N 1 2 344.411 2.590 40 0 EFABLO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3COc2ncccc2F)o1 ZINC000248128648 474264610 /nfs/dbraw/zinc/26/46/10/474264610.db2.gz XSLKCOGUHPKIHD-AWEZNQCLSA-N 1 2 332.375 2.792 40 0 EFABLO C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184475418 474522249 /nfs/dbraw/zinc/52/22/49/474522249.db2.gz DJQZVKKRMMHTOC-YPMHNXCESA-N 1 2 347.488 2.630 40 0 EFABLO COc1cc(OC)cc(C(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC000244933216 474569226 /nfs/dbraw/zinc/56/92/26/474569226.db2.gz CHRIUFGONICDSQ-UHFFFAOYSA-N 1 2 342.395 2.782 40 0 EFABLO O=C([C@@H]1OCCc2ccccc21)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000244969152 474570163 /nfs/dbraw/zinc/57/01/63/474570163.db2.gz HBDUTDJVDPABDT-LJQANCHMSA-N 1 2 338.407 2.765 40 0 EFABLO Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000245305016 474573346 /nfs/dbraw/zinc/57/33/46/474573346.db2.gz HOBKVEVZTHEEEL-SLFFLAALSA-N 1 2 342.483 2.812 40 0 EFABLO CCn1cc[nH+]c1[C@@H](NC(=O)Nc1nccs1)C1CCOCC1 ZINC000284395501 474632976 /nfs/dbraw/zinc/63/29/76/474632976.db2.gz AKWPPAFKFNBQDS-LBPRGKRZSA-N 1 2 335.433 2.649 40 0 EFABLO COc1ccc(C(=O)N2CCC(Oc3cc[nH+]cc3)CC2)cc1F ZINC000252508400 474685326 /nfs/dbraw/zinc/68/53/26/474685326.db2.gz XMUGYVJQXBADHD-UHFFFAOYSA-N 1 2 330.359 2.913 40 0 EFABLO CS[C@@H]1CC[C@H](NC(=O)N2CC[NH+]([C@H](C)c3ccccn3)CC2)C1 ZINC000252585390 474699782 /nfs/dbraw/zinc/69/97/82/474699782.db2.gz IFYCCWPZGQRZMG-OWCLPIDISA-N 1 2 348.516 2.754 40 0 EFABLO O=C(Cc1ccc(F)cc1)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000253401129 474736823 /nfs/dbraw/zinc/73/68/23/474736823.db2.gz MNEOYIGDXVEAEF-INIZCTEOSA-N 1 2 348.443 2.868 40 0 EFABLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1Cc2ccccc2O1 ZINC000253416971 474742720 /nfs/dbraw/zinc/74/27/20/474742720.db2.gz APFWWOXPVIRKHY-IBGZPJMESA-N 1 2 349.390 2.904 40 0 EFABLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nnc(C)s3)ccc2NC1=O ZINC000253417730 474745008 /nfs/dbraw/zinc/74/50/08/474745008.db2.gz ALQBMHDFMNTWEI-ZANVPECISA-N 1 2 332.429 2.807 40 0 EFABLO CC(C)(C)c1cnc(C[NH+]2CCC(N3CCCNC3=O)CC2)s1 ZINC000253429817 474754066 /nfs/dbraw/zinc/75/40/66/474754066.db2.gz UVQJVQFPNCCDPO-UHFFFAOYSA-N 1 2 336.505 2.820 40 0 EFABLO Cc1cc(C(=O)N2CC[C@@H]3CCN(c4cccc[nH+]4)[C@H]3CC2)no1 ZINC000306126997 474807396 /nfs/dbraw/zinc/80/73/96/474807396.db2.gz FLFGNMVWHJCMTB-ZBFHGGJFSA-N 1 2 326.400 2.509 40 0 EFABLO CCn1cc(C[N@H+]2Cc3cccn3C[C@@H](Oc3ccccn3)C2)cn1 ZINC000306131139 474809646 /nfs/dbraw/zinc/80/96/46/474809646.db2.gz JXRQIWUSPCARBD-SFHVURJKSA-N 1 2 337.427 2.563 40 0 EFABLO CCn1cc(C[N@@H+]2Cc3cccn3C[C@@H](Oc3ccccn3)C2)cn1 ZINC000306131139 474809656 /nfs/dbraw/zinc/80/96/56/474809656.db2.gz JXRQIWUSPCARBD-SFHVURJKSA-N 1 2 337.427 2.563 40 0 EFABLO Cc1cccc(C(=O)N2C[C@H]3OC[C@@H](CNc4cccc[nH+]4)[C@H]3C2)c1 ZINC000306142408 474812394 /nfs/dbraw/zinc/81/23/94/474812394.db2.gz WYUPATNHCZJEDF-KZNAEPCWSA-N 1 2 337.423 2.589 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc(C)nc3onc(C)c32)[nH+]1 ZINC000257199674 474924708 /nfs/dbraw/zinc/92/47/08/474924708.db2.gz AAKSCYZLVSKSRI-CYBMUJFWSA-N 1 2 325.372 2.848 40 0 EFABLO COc1ccccc1[C@H]1CN(C(C)=O)CC[N@@H+]1CCC(F)(F)F ZINC000257271326 474926852 /nfs/dbraw/zinc/92/68/52/474926852.db2.gz MXVPRZJVRVBIEU-CQSZACIVSA-N 1 2 330.350 2.853 40 0 EFABLO COc1ccccc1[C@H]1CN(C(C)=O)CC[N@H+]1CCC(F)(F)F ZINC000257271326 474926861 /nfs/dbraw/zinc/92/68/61/474926861.db2.gz MXVPRZJVRVBIEU-CQSZACIVSA-N 1 2 330.350 2.853 40 0 EFABLO CNc1ncccc1C[N@@H+]1CCC[C@@]1(C)c1nc(C)cc(N(C)C)n1 ZINC000257239330 474927347 /nfs/dbraw/zinc/92/73/47/474927347.db2.gz HOUNWPJMLYXOQZ-IBGZPJMESA-N 1 2 340.475 2.799 40 0 EFABLO CNc1ncccc1C[N@H+]1CCC[C@@]1(C)c1nc(C)cc(N(C)C)n1 ZINC000257239330 474927357 /nfs/dbraw/zinc/92/73/57/474927357.db2.gz HOUNWPJMLYXOQZ-IBGZPJMESA-N 1 2 340.475 2.799 40 0 EFABLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3cccc(NC)n3)C2)c1C ZINC000257287019 474932457 /nfs/dbraw/zinc/93/24/57/474932457.db2.gz POCVMUILUILXRT-KRWDZBQOSA-N 1 2 329.448 2.530 40 0 EFABLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3cccc(NC)n3)C2)c1C ZINC000257287019 474932469 /nfs/dbraw/zinc/93/24/69/474932469.db2.gz POCVMUILUILXRT-KRWDZBQOSA-N 1 2 329.448 2.530 40 0 EFABLO Cc1cc(=O)[nH]c([C@@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257288510 474934550 /nfs/dbraw/zinc/93/45/50/474934550.db2.gz PUKRXQKAFQMZOZ-KRWDZBQOSA-N 1 2 336.395 2.612 40 0 EFABLO Cc1cc(=O)[nH]c([C@@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257288510 474934557 /nfs/dbraw/zinc/93/45/57/474934557.db2.gz PUKRXQKAFQMZOZ-KRWDZBQOSA-N 1 2 336.395 2.612 40 0 EFABLO COc1cccc([C@@H]2Cn3ccnc3C[N@@H+]2CC2CCOCC2)c1 ZINC000257293745 474935929 /nfs/dbraw/zinc/93/59/29/474935929.db2.gz QQZMOWDYXVPCTL-SFHVURJKSA-N 1 2 327.428 2.875 40 0 EFABLO COc1cccc([C@@H]2Cn3ccnc3C[N@H+]2CC2CCOCC2)c1 ZINC000257293745 474935934 /nfs/dbraw/zinc/93/59/34/474935934.db2.gz QQZMOWDYXVPCTL-SFHVURJKSA-N 1 2 327.428 2.875 40 0 EFABLO COc1ccc(OCC(=O)N2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257300412 474939937 /nfs/dbraw/zinc/93/99/37/474939937.db2.gz RUEAGUHTZWVKEH-AWEZNQCLSA-N 1 2 329.400 2.512 40 0 EFABLO Fc1ccc(C[NH+]2CC3(C2)CO[C@@H](Cc2cncnc2)C3)cc1F ZINC000257311442 474947171 /nfs/dbraw/zinc/94/71/71/474947171.db2.gz UJMDJJKWGTVWQN-HNNXBMFYSA-N 1 2 331.366 2.588 40 0 EFABLO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCC[N@@H+]2Cc2cnccn2)n1 ZINC000257316325 474949912 /nfs/dbraw/zinc/94/99/12/474949912.db2.gz VFBXSENGQJAWLD-QGZVFWFLSA-N 1 2 335.415 2.692 40 0 EFABLO Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCC[N@H+]2Cc2cnccn2)n1 ZINC000257316325 474949920 /nfs/dbraw/zinc/94/99/20/474949920.db2.gz VFBXSENGQJAWLD-QGZVFWFLSA-N 1 2 335.415 2.692 40 0 EFABLO COc1ccc(C)cc1CC(=O)N1CCC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257320318 474950820 /nfs/dbraw/zinc/95/08/20/474950820.db2.gz VWFWYYXIUXKWBR-HNNXBMFYSA-N 1 2 327.428 2.984 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc[nH+]1 ZINC000257320792 474951054 /nfs/dbraw/zinc/95/10/54/474951054.db2.gz VYRKENPMRBUBFL-CQSZACIVSA-N 1 2 325.368 2.829 40 0 EFABLO Cc1nc(N2CCC[C@@H](c3cn4cccc4c(N(C)C)n3)C2)cc[nH+]1 ZINC000257319340 474951829 /nfs/dbraw/zinc/95/18/29/474951829.db2.gz VRYMVSQJICNSTF-OAHLLOKOSA-N 1 2 336.443 2.883 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCn3ncc4ccccc43)C2)[nH+]1 ZINC000257333733 474960106 /nfs/dbraw/zinc/96/01/06/474960106.db2.gz YCVUNIYLZLKUKZ-INIZCTEOSA-N 1 2 337.427 2.864 40 0 EFABLO Cc1nc(C[N@H+]2CCOC[C@@H](Cc3ccc4c(ccn4C)c3)C2)no1 ZINC000257343113 474965801 /nfs/dbraw/zinc/96/58/01/474965801.db2.gz ZRNFVMOPRQYOLK-INIZCTEOSA-N 1 2 340.427 2.561 40 0 EFABLO Cc1nc(C[N@@H+]2CCOC[C@@H](Cc3ccc4c(ccn4C)c3)C2)no1 ZINC000257343113 474965807 /nfs/dbraw/zinc/96/58/07/474965807.db2.gz ZRNFVMOPRQYOLK-INIZCTEOSA-N 1 2 340.427 2.561 40 0 EFABLO C[C@H](O)[C@@H]1CCN(c2cc(N3Cc4ccc(Cl)cc4C3)nc[nH+]2)C1 ZINC000334136619 476122396 /nfs/dbraw/zinc/12/23/96/476122396.db2.gz YWYNIQSPVMFKKC-QWHCGFSZSA-N 1 2 344.846 2.857 40 0 EFABLO C[C@H](O)[C@@H]1CCN(c2cc(N3Cc4ccc(Cl)cc4C3)[nH+]cn2)C1 ZINC000334136619 476122401 /nfs/dbraw/zinc/12/24/01/476122401.db2.gz YWYNIQSPVMFKKC-QWHCGFSZSA-N 1 2 344.846 2.857 40 0 EFABLO Fc1ccc2ccc(NCc3ccc[nH+]c3N3CCOCC3)nc2c1 ZINC000360227031 476295161 /nfs/dbraw/zinc/29/51/61/476295161.db2.gz ZYRXFUIKZQZWRK-UHFFFAOYSA-N 1 2 338.386 3.218 40 0 EFABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](C(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288879 479020581 /nfs/dbraw/zinc/02/05/81/479020581.db2.gz KZYOLJGTALSQES-KBPBESRZSA-N 1 2 345.443 2.935 40 0 biogenic,in-vitro EFABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](C(C)C)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288879 479020587 /nfs/dbraw/zinc/02/05/87/479020587.db2.gz KZYOLJGTALSQES-KBPBESRZSA-N 1 2 345.443 2.935 40 0 biogenic,in-vitro EFABLO Cc1cc(CN2CCn3c(CCOCC4CCC4)c[nH+]c3[C@H]2C)[nH]n1 ZINC000585096994 479280694 /nfs/dbraw/zinc/28/06/94/479280694.db2.gz DIIQLFIHIRCILT-OAHLLOKOSA-N 1 2 343.475 2.851 40 0 EFABLO Cc1occc1C(=O)N1CCn2c(CCOCC3CC3)c[nH+]c2[C@@H]1C ZINC000585097302 479280868 /nfs/dbraw/zinc/28/08/68/479280868.db2.gz IFKGXCFIQOMSLM-ZDUSSCGKSA-N 1 2 343.427 2.971 40 0 EFABLO Cc1cccnc1C[N@@H+]1Cc2ccnn2CC[C@H]1COCC1CC1 ZINC000585097034 479280963 /nfs/dbraw/zinc/28/09/63/479280963.db2.gz GSSDYJQQNJPODE-SFHVURJKSA-N 1 2 326.444 2.788 40 0 EFABLO Cc1cccnc1C[N@H+]1Cc2ccnn2CC[C@H]1COCC1CC1 ZINC000585097034 479280967 /nfs/dbraw/zinc/28/09/67/479280967.db2.gz GSSDYJQQNJPODE-SFHVURJKSA-N 1 2 326.444 2.788 40 0 EFABLO C[C@@H]1c2[nH+]cc(CCOCC3CCCC3)n2CCN1Cc1cn[nH]c1 ZINC000585097928 479281093 /nfs/dbraw/zinc/28/10/93/479281093.db2.gz PJNOCYALHLDKMW-OAHLLOKOSA-N 1 2 343.475 2.932 40 0 EFABLO C[C@@H]1c2ncc(CCOCC3CCCC3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097928 479281097 /nfs/dbraw/zinc/28/10/97/479281097.db2.gz PJNOCYALHLDKMW-OAHLLOKOSA-N 1 2 343.475 2.932 40 0 EFABLO C[C@@H]1c2ncc(CCOCC3CCCC3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097928 479281107 /nfs/dbraw/zinc/28/11/07/479281107.db2.gz PJNOCYALHLDKMW-OAHLLOKOSA-N 1 2 343.475 2.932 40 0 EFABLO COCCc1c[nH+]c2n1CCN(C(=O)Cc1ccccc1C)[C@H]2C ZINC000585097333 479281129 /nfs/dbraw/zinc/28/11/29/479281129.db2.gz IVPUSZLIYQPNGL-HNNXBMFYSA-N 1 2 327.428 2.526 40 0 EFABLO Fc1cccnc1OC[C@H]1CCn2nccc2C[N@@H+]1Cc1ccco1 ZINC000585098545 479282399 /nfs/dbraw/zinc/28/23/99/479282399.db2.gz ZHCPJCHTCYVFLK-OAHLLOKOSA-N 1 2 342.374 2.864 40 0 EFABLO Fc1cccnc1OC[C@H]1CCn2nccc2C[N@H+]1Cc1ccco1 ZINC000585098545 479282405 /nfs/dbraw/zinc/28/24/05/479282405.db2.gz ZHCPJCHTCYVFLK-OAHLLOKOSA-N 1 2 342.374 2.864 40 0 EFABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCc2cccnc2)CS3)no1 ZINC000585105205 479286041 /nfs/dbraw/zinc/28/60/41/479286041.db2.gz QBTRGQYSBRUZPZ-MRXNPFEDSA-N 1 2 331.441 2.655 40 0 EFABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)[C@H]1C[C@@H]1C)CC2 ZINC000585111199 479287573 /nfs/dbraw/zinc/28/75/73/479287573.db2.gz ISHHBEYVDBUAOP-YOEHRIQHSA-N 1 2 339.439 2.737 40 0 EFABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2C[C@@H]2C)CC3)cc1 ZINC000585111084 479287996 /nfs/dbraw/zinc/28/79/96/479287996.db2.gz CWKDXZWDCNNVIH-BBRMVZONSA-N 1 2 325.412 2.599 40 0 EFABLO Cc1c[nH]c(-c2ccc(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)cc2)[nH+]1 ZINC000585140636 479297918 /nfs/dbraw/zinc/29/79/18/479297918.db2.gz IDPSYLFOFNMTSA-CJNGLKHVSA-N 1 2 329.400 2.908 40 0 EFABLO Cn1c[nH+]cc1-c1cc(CC2CCN(c3ncccn3)CC2)ccn1 ZINC000585261136 479303829 /nfs/dbraw/zinc/30/38/29/479303829.db2.gz KMZKVWYWGKRKDA-UHFFFAOYSA-N 1 2 334.427 2.731 40 0 EFABLO CO[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1Cc1ccccc1 ZINC000585270801 479304008 /nfs/dbraw/zinc/30/40/08/479304008.db2.gz ATSFWEOVWNFDAK-MOPGFXCFSA-N 1 2 341.455 2.770 40 0 EFABLO CO[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)[C@H]1Cc1ccccc1 ZINC000585273509 479304742 /nfs/dbraw/zinc/30/47/42/479304742.db2.gz WGSYTXLFHRWVCO-OALUTQOASA-N 1 2 341.455 2.912 40 0 EFABLO COc1ccc(C(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000575604920 479448867 /nfs/dbraw/zinc/44/88/67/479448867.db2.gz HXRZVIHPGRUECP-HNNXBMFYSA-N 1 2 330.359 2.913 40 0 EFABLO COc1ccc(CNC(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000575611177 479453013 /nfs/dbraw/zinc/45/30/13/479453013.db2.gz BJOXILVKCIBVNC-GOSISDBHSA-N 1 2 341.411 2.843 40 0 EFABLO CS(=O)(=O)c1ccc(-c2ccc(NC[C@H]3CCCO3)[nH+]c2)cc1 ZINC000629728686 480374356 /nfs/dbraw/zinc/37/43/56/480374356.db2.gz CGCWOFLEAUBBHM-OAHLLOKOSA-N 1 2 332.425 2.743 40 0 EFABLO c1[nH]nc(-c2ccccc2)c1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000183665693 534462411 /nfs/dbraw/zinc/46/24/11/534462411.db2.gz CTASNNRRQRTWNK-UHFFFAOYSA-N 1 2 333.439 2.790 40 0 EFABLO CC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCCO1 ZINC000123515426 522453316 /nfs/dbraw/zinc/45/33/16/522453316.db2.gz VRQLQLJIFAMMOD-RDJZCZTQSA-N 1 2 346.406 2.768 40 0 EFABLO CC(C)(C)n1cc(C[NH+]2CCC(OC[C@@H]3CCCCO3)CC2)nn1 ZINC000191429207 526919235 /nfs/dbraw/zinc/91/92/35/526919235.db2.gz OGTGHBXLPPEPJE-KRWDZBQOSA-N 1 2 336.480 2.583 40 0 EFABLO COC(=O)c1cnoc1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000242339329 536841437 /nfs/dbraw/zinc/84/14/37/536841437.db2.gz ZGXZRPBDCLWWKN-NSHDSACASA-N 1 2 336.775 2.768 40 0 EFABLO COC(=O)c1cnoc1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000242339329 536841442 /nfs/dbraw/zinc/84/14/42/536841442.db2.gz ZGXZRPBDCLWWKN-NSHDSACASA-N 1 2 336.775 2.768 40 0 EFABLO COc1cccc2c(N3CCN(c4nccnc4C)CC3)cc[nH+]c12 ZINC000685039163 550128838 /nfs/dbraw/zinc/12/88/38/550128838.db2.gz YBTJJFXJKYEHAL-UHFFFAOYSA-N 1 2 335.411 2.668 40 0 EFABLO CCOC1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCC1 ZINC000252500324 564119759 /nfs/dbraw/zinc/11/97/59/564119759.db2.gz SSFZWUAVRLPDTR-UHFFFAOYSA-N 1 2 327.428 2.897 40 0 EFABLO C[C@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1occc1Br ZINC000903633658 1312976389 /nfs/dbraw/zinc/97/63/89/1312976389.db2.gz BDNDTWZZIMSABW-QMMMGPOBSA-N 1 2 343.202 2.577 40 0 EFABLO CC(=O)Nc1ccc(OC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000004454193 210193911 /nfs/dbraw/zinc/19/39/11/210193911.db2.gz GBJMHUMGDUPBMW-INIZCTEOSA-N 1 2 339.395 2.743 40 0 EFABLO Cc1c(-c2cccs2)nn2c1[nH]c(CCn1cc[nH+]c1)cc2=O ZINC000100775785 219106694 /nfs/dbraw/zinc/10/66/94/219106694.db2.gz CAEBQYOVIDXMMM-UHFFFAOYSA-N 1 2 325.397 2.911 40 0 EFABLO COc1cccc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)c1OC ZINC000040466674 213310222 /nfs/dbraw/zinc/31/02/22/213310222.db2.gz CFGGSSBPHGYKIH-UHFFFAOYSA-N 1 2 346.452 2.723 40 0 EFABLO Fc1cccc(C[NH+]2CC3(C2)CO[C@@H](Cc2cncnc2)C3)c1F ZINC000257267777 283013200 /nfs/dbraw/zinc/01/32/00/283013200.db2.gz MISHXGAHINHXHB-HNNXBMFYSA-N 1 2 331.366 2.588 40 0 EFABLO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000036090947 213061992 /nfs/dbraw/zinc/06/19/92/213061992.db2.gz YEWYGBLVDMQHDM-ZDUSSCGKSA-N 1 2 344.889 2.983 40 0 EFABLO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)cn1 ZINC000035425866 213027096 /nfs/dbraw/zinc/02/70/96/213027096.db2.gz GJHSYHXNEJAGIE-HNNXBMFYSA-N 1 2 337.383 2.872 40 0 biogenic,in-vitro EFABLO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)cn1 ZINC000035425866 213027100 /nfs/dbraw/zinc/02/71/00/213027100.db2.gz GJHSYHXNEJAGIE-HNNXBMFYSA-N 1 2 337.383 2.872 40 0 biogenic,in-vitro EFABLO Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072240509 216080049 /nfs/dbraw/zinc/08/00/49/216080049.db2.gz YSAXAJOIGICCNR-UHFFFAOYSA-N 1 2 345.418 2.708 40 0 EFABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@H+](Cc1cccs1)C2 ZINC000072335467 216157121 /nfs/dbraw/zinc/15/71/21/216157121.db2.gz ONVYEHCCQPRPCN-UHFFFAOYSA-N 1 2 330.457 2.792 40 0 EFABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000072335467 216157125 /nfs/dbraw/zinc/15/71/25/216157125.db2.gz ONVYEHCCQPRPCN-UHFFFAOYSA-N 1 2 330.457 2.792 40 0 EFABLO Fc1ccccc1N1CC[NH+](Cc2ccnc(-c3cccnc3)n2)CC1 ZINC000072343324 216159607 /nfs/dbraw/zinc/15/96/07/216159607.db2.gz QKDQITAADQPODO-UHFFFAOYSA-N 1 2 349.413 3.000 40 0 EFABLO O=C(c1ccccc1)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350520 216162911 /nfs/dbraw/zinc/16/29/11/216162911.db2.gz RLFMMOQDSNOMJG-INIZCTEOSA-N 1 2 333.395 2.682 40 0 EFABLO O=C(Cc1ccccc1)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355347 216164509 /nfs/dbraw/zinc/16/45/09/216164509.db2.gz WWYDZXLVEWRYSC-QGZVFWFLSA-N 1 2 347.422 2.611 40 0 EFABLO COCCNc1cc([C@H]2CC[N@@H+]2Cc2ccc(F)cc2)nc(C)n1 ZINC000072387578 216186952 /nfs/dbraw/zinc/18/69/52/216186952.db2.gz ODXHSNIIBZXDTO-QGZVFWFLSA-N 1 2 330.407 2.929 40 0 EFABLO COCCNc1cc([C@H]2CC[N@H+]2Cc2ccc(F)cc2)nc(C)n1 ZINC000072387578 216186954 /nfs/dbraw/zinc/18/69/54/216186954.db2.gz ODXHSNIIBZXDTO-QGZVFWFLSA-N 1 2 330.407 2.929 40 0 EFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)Nc1cnn(CC(F)F)c1 ZINC000072546292 216271066 /nfs/dbraw/zinc/27/10/66/216271066.db2.gz WXEKWMFCXXCOEN-UHFFFAOYSA-N 1 2 346.341 2.656 40 0 EFABLO CS(=O)(=O)Cc1noc(C[NH2+][C@@H](c2ccccc2)C2CCCC2)n1 ZINC000072630638 216284208 /nfs/dbraw/zinc/28/42/08/216284208.db2.gz AZMKLAPYXWQYJB-KRWDZBQOSA-N 1 2 349.456 2.635 40 0 EFABLO O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cc(=O)[nH]c2ccccc21 ZINC000023889741 212398876 /nfs/dbraw/zinc/39/88/76/212398876.db2.gz PMEYUDHSXZPNPH-UHFFFAOYSA-N 1 2 330.347 2.966 40 0 EFABLO O=C(c1n[nH]c2ccccc21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000022696784 212317849 /nfs/dbraw/zinc/31/78/49/212317849.db2.gz GEFXVHLLERCTJP-UHFFFAOYSA-N 1 2 326.425 2.582 40 0 EFABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)ccn1 ZINC000257339398 240313177 /nfs/dbraw/zinc/31/31/77/240313177.db2.gz ZBMYXPOXTXWZSM-KRWDZBQOSA-N 1 2 345.468 2.864 40 0 EFABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)ccn1 ZINC000257339398 240313183 /nfs/dbraw/zinc/31/31/83/240313183.db2.gz ZBMYXPOXTXWZSM-KRWDZBQOSA-N 1 2 345.468 2.864 40 0 EFABLO COc1ccc(F)cc1C(=O)N1CCC[C@@H](c2[nH+]c(C)cn2C)C1 ZINC000257341376 240314083 /nfs/dbraw/zinc/31/40/83/240314083.db2.gz ZKBOHHQQISGFPH-CYBMUJFWSA-N 1 2 331.391 2.896 40 0 EFABLO Cn1cc(CN2CCC[N@H+](Cc3ncc(C(C)(C)C)s3)CC2)cn1 ZINC000241739150 243001018 /nfs/dbraw/zinc/00/10/18/243001018.db2.gz RAKKZVDTESDGIF-UHFFFAOYSA-N 1 2 347.532 2.882 40 0 EFABLO Cn1cc(CN2CCC[N@@H+](Cc3ncc(C(C)(C)C)s3)CC2)cn1 ZINC000241739150 243001023 /nfs/dbraw/zinc/00/10/23/243001023.db2.gz RAKKZVDTESDGIF-UHFFFAOYSA-N 1 2 347.532 2.882 40 0 EFABLO Cc1nc(CC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)cs1 ZINC000257208899 244144852 /nfs/dbraw/zinc/14/48/52/244144852.db2.gz BNZYPGQQPZKTRT-HNNXBMFYSA-N 1 2 330.457 2.516 40 0 EFABLO c1ccc2c(c1)C=C(C[N@@H+]1CCO[C@@H](CCc3ccncn3)C1)CO2 ZINC000257211370 244153815 /nfs/dbraw/zinc/15/38/15/244153815.db2.gz BYPQTPXSMGFKQH-IBGZPJMESA-N 1 2 337.423 2.586 40 0 EFABLO c1ccc2c(c1)C=C(C[N@H+]1CCO[C@@H](CCc3ccncn3)C1)CO2 ZINC000257211370 244153824 /nfs/dbraw/zinc/15/38/24/244153824.db2.gz BYPQTPXSMGFKQH-IBGZPJMESA-N 1 2 337.423 2.586 40 0 EFABLO Cc1ccc2nc(C(=O)N(C)[C@@H]3CCCN(c4cccc[nH+]4)C3)cn2c1 ZINC000257214304 244160130 /nfs/dbraw/zinc/16/01/30/244160130.db2.gz CLMVJZHAHITUPA-MRXNPFEDSA-N 1 2 349.438 2.779 40 0 EFABLO Cc1cc(CC2CCN(C(=O)CCCN3CCCC3=O)CC2)cc[nH+]1 ZINC000257215643 244167854 /nfs/dbraw/zinc/16/78/54/244167854.db2.gz CQZQMJCLBVZUJZ-UHFFFAOYSA-N 1 2 343.471 2.574 40 0 EFABLO Cc1nc(N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257216960 244171350 /nfs/dbraw/zinc/17/13/50/244171350.db2.gz CWWDONNUQQKMFU-LJQANCHMSA-N 1 2 342.418 2.847 40 0 EFABLO Cc1cc(C[N@@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)no1 ZINC000257225955 244200824 /nfs/dbraw/zinc/20/08/24/244200824.db2.gz FIORNPPITMNDTG-OALUTQOASA-N 1 2 328.412 2.933 40 0 EFABLO Cc1cc(C[N@H+]2C[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)no1 ZINC000257225955 244200829 /nfs/dbraw/zinc/20/08/29/244200829.db2.gz FIORNPPITMNDTG-OALUTQOASA-N 1 2 328.412 2.933 40 0 EFABLO CC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000020216114 212112629 /nfs/dbraw/zinc/11/26/29/212112629.db2.gz FJUXLSYDVLVTQQ-UHFFFAOYSA-N 1 2 339.439 2.792 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](c2ccncn2)C1 ZINC000257220665 244179959 /nfs/dbraw/zinc/17/99/59/244179959.db2.gz DLQQVHQFJCJVHK-HNNXBMFYSA-N 1 2 335.411 2.541 40 0 EFABLO O=C(CCn1ncc2ccccc21)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257221042 244184462 /nfs/dbraw/zinc/18/44/62/244184462.db2.gz DNHAFKBFRVOHNT-QGZVFWFLSA-N 1 2 349.438 2.607 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)c3ccnn3C(C)C)C2)cc[nH+]1 ZINC000257243961 244250595 /nfs/dbraw/zinc/25/05/95/244250595.db2.gz IJHLAKCPLAVAMG-HNNXBMFYSA-N 1 2 327.432 2.921 40 0 EFABLO Cc1nccc([C@@H]2C[N@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257243636 244251494 /nfs/dbraw/zinc/25/14/94/244251494.db2.gz IHWGLADKXBMQRE-SFHVURJKSA-N 1 2 331.391 2.767 40 0 EFABLO Cc1nccc([C@@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257243636 244251497 /nfs/dbraw/zinc/25/14/97/244251497.db2.gz IHWGLADKXBMQRE-SFHVURJKSA-N 1 2 331.391 2.767 40 0 EFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)[nH+]1 ZINC000257244532 244252459 /nfs/dbraw/zinc/25/24/59/244252459.db2.gz ILTWOFTVDRSEFX-CYBMUJFWSA-N 1 2 328.416 2.582 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)COc2ccc(OC)cc2)cc[nH+]1 ZINC000257232829 244220269 /nfs/dbraw/zinc/22/02/69/244220269.db2.gz GMOWWKODBCATDY-QGZVFWFLSA-N 1 2 341.411 2.874 40 0 EFABLO CN(C)c1cncc([C@@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)n1 ZINC000257233835 244222241 /nfs/dbraw/zinc/22/22/41/244222241.db2.gz GQXVUVKXHFIMIY-KRWDZBQOSA-N 1 2 336.443 2.766 40 0 EFABLO CN(C)c1cncc([C@@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)n1 ZINC000257233835 244222249 /nfs/dbraw/zinc/22/22/49/244222249.db2.gz GQXVUVKXHFIMIY-KRWDZBQOSA-N 1 2 336.443 2.766 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)cc[nH+]1 ZINC000257233927 244222649 /nfs/dbraw/zinc/22/26/49/244222649.db2.gz GRKDJUGFVSEXOT-OAHLLOKOSA-N 1 2 339.395 2.872 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)COc3ccccc3)C2)cc[nH+]1 ZINC000257237178 244232139 /nfs/dbraw/zinc/23/21/39/244232139.db2.gz HFLSXUHXRWITNK-INIZCTEOSA-N 1 2 325.412 2.908 40 0 EFABLO Cn1ccnc1-c1cc(CC2CCN(c3cccc[nH+]3)CC2)ncn1 ZINC000257241741 244245062 /nfs/dbraw/zinc/24/50/62/244245062.db2.gz HZLKAYWAKYISSP-UHFFFAOYSA-N 1 2 334.427 2.731 40 0 EFABLO Cc1noc(C)c1-c1cccc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257246642 244258945 /nfs/dbraw/zinc/25/89/45/244258945.db2.gz IVBKTJWNVWKTBC-KRWDZBQOSA-N 1 2 339.399 2.650 40 0 EFABLO Cc1noc(C)c1-c1cccc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257246642 244258952 /nfs/dbraw/zinc/25/89/52/244258952.db2.gz IVBKTJWNVWKTBC-KRWDZBQOSA-N 1 2 339.399 2.650 40 0 EFABLO COc1cccc(OC)c1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020043261 212097328 /nfs/dbraw/zinc/09/73/28/212097328.db2.gz GIKOGCIWGFZEAJ-UHFFFAOYSA-N 1 2 337.379 2.820 40 0 EFABLO Cc1cc2nc(C3CC[NH+](CCC(F)(F)F)CC3)cc(=O)n2[nH]1 ZINC000257265629 244360332 /nfs/dbraw/zinc/36/03/32/244360332.db2.gz LZNZCXHMEVZPRQ-UHFFFAOYSA-N 1 2 328.338 2.875 40 0 EFABLO O=C(C1CCCC1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257268727 244368755 /nfs/dbraw/zinc/36/87/55/244368755.db2.gz MMXPSTKZWOLEAQ-HNNXBMFYSA-N 1 2 325.416 2.559 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257268985 244369913 /nfs/dbraw/zinc/36/99/13/244369913.db2.gz MOBSPDJDILPAON-CQSZACIVSA-N 1 2 327.384 2.509 40 0 EFABLO Cc1noc(C)c1-c1cccc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)n1 ZINC000257269683 244372158 /nfs/dbraw/zinc/37/21/58/244372158.db2.gz MQYAKROZJDQMKJ-MRXNPFEDSA-N 1 2 339.399 2.650 40 0 EFABLO CCCn1cc[nH+]c1CN1CCN(C(C)=O)[C@H](c2ccccc2)C1 ZINC000257261711 244350084 /nfs/dbraw/zinc/35/00/84/244350084.db2.gz LIMZLTGILBFTBZ-SFHVURJKSA-N 1 2 326.444 2.699 40 0 EFABLO O=C(N1CCCC1)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000257272627 244382361 /nfs/dbraw/zinc/38/23/61/244382361.db2.gz NDDOZJHEBZDWDJ-HXUWFJFHSA-N 1 2 336.439 2.590 40 0 EFABLO O=C(N1CCCC1)[C@]1(c2cnccn2)CCC[N@H+]1Cc1ccccc1 ZINC000257272627 244382365 /nfs/dbraw/zinc/38/23/65/244382365.db2.gz NDDOZJHEBZDWDJ-HXUWFJFHSA-N 1 2 336.439 2.590 40 0 EFABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(-c4cn[nH]c4)n3)C2)s1 ZINC000257273480 244385508 /nfs/dbraw/zinc/38/55/08/244385508.db2.gz NGTQNFHZCPIKON-KRWDZBQOSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(-c4cn[nH]c4)n3)C2)s1 ZINC000257273480 244385519 /nfs/dbraw/zinc/38/55/19/244385519.db2.gz NGTQNFHZCPIKON-KRWDZBQOSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)c3cnn(C)c3C)C2)c2sccn12 ZINC000019553260 212040606 /nfs/dbraw/zinc/04/06/06/212040606.db2.gz YUPPOYAOEUZCRR-CYBMUJFWSA-N 1 2 343.456 2.766 40 0 EFABLO Cc1[nH+]c([C@H]2CCCN(C(=O)c3cnn(C)c3C)C2)c2sccn12 ZINC000019553263 212040625 /nfs/dbraw/zinc/04/06/25/212040625.db2.gz YUPPOYAOEUZCRR-ZDUSSCGKSA-N 1 2 343.456 2.766 40 0 EFABLO COC(=O)[C@H](C)C[N@H+](C)Cn1nc(-c2ccc(C)cc2)oc1=S ZINC000032926926 284250029 /nfs/dbraw/zinc/25/00/29/284250029.db2.gz HLNXOWXYNJYKSL-GFCCVEGCSA-N 1 2 335.429 2.879 40 0 EFABLO COC(=O)[C@H](C)C[N@@H+](C)Cn1nc(-c2ccc(C)cc2)oc1=S ZINC000032926926 284250034 /nfs/dbraw/zinc/25/00/34/284250034.db2.gz HLNXOWXYNJYKSL-GFCCVEGCSA-N 1 2 335.429 2.879 40 0 EFABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2ccccc2F)CC1 ZINC000019240331 212008677 /nfs/dbraw/zinc/00/86/77/212008677.db2.gz YZXGREVPEYZMDR-UHFFFAOYSA-N 1 2 343.427 2.964 40 0 EFABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2ccccc2F)CC1 ZINC000019240331 212008680 /nfs/dbraw/zinc/00/86/80/212008680.db2.gz YZXGREVPEYZMDR-UHFFFAOYSA-N 1 2 343.427 2.964 40 0 EFABLO Cc1cc(C)n(-c2ccc(-c3noc([C@@H](C)n4cc[nH+]c4)n3)cn2)n1 ZINC000078774670 217118571 /nfs/dbraw/zinc/11/85/71/217118571.db2.gz WFAZXBOQNQAZGM-CYBMUJFWSA-N 1 2 335.371 2.740 40 0 EFABLO Cc1ccccc1-n1cc(C(=O)N[C@@H]2CCC[C@H]2n2cc[nH+]c2)cn1 ZINC000078989937 217167388 /nfs/dbraw/zinc/16/73/88/217167388.db2.gz IEKRMCYTPHZITD-SJLPKXTDSA-N 1 2 335.411 2.901 40 0 EFABLO O=C(NC1(c2ccccc2)CCOCC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000079002030 217172236 /nfs/dbraw/zinc/17/22/36/217172236.db2.gz ROVXORXPHAMIRH-UHFFFAOYSA-N 1 2 348.406 2.703 40 0 EFABLO COC(=O)CCc1nc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)no1 ZINC000079097527 217191466 /nfs/dbraw/zinc/19/14/66/217191466.db2.gz YBLLXFNATCLWBI-IBGZPJMESA-N 1 2 343.427 2.729 40 0 EFABLO COC(=O)CCc1nc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)no1 ZINC000079097527 217191470 /nfs/dbraw/zinc/19/14/70/217191470.db2.gz YBLLXFNATCLWBI-IBGZPJMESA-N 1 2 343.427 2.729 40 0 EFABLO C[C@H](c1nc(-c2cccnc2)no1)[N@H+](CCO)Cc1ccsc1 ZINC000079099905 217193544 /nfs/dbraw/zinc/19/35/44/217193544.db2.gz BSNNFTAOGWXLBF-GFCCVEGCSA-N 1 2 330.413 2.749 40 0 EFABLO C[C@H](c1nc(-c2cccnc2)no1)[N@@H+](CCO)Cc1ccsc1 ZINC000079099905 217193546 /nfs/dbraw/zinc/19/35/46/217193546.db2.gz BSNNFTAOGWXLBF-GFCCVEGCSA-N 1 2 330.413 2.749 40 0 EFABLO CCc1cc(NCc2ccccc2S(=O)(=O)NC(C)(C)C)nc[nH+]1 ZINC000079052599 217182985 /nfs/dbraw/zinc/18/29/85/217182985.db2.gz SYPYPVVGYDDKFA-UHFFFAOYSA-N 1 2 348.472 2.728 40 0 EFABLO COc1cc(F)c([C@H](C)[NH2+][C@H](C(N)=O)c2ccccc2)cc1OC ZINC000079311871 217207304 /nfs/dbraw/zinc/20/73/04/217207304.db2.gz ZPTRMFSATRSJMS-GTNSWQLSSA-N 1 2 332.375 2.720 40 0 EFABLO O[C@@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000079350305 217212070 /nfs/dbraw/zinc/21/20/70/217212070.db2.gz BBTNZXQNMRXEDZ-WOJBJXKFSA-N 1 2 345.414 2.777 40 0 EFABLO O[C@@H](COCc1ccccc1)C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000079350305 217212074 /nfs/dbraw/zinc/21/20/74/217212074.db2.gz BBTNZXQNMRXEDZ-WOJBJXKFSA-N 1 2 345.414 2.777 40 0 EFABLO CO[C@@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000079352914 217213009 /nfs/dbraw/zinc/21/30/09/217213009.db2.gz WQTOOGCNEDESAC-QFBILLFUSA-N 1 2 339.439 2.675 40 0 EFABLO CO[C@H](C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000079352920 217213461 /nfs/dbraw/zinc/21/34/61/217213461.db2.gz WQTOOGCNEDESAC-LPHOPBHVSA-N 1 2 339.439 2.675 40 0 EFABLO CC(C)COC[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000079355151 217214045 /nfs/dbraw/zinc/21/40/45/217214045.db2.gz IYUOQTCNHUPTQN-DLBZAZTESA-N 1 2 348.491 2.531 40 0 EFABLO CCOC(=O)[C@H](C)[NH2+]CC1(c2ccccc2Cl)CCOCC1 ZINC000079355038 217214143 /nfs/dbraw/zinc/21/41/43/217214143.db2.gz MBXIZIHXPSSLMN-ZDUSSCGKSA-N 1 2 325.836 2.929 40 0 EFABLO C[NH+](C)[C@H](CNC(=O)/C=C/c1ccncc1)c1c(F)cccc1F ZINC000079362538 217216060 /nfs/dbraw/zinc/21/60/60/217216060.db2.gz JPUXETNIGFVGJH-FYCOFBDGSA-N 1 2 331.366 2.792 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cc(NC2CC2)nc[nH+]1 ZINC000079439838 217224372 /nfs/dbraw/zinc/22/43/72/217224372.db2.gz YJHXSSVPMKGHKR-CYBMUJFWSA-N 1 2 333.436 2.862 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000079439838 217224375 /nfs/dbraw/zinc/22/43/75/217224375.db2.gz YJHXSSVPMKGHKR-CYBMUJFWSA-N 1 2 333.436 2.862 40 0 EFABLO CCN(CC)c1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nc[nH+]1 ZINC000079440068 217224488 /nfs/dbraw/zinc/22/44/88/217224488.db2.gz KWPUVEIHGVCQNG-AWEZNQCLSA-N 1 2 349.479 2.768 40 0 EFABLO CCN(CC)c1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)[nH+]cn1 ZINC000079440068 217224491 /nfs/dbraw/zinc/22/44/91/217224491.db2.gz KWPUVEIHGVCQNG-AWEZNQCLSA-N 1 2 349.479 2.768 40 0 EFABLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1SCCc2ccccc21 ZINC000079489261 217232471 /nfs/dbraw/zinc/23/24/71/217232471.db2.gz JYXXAZURTIPXAV-GOSISDBHSA-N 1 2 341.480 2.909 40 0 EFABLO CN(C)c1[nH+]cccc1NC(=O)Cc1ccc(NC(=O)C2CC2)cc1 ZINC000079696985 217249256 /nfs/dbraw/zinc/24/92/56/217249256.db2.gz BAVUTQLIAYROQH-UHFFFAOYSA-N 1 2 338.411 2.677 40 0 EFABLO Cc1cc(N)nc(SCc2nc(Cc3ccccc3C)no2)[nH+]1 ZINC000080302804 217296397 /nfs/dbraw/zinc/29/63/97/217296397.db2.gz JAZURRQDGWEVRG-UHFFFAOYSA-N 1 2 327.413 2.942 40 0 EFABLO Cc1nc(C)c(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)o1 ZINC000081237727 217372593 /nfs/dbraw/zinc/37/25/93/217372593.db2.gz GQLKFCWEQQOFDH-CQSZACIVSA-N 1 2 328.347 2.683 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2oc3ccccc3c2C)[nH+]1 ZINC000257213435 291618762 /nfs/dbraw/zinc/61/87/62/291618762.db2.gz CHORNKUVZARWPZ-AWEZNQCLSA-N 1 2 325.368 2.986 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccccn2)CC1 ZINC000012221693 211324173 /nfs/dbraw/zinc/32/41/73/211324173.db2.gz REJPTQZLZAQTFR-UHFFFAOYSA-N 1 2 349.438 2.501 40 0 EFABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@H+](Cc1ccncc1)CC3 ZINC000012142913 211304324 /nfs/dbraw/zinc/30/43/24/211304324.db2.gz CMVJCLMCDSZOAC-UHFFFAOYSA-N 1 2 337.427 2.686 40 0 EFABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@@H+](Cc1ccncc1)CC3 ZINC000012142913 211304326 /nfs/dbraw/zinc/30/43/26/211304326.db2.gz CMVJCLMCDSZOAC-UHFFFAOYSA-N 1 2 337.427 2.686 40 0 EFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000012120663 211300606 /nfs/dbraw/zinc/30/06/06/211300606.db2.gz VPRJUCRUJQKDGW-UHFFFAOYSA-N 1 2 336.370 2.529 40 0 EFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000012120663 211300610 /nfs/dbraw/zinc/30/06/10/211300610.db2.gz VPRJUCRUJQKDGW-UHFFFAOYSA-N 1 2 336.370 2.529 40 0 EFABLO COc1ccc(C[N@@H+](Cc2cncn2C)C[C@@H]2CCCO2)cc1OC ZINC000012116798 211296639 /nfs/dbraw/zinc/29/66/39/211296639.db2.gz LIMYKUUAFVJLJN-KRWDZBQOSA-N 1 2 345.443 2.619 40 0 EFABLO COc1ccc(C[N@H+](Cc2cncn2C)C[C@@H]2CCCO2)cc1OC ZINC000012116798 211296642 /nfs/dbraw/zinc/29/66/42/211296642.db2.gz LIMYKUUAFVJLJN-KRWDZBQOSA-N 1 2 345.443 2.619 40 0 EFABLO COc1ccc(CN(Cc2c[nH+]cn2C)C[C@@H]2CCCO2)c(OC)c1 ZINC000012116786 211296322 /nfs/dbraw/zinc/29/63/22/211296322.db2.gz JHRONVIKUXJCGD-SFHVURJKSA-N 1 2 345.443 2.619 40 0 EFABLO Cc1ncccc1C[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000093004984 218184788 /nfs/dbraw/zinc/18/47/88/218184788.db2.gz SGYSKTDWWKHIRE-UHFFFAOYSA-N 1 2 349.232 2.618 40 0 EFABLO Cc1ncccc1C[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000093004984 218184789 /nfs/dbraw/zinc/18/47/89/218184789.db2.gz SGYSKTDWWKHIRE-UHFFFAOYSA-N 1 2 349.232 2.618 40 0 EFABLO C[N@H+](CCOC[C@@H]1CCCO1)Cc1c(Cl)nc2sccn12 ZINC000095400858 218335933 /nfs/dbraw/zinc/33/59/33/218335933.db2.gz RTVLFWCOMCOEFQ-NSHDSACASA-N 1 2 329.853 2.677 40 0 EFABLO C[N@@H+](CCOC[C@@H]1CCCO1)Cc1c(Cl)nc2sccn12 ZINC000095400858 218335934 /nfs/dbraw/zinc/33/59/34/218335934.db2.gz RTVLFWCOMCOEFQ-NSHDSACASA-N 1 2 329.853 2.677 40 0 EFABLO COc1cc(N[C@H]2CCCN(c3cc(C)[nH+]cn3)C2)cc(OC)c1 ZINC000095413922 218352599 /nfs/dbraw/zinc/35/25/99/218352599.db2.gz XVJAHWRZQKDCRW-AWEZNQCLSA-N 1 2 328.416 2.883 40 0 EFABLO CO[C@H](C(=O)NCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000096431595 218806123 /nfs/dbraw/zinc/80/61/23/218806123.db2.gz IVOSTCJQATYFMD-IBGZPJMESA-N 1 2 335.407 2.935 40 0 EFABLO C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1[nH]cc[nH+]1 ZINC000096476791 218853829 /nfs/dbraw/zinc/85/38/29/218853829.db2.gz VPTPESNUYYEJMG-SECBINFHSA-N 1 2 340.196 2.806 40 0 EFABLO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000004967554 210342079 /nfs/dbraw/zinc/34/20/79/210342079.db2.gz VBWFUJBANZVJRM-MAUKXSAKSA-N 1 2 348.462 2.804 40 0 EFABLO Cc1cc(N2CCC[C@H]2CC(=O)c2cnn(C)c2)nc(C2CC2)[nH+]1 ZINC000097233429 219001163 /nfs/dbraw/zinc/00/11/63/219001163.db2.gz ZCJCLEJHDSEIIP-HNNXBMFYSA-N 1 2 325.416 2.638 40 0 EFABLO C[C@H](CNC(=O)c1cc(N(C)C)nc2ccccc21)Cn1cc[nH+]c1 ZINC000097374626 219018159 /nfs/dbraw/zinc/01/81/59/219018159.db2.gz VNNBACBUFIKFJN-CQSZACIVSA-N 1 2 337.427 2.563 40 0 EFABLO O=c1c2sccc2nc2n1CC[N@@H+](Cc1ccccc1F)CC2 ZINC000019349436 285215974 /nfs/dbraw/zinc/21/59/74/285215974.db2.gz AMUQOUWZOHTGJI-UHFFFAOYSA-N 1 2 329.400 2.655 40 0 EFABLO O=c1c2sccc2nc2n1CC[N@H+](Cc1ccccc1F)CC2 ZINC000019349436 285215976 /nfs/dbraw/zinc/21/59/76/285215976.db2.gz AMUQOUWZOHTGJI-UHFFFAOYSA-N 1 2 329.400 2.655 40 0 EFABLO CC[C@@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1C ZINC000072224701 257687039 /nfs/dbraw/zinc/68/70/39/257687039.db2.gz BYHYIXFZVWIKJG-OAHLLOKOSA-N 1 2 335.448 2.891 40 0 EFABLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2ccc(OC)nn2)c1 ZINC000330032030 258002537 /nfs/dbraw/zinc/00/25/37/258002537.db2.gz HIQRALBLZZJJRT-INIZCTEOSA-N 1 2 329.400 2.840 40 0 EFABLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(OC)nn2)c1 ZINC000330032030 258002538 /nfs/dbraw/zinc/00/25/38/258002538.db2.gz HIQRALBLZZJJRT-INIZCTEOSA-N 1 2 329.400 2.840 40 0 EFABLO O=C(c1noc2c1CCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020137748 258057009 /nfs/dbraw/zinc/05/70/09/258057009.db2.gz WVNLXKSZLUBBTL-UHFFFAOYSA-N 1 2 325.412 2.511 40 0 EFABLO O=C(NCC[NH+]1CCN(c2ccccc2F)CC1)C1CCCCC1 ZINC000056997416 132198272 /nfs/dbraw/zinc/19/82/72/132198272.db2.gz UUVDUIFGQUAGQX-UHFFFAOYSA-N 1 2 333.451 2.644 40 0 EFABLO Cc1ccc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000057363892 132200205 /nfs/dbraw/zinc/20/02/05/132200205.db2.gz HTIGCKICUTWAKD-UHFFFAOYSA-N 1 2 327.403 2.895 40 0 EFABLO COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CC[N@H+]1C ZINC000001704333 286257189 /nfs/dbraw/zinc/25/71/89/286257189.db2.gz LINHZVMHXABQLB-CYBMUJFWSA-N 1 2 327.380 2.867 40 0 EFABLO COc1cc2c(cc1O)C[C@@H]1c3c(cc(OC)c(O)c3-2)CC[N@@H+]1C ZINC000001704333 286257191 /nfs/dbraw/zinc/25/71/91/286257191.db2.gz LINHZVMHXABQLB-CYBMUJFWSA-N 1 2 327.380 2.867 40 0 EFABLO C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](c2ccccc2)CO1 ZINC000253418093 296873194 /nfs/dbraw/zinc/87/31/94/296873194.db2.gz DISHLCNIRVZMHK-FRFSOERESA-N 1 2 325.412 2.818 40 0 EFABLO CCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000096487521 544559925 /nfs/dbraw/zinc/55/99/25/544559925.db2.gz FFPMIAWIIQWKPU-CVEARBPZSA-N 1 2 339.867 2.763 40 0 EFABLO CCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000096487521 544559930 /nfs/dbraw/zinc/55/99/30/544559930.db2.gz FFPMIAWIIQWKPU-CVEARBPZSA-N 1 2 339.867 2.763 40 0 EFABLO CC(=O)N(C)c1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000163262138 544833608 /nfs/dbraw/zinc/83/36/08/544833608.db2.gz QVVNOUGRKISPBY-QGZVFWFLSA-N 1 2 341.415 2.562 40 0 EFABLO CCOc1ccccc1[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000280967222 273386473 /nfs/dbraw/zinc/38/64/73/273386473.db2.gz SRXCUHWQHJOMII-YJBOKZPZSA-N 1 2 346.471 2.906 40 0 EFABLO CCOc1ccccc1[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000280967222 273386474 /nfs/dbraw/zinc/38/64/74/273386474.db2.gz SRXCUHWQHJOMII-YJBOKZPZSA-N 1 2 346.471 2.906 40 0 EFABLO C[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)c1cccs1 ZINC000286851162 274286699 /nfs/dbraw/zinc/28/66/99/274286699.db2.gz NASHAAWSWYAINM-DOMZBBRYSA-N 1 2 333.457 2.869 40 0 EFABLO C[N@@H+]1CCc2nc(NC(=O)c3ccc(Br)o3)sc2C1 ZINC000024152323 277188618 /nfs/dbraw/zinc/18/86/18/277188618.db2.gz AKIISADHDZNTEV-UHFFFAOYSA-N 1 2 342.218 2.739 40 0 EFABLO C[N@H+]1CCc2nc(NC(=O)c3ccc(Br)o3)sc2C1 ZINC000024152323 277188619 /nfs/dbraw/zinc/18/86/19/277188619.db2.gz AKIISADHDZNTEV-UHFFFAOYSA-N 1 2 342.218 2.739 40 0 EFABLO C[N@@H+]1CCc2nc(NC(=O)c3ccc4c(c3)OCCCO4)sc2C1 ZINC000040461217 277189095 /nfs/dbraw/zinc/18/90/95/277189095.db2.gz UDANHTSRAOYSGQ-UHFFFAOYSA-N 1 2 345.424 2.545 40 0 EFABLO C[N@H+]1CCc2nc(NC(=O)c3ccc4c(c3)OCCCO4)sc2C1 ZINC000040461217 277189096 /nfs/dbraw/zinc/18/90/96/277189096.db2.gz UDANHTSRAOYSGQ-UHFFFAOYSA-N 1 2 345.424 2.545 40 0 EFABLO O=C1CCC(=O)N1CC[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084133274 280249566 /nfs/dbraw/zinc/24/95/66/280249566.db2.gz WQLIJBDLFKVVQF-UHFFFAOYSA-N 1 2 327.211 2.501 40 0 EFABLO O=C1CCC(=O)N1CC[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC000084133274 280249569 /nfs/dbraw/zinc/24/95/69/280249569.db2.gz WQLIJBDLFKVVQF-UHFFFAOYSA-N 1 2 327.211 2.501 40 0 EFABLO C[C@H](CNc1[nH+]cnc2c1cnn2C(C)(C)C)CC1(C)OCCO1 ZINC000096487533 289700913 /nfs/dbraw/zinc/70/09/13/289700913.db2.gz UUHXRBKSSWDOME-LBPRGKRZSA-N 1 2 333.436 2.782 40 0 EFABLO Cc1cc(NCCc2[nH+]cccc2C)n2nc(C(F)(F)F)nc2n1 ZINC000576789731 320048626 /nfs/dbraw/zinc/04/86/26/320048626.db2.gz NUZLUEMEUQGOSE-UHFFFAOYSA-N 1 2 336.321 2.810 40 0 EFABLO Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000131877333 323218835 /nfs/dbraw/zinc/21/88/35/323218835.db2.gz WOJWFQMLMJQTEZ-SFHVURJKSA-N 1 2 327.428 2.736 40 0 EFABLO Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000131877333 323218837 /nfs/dbraw/zinc/21/88/37/323218837.db2.gz WOJWFQMLMJQTEZ-SFHVURJKSA-N 1 2 327.428 2.736 40 0 EFABLO O=C(C[C@@H]1COCCN1Cc1c[nH+]c2ccccn12)c1cccs1 ZINC000154433392 323220477 /nfs/dbraw/zinc/22/04/77/323220477.db2.gz JNZDSSAAEBSPSB-CQSZACIVSA-N 1 2 341.436 2.870 40 0 EFABLO Cn1nnc(C[NH2+][C@@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000194290465 323504962 /nfs/dbraw/zinc/50/49/62/323504962.db2.gz QJMPXLAOQZULMJ-INIZCTEOSA-N 1 2 327.819 2.937 40 0 EFABLO Cn1ncc2c1nc[nH+]c2SCc1ncc(Br)s1 ZINC000390835556 323780882 /nfs/dbraw/zinc/78/08/82/323780882.db2.gz QOOCHSBJQUTXNF-UHFFFAOYSA-N 1 2 342.247 2.875 40 0 EFABLO COc1c2c(cc3c1C[N@H+](Cc1ccccc1F)C[C@@H]3O)OCO2 ZINC000095470442 473210719 /nfs/dbraw/zinc/21/07/19/473210719.db2.gz PLZMCAFMMRQEPL-HNNXBMFYSA-N 1 2 331.343 2.612 40 0 EFABLO COc1c2c(cc3c1C[N@@H+](Cc1ccccc1F)C[C@@H]3O)OCO2 ZINC000095470442 473210723 /nfs/dbraw/zinc/21/07/23/473210723.db2.gz PLZMCAFMMRQEPL-HNNXBMFYSA-N 1 2 331.343 2.612 40 0 EFABLO COc1ccc(OCc2n[nH]c([C@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533282 473222235 /nfs/dbraw/zinc/22/22/35/473222235.db2.gz MOZNGGMYBOKUMD-MRXNPFEDSA-N 1 2 328.347 2.580 40 0 EFABLO CCOc1cc([C@@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)ccc1OC ZINC000095534385 473223026 /nfs/dbraw/zinc/22/30/26/473223026.db2.gz CGXQPSDKTGNCAN-MRXNPFEDSA-N 1 2 340.383 2.633 40 0 EFABLO c1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)n1 ZINC000096040341 473261744 /nfs/dbraw/zinc/26/17/44/473261744.db2.gz DJSQOGBDTCYIJN-CRAIPNDOSA-N 1 2 345.468 2.988 40 0 EFABLO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)n1 ZINC000096040341 473261751 /nfs/dbraw/zinc/26/17/51/473261751.db2.gz DJSQOGBDTCYIJN-CRAIPNDOSA-N 1 2 345.468 2.988 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096042204 473262988 /nfs/dbraw/zinc/26/29/88/473262988.db2.gz LRYCJZXBFPPYJF-GBESFXJTSA-N 1 2 343.427 2.635 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@@H](OCc3ccncc3)CC[C@@H]21 ZINC000096042204 473262994 /nfs/dbraw/zinc/26/29/94/473262994.db2.gz LRYCJZXBFPPYJF-GBESFXJTSA-N 1 2 343.427 2.635 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)o1 ZINC000096041783 473263009 /nfs/dbraw/zinc/26/30/09/473263009.db2.gz YCXHBKLHFFHQIV-IPMKNSEASA-N 1 2 328.412 2.932 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)o1 ZINC000096041783 473263016 /nfs/dbraw/zinc/26/30/16/473263016.db2.gz YCXHBKLHFFHQIV-IPMKNSEASA-N 1 2 328.412 2.932 40 0 EFABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC000096041883 473263586 /nfs/dbraw/zinc/26/35/86/473263586.db2.gz BGBPITJCTPVPNZ-JJRVBVJISA-N 1 2 331.441 2.657 40 0 EFABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC000096041883 473263593 /nfs/dbraw/zinc/26/35/93/473263593.db2.gz BGBPITJCTPVPNZ-JJRVBVJISA-N 1 2 331.441 2.657 40 0 EFABLO COc1ccccc1C[N@@H+]1CCc2cnn(C)c2[C@@H]1COCC1CC1 ZINC000096044507 473265310 /nfs/dbraw/zinc/26/53/10/473265310.db2.gz VNAPWCGGPSCPEX-SFHVURJKSA-N 1 2 341.455 2.955 40 0 EFABLO COc1ccccc1C[N@H+]1CCc2cnn(C)c2[C@@H]1COCC1CC1 ZINC000096044507 473265315 /nfs/dbraw/zinc/26/53/15/473265315.db2.gz VNAPWCGGPSCPEX-SFHVURJKSA-N 1 2 341.455 2.955 40 0 EFABLO COC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1ccoc1 ZINC000096044531 473265484 /nfs/dbraw/zinc/26/54/84/473265484.db2.gz RWUQHPKEELVALM-SFHVURJKSA-N 1 2 345.443 2.649 40 0 EFABLO COC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1ccoc1 ZINC000096044531 473265491 /nfs/dbraw/zinc/26/54/91/473265491.db2.gz RWUQHPKEELVALM-SFHVURJKSA-N 1 2 345.443 2.649 40 0 EFABLO COC[C@@H]1C[N@H+](Cc2ccoc2)Cc2cn(CC3CCOCC3)nc21 ZINC000096044702 473265915 /nfs/dbraw/zinc/26/59/15/473265915.db2.gz FZBQMPUISYUDIX-SFHVURJKSA-N 1 2 345.443 2.649 40 0 EFABLO COC[C@@H]1C[N@@H+](Cc2ccoc2)Cc2cn(CC3CCOCC3)nc21 ZINC000096044702 473265920 /nfs/dbraw/zinc/26/59/20/473265920.db2.gz FZBQMPUISYUDIX-SFHVURJKSA-N 1 2 345.443 2.649 40 0 EFABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(C(=O)Cc1ccsc1)C2 ZINC000096044935 473266444 /nfs/dbraw/zinc/26/64/44/473266444.db2.gz OBAPHMDIRYGCTA-OAHLLOKOSA-N 1 2 345.468 2.577 40 0 EFABLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)c1cscn1 ZINC000081932776 473273329 /nfs/dbraw/zinc/27/33/29/473273329.db2.gz CGWZAUHPGYDGHY-UHFFFAOYSA-N 1 2 326.425 2.902 40 0 EFABLO Fc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)cc1 ZINC000096055278 473278969 /nfs/dbraw/zinc/27/89/69/473278969.db2.gz AOOYDEYZRXJGSY-RYQLBKOJSA-N 1 2 343.402 2.674 40 0 EFABLO Fc1ccc(C[N@H+]2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)cc1 ZINC000096055278 473278977 /nfs/dbraw/zinc/27/89/77/473278977.db2.gz AOOYDEYZRXJGSY-RYQLBKOJSA-N 1 2 343.402 2.674 40 0 EFABLO c1coc(C[N@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)c1 ZINC000096059136 473282603 /nfs/dbraw/zinc/28/26/03/473282603.db2.gz GHUTXFUNDQZHME-QGZVFWFLSA-N 1 2 338.411 2.720 40 0 EFABLO c1coc(C[N@@H+]2Cc3nccn3C[C@H](COCc3cccnc3)C2)c1 ZINC000096059136 473282608 /nfs/dbraw/zinc/28/26/08/473282608.db2.gz GHUTXFUNDQZHME-QGZVFWFLSA-N 1 2 338.411 2.720 40 0 EFABLO c1coc(CN2Cc3[nH+]ccn3C[C@H](COCc3cccnc3)C2)c1 ZINC000096059136 473282614 /nfs/dbraw/zinc/28/26/14/473282614.db2.gz GHUTXFUNDQZHME-QGZVFWFLSA-N 1 2 338.411 2.720 40 0 EFABLO c1coc(C[N@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096059155 473283216 /nfs/dbraw/zinc/28/32/16/473283216.db2.gz PFZUGOUIPILVMR-INIZCTEOSA-N 1 2 338.411 2.720 40 0 EFABLO c1coc(C[N@@H+]2Cc3nccn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096059155 473283223 /nfs/dbraw/zinc/28/32/23/473283223.db2.gz PFZUGOUIPILVMR-INIZCTEOSA-N 1 2 338.411 2.720 40 0 EFABLO c1coc(CN2Cc3[nH+]ccn3C[C@@H](COCc3ccccn3)C2)c1 ZINC000096059155 473283229 /nfs/dbraw/zinc/28/32/29/473283229.db2.gz PFZUGOUIPILVMR-INIZCTEOSA-N 1 2 338.411 2.720 40 0 EFABLO COc1ccc(CN2CCn3c(Cn4cccn4)c[nH+]c3[C@@H]2C)cc1 ZINC000096062047 473284961 /nfs/dbraw/zinc/28/49/61/473284961.db2.gz CKUUDLWAXGZQJS-HNNXBMFYSA-N 1 2 337.427 2.713 40 0 EFABLO Cn1nnc2c1[C@H](COCc1ccccc1)C[N@H+](Cc1cccnc1)C2 ZINC000096060813 473285859 /nfs/dbraw/zinc/28/58/59/473285859.db2.gz IGXQILFRNOINFP-SFHVURJKSA-N 1 2 349.438 2.526 40 0 EFABLO Cn1nnc2c1[C@H](COCc1ccccc1)C[N@@H+](Cc1cccnc1)C2 ZINC000096060813 473285867 /nfs/dbraw/zinc/28/58/67/473285867.db2.gz IGXQILFRNOINFP-SFHVURJKSA-N 1 2 349.438 2.526 40 0 EFABLO COC[C@@H]1C[N@H+](Cc2sccc2C)Cc2nnn(CC3CC3)c21 ZINC000096068857 473289758 /nfs/dbraw/zinc/28/97/58/473289758.db2.gz ZKWKAJQZBKGHRH-AWEZNQCLSA-N 1 2 332.473 2.804 40 0 EFABLO COC[C@@H]1C[N@@H+](Cc2sccc2C)Cc2nnn(CC3CC3)c21 ZINC000096068857 473289763 /nfs/dbraw/zinc/28/97/63/473289763.db2.gz ZKWKAJQZBKGHRH-AWEZNQCLSA-N 1 2 332.473 2.804 40 0 EFABLO F[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112114 473305582 /nfs/dbraw/zinc/30/55/82/473305582.db2.gz FWTDMUXMVTXXQX-PBHICJAKSA-N 1 2 326.375 2.697 40 0 biogenic,in-vitro EFABLO F[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCc1nc2cc[nH]cc-2n1 ZINC000096112114 473305590 /nfs/dbraw/zinc/30/55/90/473305590.db2.gz FWTDMUXMVTXXQX-PBHICJAKSA-N 1 2 326.375 2.697 40 0 biogenic,in-vitro EFABLO Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH+]c[nH]3)n2)c(F)c1 ZINC000096112656 473305974 /nfs/dbraw/zinc/30/59/74/473305974.db2.gz ARIYWDUPUULIEM-INIZCTEOSA-N 1 2 345.353 2.652 40 0 biogenic,in-vitro EFABLO Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c[nH+]3)n2)c(F)c1 ZINC000096112656 473305978 /nfs/dbraw/zinc/30/59/78/473305978.db2.gz ARIYWDUPUULIEM-INIZCTEOSA-N 1 2 345.353 2.652 40 0 biogenic,in-vitro EFABLO Cn1c[nH+]c2c1[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)CC2 ZINC000096147160 473314836 /nfs/dbraw/zinc/31/48/36/473314836.db2.gz CUUKGCBZFFCISP-LJQANCHMSA-N 1 2 338.455 2.578 40 0 EFABLO CC(C)n1nc(Cc2cccc(C(=O)CF)c2)c2c1nc[nH+]c2N ZINC000148581685 473319608 /nfs/dbraw/zinc/31/96/08/473319608.db2.gz WEPKWIAJJGCTLW-UHFFFAOYSA-N 1 2 327.363 2.732 40 0 EFABLO Cc1ccsc1C(=O)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187916 473328536 /nfs/dbraw/zinc/32/85/36/473328536.db2.gz OCGCHZRUKWHUSU-HNNXBMFYSA-N 1 2 345.468 2.952 40 0 EFABLO Cc1nc(CN2Cc3[nH+]ccn3C[C@@H](COCC3CC3)C2)cs1 ZINC000096187885 473328617 /nfs/dbraw/zinc/32/86/17/473328617.db2.gz SKNRQCHKLXWWII-HNNXBMFYSA-N 1 2 332.473 2.707 40 0 EFABLO Cc1ccc(C[N@@H+]2CCc3c([nH]nc3C(=O)N3CCCC3)C2)s1 ZINC000096187444 473328847 /nfs/dbraw/zinc/32/88/47/473328847.db2.gz XFIWQQMITBUKSO-UHFFFAOYSA-N 1 2 330.457 2.574 40 0 EFABLO Cc1ccc(C[N@H+]2CCc3c([nH]nc3C(=O)N3CCCC3)C2)s1 ZINC000096187444 473328851 /nfs/dbraw/zinc/32/88/51/473328851.db2.gz XFIWQQMITBUKSO-UHFFFAOYSA-N 1 2 330.457 2.574 40 0 EFABLO Cc1ccsc1C(=O)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187917 473328968 /nfs/dbraw/zinc/32/89/68/473328968.db2.gz OCGCHZRUKWHUSU-OAHLLOKOSA-N 1 2 345.468 2.952 40 0 EFABLO O=C(c1ccccc1)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096187979 473329604 /nfs/dbraw/zinc/32/96/04/473329604.db2.gz NMQCUYFRPGUJRK-INIZCTEOSA-N 1 2 348.406 2.629 40 0 EFABLO C[C@@]1(C(=O)NCCCn2cc[nH+]c2)CC(c2ccccc2Cl)=NO1 ZINC000096192901 473332832 /nfs/dbraw/zinc/33/28/32/473332832.db2.gz SBQSUFQHFRMWCP-KRWDZBQOSA-N 1 2 346.818 2.626 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1Cc2cnn(C)c2[C@@H](COCC2CC2)C1 ZINC000096198272 473334738 /nfs/dbraw/zinc/33/47/38/473334738.db2.gz GBAUZRYOOQMAAW-MRXNPFEDSA-N 1 2 330.432 2.551 40 0 EFABLO Cc1noc(C)c1C[N@H+]1Cc2cnn(C)c2[C@@H](COCC2CC2)C1 ZINC000096198272 473334741 /nfs/dbraw/zinc/33/47/41/473334741.db2.gz GBAUZRYOOQMAAW-MRXNPFEDSA-N 1 2 330.432 2.551 40 0 EFABLO Cc1ccc(CN2CCOC[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)o1 ZINC000096202208 473337445 /nfs/dbraw/zinc/33/74/45/473337445.db2.gz OUYUCWYYRMADGF-GOSISDBHSA-N 1 2 347.484 2.769 40 0 EFABLO Cc1ccc(CN2CCOC[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)o1 ZINC000096202208 473337453 /nfs/dbraw/zinc/33/74/53/473337453.db2.gz OUYUCWYYRMADGF-GOSISDBHSA-N 1 2 347.484 2.769 40 0 EFABLO Cc1nc(CN2CC[C@]3(CCCN(c4cccc[nH+]4)C3)C2=O)cs1 ZINC000096224364 473356337 /nfs/dbraw/zinc/35/63/37/473356337.db2.gz SQHMCTYDWQDOJR-SFHVURJKSA-N 1 2 342.468 2.866 40 0 EFABLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)N1CCSCC1 ZINC000083669302 473356590 /nfs/dbraw/zinc/35/65/90/473356590.db2.gz NPYDMHWKOUKYKF-UHFFFAOYSA-N 1 2 344.484 2.774 40 0 EFABLO Cc1nc(CN2CCC[C@@]3(C2)C[N@H+](Cc2ccco2)CCO3)cs1 ZINC000096226692 473357773 /nfs/dbraw/zinc/35/77/73/473357773.db2.gz WIILMILTGZBZSF-GOSISDBHSA-N 1 2 347.484 2.912 40 0 EFABLO Cc1nc(CN2CCC[C@@]3(C2)C[N@@H+](Cc2ccco2)CCO3)cs1 ZINC000096226692 473357782 /nfs/dbraw/zinc/35/77/82/473357782.db2.gz WIILMILTGZBZSF-GOSISDBHSA-N 1 2 347.484 2.912 40 0 EFABLO Cc1nc(C[N@@H+]2CCC[C@]3(CN(Cc4ccco4)CCO3)C2)cs1 ZINC000096226692 473357792 /nfs/dbraw/zinc/35/77/92/473357792.db2.gz WIILMILTGZBZSF-GOSISDBHSA-N 1 2 347.484 2.912 40 0 EFABLO Cc1nc(C[N@H+]2CCC[C@]3(CN(Cc4ccco4)CCO3)C2)cs1 ZINC000096226692 473357803 /nfs/dbraw/zinc/35/78/03/473357803.db2.gz WIILMILTGZBZSF-GOSISDBHSA-N 1 2 347.484 2.912 40 0 EFABLO Cn1ccnc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1 ZINC000096239571 473362609 /nfs/dbraw/zinc/36/26/09/473362609.db2.gz SIZMNHONOCCQDD-KRWDZBQOSA-N 1 2 347.413 2.553 40 0 EFABLO Cn1ccnc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1 ZINC000096239571 473362615 /nfs/dbraw/zinc/36/26/15/473362615.db2.gz SIZMNHONOCCQDD-KRWDZBQOSA-N 1 2 347.413 2.553 40 0 EFABLO CC(C)CC(=O)N1CCc2[nH+]c(N3CCCC3)nc(NC3CC3)c2C1 ZINC000096254129 473365217 /nfs/dbraw/zinc/36/52/17/473365217.db2.gz MRFKYDRMRYTLIV-UHFFFAOYSA-N 1 2 343.475 2.582 40 0 EFABLO CCCN(CCC)c1nc(N2CCOCC2)nc(NC(C)(C)C)[nH+]1 ZINC000000127598 471325981 /nfs/dbraw/zinc/32/59/81/471325981.db2.gz FIXYKKXTJCYLID-UHFFFAOYSA-N 1 2 336.484 2.545 40 0 EFABLO CCCN(CCC)c1nc(NC(C)(C)C)[nH+]c(N2CCOCC2)n1 ZINC000000127598 471325985 /nfs/dbraw/zinc/32/59/85/471325985.db2.gz FIXYKKXTJCYLID-UHFFFAOYSA-N 1 2 336.484 2.545 40 0 EFABLO C[C@H]1CCC[N@@H+]([C@@H](c2nnnn2Cc2ccccc2)c2cccnc2)C1 ZINC000001333149 471386448 /nfs/dbraw/zinc/38/64/48/471386448.db2.gz AUVFDGPODCUOET-QFBILLFUSA-N 1 2 348.454 2.938 40 0 EFABLO C[C@H]1CCC[N@H+]([C@@H](c2nnnn2Cc2ccccc2)c2cccnc2)C1 ZINC000001333149 471386455 /nfs/dbraw/zinc/38/64/55/471386455.db2.gz AUVFDGPODCUOET-QFBILLFUSA-N 1 2 348.454 2.938 40 0 EFABLO O=C1C[N@@H+](C2CCCCC2)CC(=O)N2[C@H](c3ccccc3)CCCN12 ZINC000001579221 471392988 /nfs/dbraw/zinc/39/29/88/471392988.db2.gz LLIAAFMKKYUDMC-SFHVURJKSA-N 1 2 341.455 2.742 40 0 EFABLO O=C1C[N@H+](C2CCCCC2)CC(=O)N2[C@H](c3ccccc3)CCCN12 ZINC000001579221 471392994 /nfs/dbraw/zinc/39/29/94/471392994.db2.gz LLIAAFMKKYUDMC-SFHVURJKSA-N 1 2 341.455 2.742 40 0 EFABLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(C)cc1C ZINC000007908622 471646248 /nfs/dbraw/zinc/64/62/48/471646248.db2.gz XYIWVBYOQBKFDB-UHFFFAOYSA-N 1 2 343.452 2.940 40 0 EFABLO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc(OC)c1O ZINC000012186487 471767715 /nfs/dbraw/zinc/76/77/15/471767715.db2.gz WFSNNATUOOWRJL-XJKSGUPXSA-N 1 2 341.411 2.770 40 0 EFABLO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc(OC)c1O ZINC000012186487 471767721 /nfs/dbraw/zinc/76/77/21/471767721.db2.gz WFSNNATUOOWRJL-XJKSGUPXSA-N 1 2 341.411 2.770 40 0 EFABLO COc1ccc(COC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000012547446 471780540 /nfs/dbraw/zinc/78/05/40/471780540.db2.gz HVUNREKHXSRYFH-INIZCTEOSA-N 1 2 326.396 2.931 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(F)cc1 ZINC000012601900 471784821 /nfs/dbraw/zinc/78/48/21/471784821.db2.gz ORQQVAXVZHCCBF-QGZVFWFLSA-N 1 2 349.369 2.955 40 0 EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@H+](Cc2ccc(F)cc2)C1 ZINC000015674438 471914305 /nfs/dbraw/zinc/91/43/05/471914305.db2.gz HWPGRDWJFDTJSD-CVEARBPZSA-N 1 2 340.358 2.579 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000015674438 471914308 /nfs/dbraw/zinc/91/43/08/471914308.db2.gz HWPGRDWJFDTJSD-CVEARBPZSA-N 1 2 340.358 2.579 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@H+](Cc2ccccc2)C1 ZINC000015674608 471914437 /nfs/dbraw/zinc/91/44/37/471914437.db2.gz LJTYPNXBFKQJBA-MSOLQXFVSA-N 1 2 335.407 2.968 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)[N@@H+](Cc2ccccc2)C1 ZINC000015674608 471914440 /nfs/dbraw/zinc/91/44/40/471914440.db2.gz LJTYPNXBFKQJBA-MSOLQXFVSA-N 1 2 335.407 2.968 40 0 biogenic,in-vitro EFABLO O=C(c1ccco1)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000016336445 471930732 /nfs/dbraw/zinc/93/07/32/471930732.db2.gz XNKBNEKBWQMQCN-UHFFFAOYSA-N 1 2 344.802 2.539 40 0 EFABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](C[C@H](C)c1ccccc1)CC3 ZINC000019130189 471977735 /nfs/dbraw/zinc/97/77/35/471977735.db2.gz KPBVFHYCMXZRFR-AWEZNQCLSA-N 1 2 336.439 2.948 40 0 EFABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@@H+](C[C@H](C)c1ccccc1)CC3 ZINC000019130189 471977737 /nfs/dbraw/zinc/97/77/37/471977737.db2.gz KPBVFHYCMXZRFR-AWEZNQCLSA-N 1 2 336.439 2.948 40 0 EFABLO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000019573582 471981706 /nfs/dbraw/zinc/98/17/06/471981706.db2.gz FXGZZDHVTOXFGQ-CYBMUJFWSA-N 1 2 336.482 2.926 40 0 EFABLO CS(=O)(=O)c1cccnc1[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000019573582 471981712 /nfs/dbraw/zinc/98/17/12/471981712.db2.gz FXGZZDHVTOXFGQ-CYBMUJFWSA-N 1 2 336.482 2.926 40 0 EFABLO Cc1nn(C[C@H](C)c2cc(N3CCOCC3)nc(C)[nH+]2)c(C)c1C ZINC000019718023 471984544 /nfs/dbraw/zinc/98/45/44/471984544.db2.gz UZDUMRIDUQASSV-LBPRGKRZSA-N 1 2 329.448 2.547 40 0 EFABLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCC(O)CC1 ZINC000023993342 472042091 /nfs/dbraw/zinc/04/20/91/472042091.db2.gz MHMDFBWCZRBIMD-WDEREUQCSA-N 1 2 347.484 2.627 40 0 EFABLO Cc1cc(C)n(CCCNc2[nH+]cnc3c2cnn3-c2ccccn2)n1 ZINC000041529359 472067849 /nfs/dbraw/zinc/06/78/49/472067849.db2.gz VIJRLZAITFKOKS-UHFFFAOYSA-N 1 2 348.414 2.526 40 0 EFABLO Cc1cc(N)nc(S[C@@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000024841015 472070080 /nfs/dbraw/zinc/07/00/80/472070080.db2.gz UZBPCQHYHSOFOX-IWERZKIRSA-N 1 2 346.500 2.933 40 0 EFABLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000025173096 472083705 /nfs/dbraw/zinc/08/37/05/472083705.db2.gz IERJGUPDKSSNHV-UHFFFAOYSA-N 1 2 348.362 2.515 40 0 EFABLO COc1ccc([C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1F ZINC000025248761 472086908 /nfs/dbraw/zinc/08/69/08/472086908.db2.gz GKABUUMPWRAIAF-GFCCVEGCSA-N 1 2 340.358 2.906 40 0 EFABLO Brc1ccc2nc(NCC[NH+]3CCOCC3)sc2c1 ZINC000026424166 472136166 /nfs/dbraw/zinc/13/61/66/472136166.db2.gz ISHXAQHASGZJSY-UHFFFAOYSA-N 1 2 342.262 2.803 40 0 EFABLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2nccn2C)CC1 ZINC000075504026 472146609 /nfs/dbraw/zinc/14/66/09/472146609.db2.gz NYVQBQXAQBUDLU-ZDUSSCGKSA-N 1 2 332.835 2.593 40 0 EFABLO CC(C)(C)OC(=O)N1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000043220480 472210855 /nfs/dbraw/zinc/21/08/55/472210855.db2.gz RPTAFFVANGYTGC-OAHLLOKOSA-N 1 2 340.851 2.926 40 0 EFABLO CC[NH+]1CCN(C(=O)[C@H](C)Sc2nc3ccccc3nc2C)CC1 ZINC000028191138 472216045 /nfs/dbraw/zinc/21/60/45/472216045.db2.gz VCDRROMWQCEHBO-AWEZNQCLSA-N 1 2 344.484 2.583 40 0 EFABLO CCO[C@H](C)c1noc(CN2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000075916183 472222386 /nfs/dbraw/zinc/22/23/86/472222386.db2.gz CMKOOASQRPNJOW-CQSZACIVSA-N 1 2 348.422 2.624 40 0 EFABLO O=C(Nc1nc2c(s1)CCCC2)c1cc(-n2cc[nH+]c2)ccn1 ZINC000085472852 472252716 /nfs/dbraw/zinc/25/27/16/472252716.db2.gz SYKIXPGLFUTJDE-UHFFFAOYSA-N 1 2 325.397 2.855 40 0 EFABLO COC(=O)c1oc([C@H](C)[NH+]2CCN(Cc3cccnc3)CC2)cc1C ZINC000089268620 472402797 /nfs/dbraw/zinc/40/27/97/472402797.db2.gz BWZLTAXTEFOXHO-HNNXBMFYSA-N 1 2 343.427 2.648 40 0 EFABLO COC(=O)c1oc([C@H](C)N2CC[NH+](Cc3cccnc3)CC2)cc1C ZINC000089268620 472402804 /nfs/dbraw/zinc/40/28/04/472402804.db2.gz BWZLTAXTEFOXHO-HNNXBMFYSA-N 1 2 343.427 2.648 40 0 EFABLO CCc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cc1F ZINC000089274189 472404690 /nfs/dbraw/zinc/40/46/90/472404690.db2.gz OQUUUBWOFWBTGP-MRXNPFEDSA-N 1 2 335.423 2.717 40 0 EFABLO CS[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000097096479 472443542 /nfs/dbraw/zinc/44/35/42/472443542.db2.gz HEOLKGHWMZIXSI-WBVHZDCISA-N 1 2 348.516 2.583 40 0 EFABLO Cc1ccc(C(=O)CC[N@@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cc1 ZINC000097099782 472446123 /nfs/dbraw/zinc/44/61/23/472446123.db2.gz FBUKQYHCHQVMEE-IBGZPJMESA-N 1 2 327.428 2.549 40 0 EFABLO Cc1ccc(C(=O)CC[N@H+]2CCO[C@](C)(c3cnn(C)c3)C2)cc1 ZINC000097099782 472446132 /nfs/dbraw/zinc/44/61/32/472446132.db2.gz FBUKQYHCHQVMEE-IBGZPJMESA-N 1 2 327.428 2.549 40 0 EFABLO Cn1c(C[N@@H+]2CCOC[C@H](Oc3ccccc3)C2)nc2ccccc21 ZINC000077265857 472490241 /nfs/dbraw/zinc/49/02/41/472490241.db2.gz YBPOWBORXQRZBO-QGZVFWFLSA-N 1 2 337.423 2.853 40 0 biogenic,in-vitro EFABLO Cn1c(C[N@H+]2CCOC[C@H](Oc3ccccc3)C2)nc2ccccc21 ZINC000077265857 472490248 /nfs/dbraw/zinc/49/02/48/472490248.db2.gz YBPOWBORXQRZBO-QGZVFWFLSA-N 1 2 337.423 2.853 40 0 biogenic,in-vitro EFABLO CC(C)OCCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000097378482 472494573 /nfs/dbraw/zinc/49/45/73/472494573.db2.gz UCYQXKHFKNFHOO-CQSZACIVSA-N 1 2 325.478 2.561 40 0 EFABLO COCc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000046033221 472498743 /nfs/dbraw/zinc/49/87/43/472498743.db2.gz NADIOMSLIHPDHI-UHFFFAOYSA-N 1 2 326.400 2.582 40 0 EFABLO CCC[NH+](CCC)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000058158631 472509238 /nfs/dbraw/zinc/50/92/38/472509238.db2.gz GAQJTPMNNIIRJE-UHFFFAOYSA-N 1 2 348.415 2.743 40 0 EFABLO CC[NH+](CC)Cc1nnc2sc(C(Cl)(Cl)Cl)nn12 ZINC000071260582 472545655 /nfs/dbraw/zinc/54/56/55/472545655.db2.gz YVRJJUHILSOYKU-UHFFFAOYSA-N 1 2 328.656 2.854 40 0 EFABLO O=C(NCCCCNc1cccc[nH+]1)C(=O)Nc1ccccc1Cl ZINC000077836337 472627155 /nfs/dbraw/zinc/62/71/55/472627155.db2.gz XBDCTOZOFAYNHG-UHFFFAOYSA-N 1 2 346.818 2.682 40 0 EFABLO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc[nH+]c2N)cc1 ZINC000072212455 472633556 /nfs/dbraw/zinc/63/35/56/472633556.db2.gz YRXCHCOFYLGCDB-INIZCTEOSA-N 1 2 331.441 2.888 40 0 EFABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc[nH+]c2N)cc1 ZINC000072212454 472633597 /nfs/dbraw/zinc/63/35/97/472633597.db2.gz YRXCHCOFYLGCDB-MRXNPFEDSA-N 1 2 331.441 2.888 40 0 EFABLO O=S(=O)(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccccc1F ZINC000047031893 472646276 /nfs/dbraw/zinc/64/62/76/472646276.db2.gz GYXNPGRBEQMBSM-CQSZACIVSA-N 1 2 338.404 2.534 40 0 EFABLO C[C@@H]1CN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000047569669 472732032 /nfs/dbraw/zinc/73/20/32/472732032.db2.gz GOEYPZCIMMXAFT-OAGGEKHMSA-N 1 2 347.459 2.548 40 0 EFABLO C[C@@H]1CN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000047569669 472732035 /nfs/dbraw/zinc/73/20/35/472732035.db2.gz GOEYPZCIMMXAFT-OAGGEKHMSA-N 1 2 347.459 2.548 40 0 EFABLO Cc1noc(C2CC2)c1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000156629140 472734412 /nfs/dbraw/zinc/73/44/12/472734412.db2.gz KYMILGBZBHRYJZ-INIZCTEOSA-N 1 2 341.411 2.700 40 0 EFABLO Cc1noc(C2CC2)c1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000156629140 472734414 /nfs/dbraw/zinc/73/44/14/472734414.db2.gz KYMILGBZBHRYJZ-INIZCTEOSA-N 1 2 341.411 2.700 40 0 EFABLO Cc1ncc(/C=C/C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000078996341 472802489 /nfs/dbraw/zinc/80/24/89/472802489.db2.gz MYUCJQOKHLHPQQ-VOTSOKGWSA-N 1 2 342.468 2.987 40 0 EFABLO COc1ccc(C[NH+]2CCN(C(=O)c3sc(C)nc3C)CC2)cc1 ZINC000048234294 472836215 /nfs/dbraw/zinc/83/62/15/472836215.db2.gz QITAIMTVNQAKKP-UHFFFAOYSA-N 1 2 345.468 2.727 40 0 EFABLO CC1CCN(c2ccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)cn2)CC1 ZINC000079304570 472846136 /nfs/dbraw/zinc/84/61/36/472846136.db2.gz ZIPFLBBJSDKOLC-LJQANCHMSA-N 1 2 338.455 2.634 40 0 EFABLO Cc1noc(C)c1CN1C[C@@H]([N@H+](C)Cc2ccco2)[C@H]2OCCC[C@H]21 ZINC000107204562 472933367 /nfs/dbraw/zinc/93/33/67/472933367.db2.gz ANFVCLGBMMTDHL-QRVBRYPASA-N 1 2 345.443 2.748 40 0 EFABLO Cc1noc(C)c1CN1C[C@@H]([N@@H+](C)Cc2ccco2)[C@H]2OCCC[C@H]21 ZINC000107204562 472933374 /nfs/dbraw/zinc/93/33/74/472933374.db2.gz ANFVCLGBMMTDHL-QRVBRYPASA-N 1 2 345.443 2.748 40 0 EFABLO CCc1cnc(CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000074842437 473076246 /nfs/dbraw/zinc/07/62/46/473076246.db2.gz HYIMYZWBQRPFIG-GFCCVEGCSA-N 1 2 333.461 2.560 40 0 EFABLO Cc1nnc(C2CC[NH+](CC(=O)N(C)c3ccccc3)CC2)s1 ZINC000075165425 473144589 /nfs/dbraw/zinc/14/45/89/473144589.db2.gz NQBIMOOSXSMWFQ-UHFFFAOYSA-N 1 2 330.457 2.689 40 0 EFABLO Cn1cc[nH+]c1C[C@@H](NC(=O)Cc1ccccc1O)c1ccccc1 ZINC000075213009 473150697 /nfs/dbraw/zinc/15/06/97/473150697.db2.gz HCDJSJYPYVSWIV-QGZVFWFLSA-N 1 2 335.407 2.768 40 0 EFABLO Cc1ccc(C[NH+]2CCOCC2)cc1NS(=O)(=O)c1ccccc1 ZINC000096416295 473395583 /nfs/dbraw/zinc/39/55/83/473395583.db2.gz QHUNCKZHHJRNPQ-UHFFFAOYSA-N 1 2 346.452 2.628 40 0 EFABLO C[C@@H](c1cccnc1)N1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000096424308 473402670 /nfs/dbraw/zinc/40/26/70/473402670.db2.gz ATRFTBDBEAFKDS-LIRRHRJNSA-N 1 2 347.409 2.772 40 0 EFABLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)nn1C ZINC000096425997 473404655 /nfs/dbraw/zinc/40/46/55/473404655.db2.gz HCQYBUQSSPRRHG-CQSZACIVSA-N 1 2 346.862 2.901 40 0 EFABLO C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nc1)Oc1cccc(F)c1 ZINC000096426773 473405995 /nfs/dbraw/zinc/40/59/95/473405995.db2.gz LNRLLCAMZCFSSI-CYBMUJFWSA-N 1 2 340.358 2.604 40 0 EFABLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2csnn2)CC1 ZINC000096426832 473406493 /nfs/dbraw/zinc/40/64/93/473406493.db2.gz IKVUVZGACPJWIV-NSHDSACASA-N 1 2 336.848 2.711 40 0 EFABLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@H](c2ccccc2)CO1 ZINC000096433377 473411199 /nfs/dbraw/zinc/41/11/99/473411199.db2.gz PFUDVIIQIYTGNE-QAPCUYQASA-N 1 2 348.406 2.870 40 0 EFABLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@@H](c2ccccc2)CO1 ZINC000096433380 473411227 /nfs/dbraw/zinc/41/12/27/473411227.db2.gz PFUDVIIQIYTGNE-MAUKXSAKSA-N 1 2 348.406 2.870 40 0 EFABLO C[C@@H]1CCCN1C(=O)CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000096435685 473414898 /nfs/dbraw/zinc/41/48/98/473414898.db2.gz ORZQFRXIYUAZHA-ZAOIQFLMSA-N 1 2 341.499 2.718 40 0 EFABLO NC(=O)[C@H]([NH2+]Cc1ccsc1)c1ccc(Br)cc1F ZINC000096436962 473416885 /nfs/dbraw/zinc/41/68/85/473416885.db2.gz SYHDKWHTDHEPFN-GFCCVEGCSA-N 1 2 343.221 2.966 40 0 EFABLO CS[C@H]1CC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000096439408 473417762 /nfs/dbraw/zinc/41/77/62/473417762.db2.gz ZESMLMCSAHXCHJ-GJZGRUSLSA-N 1 2 330.457 2.956 40 0 EFABLO Cc1cnc(CNC(=O)NCc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000096440346 473419092 /nfs/dbraw/zinc/41/90/92/473419092.db2.gz GFHBVNOFIHOPET-UHFFFAOYSA-N 1 2 327.413 2.637 40 0 EFABLO C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cc(=O)c(O)co2)CC1 ZINC000096441556 473420258 /nfs/dbraw/zinc/42/02/58/473420258.db2.gz SLQXCVRMGUVXLA-CYBMUJFWSA-N 1 2 348.830 2.878 40 0 EFABLO CN(Cc1[nH+]ccn1Cc1ccccc1)[C@@H](C(N)=O)c1ccccc1 ZINC000096443511 473420785 /nfs/dbraw/zinc/42/07/85/473420785.db2.gz VNYNERWOGCAMIF-LJQANCHMSA-N 1 2 334.423 2.590 40 0 EFABLO COc1ccc(/C(C)=C/C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)cc1 ZINC000096454119 473430264 /nfs/dbraw/zinc/43/02/64/473430264.db2.gz BOERITOMRXEEQG-RVDMUPIBSA-N 1 2 348.406 2.996 40 0 EFABLO CCNc1nc(C(=O)NCc2[nH+]ccn2Cc2ccccc2)cs1 ZINC000096481526 473442057 /nfs/dbraw/zinc/44/20/57/473442057.db2.gz BIAWALONTYHRMI-UHFFFAOYSA-N 1 2 341.440 2.750 40 0 EFABLO Cn1cc[nH+]c1CNC(=O)N1CCC(Oc2ccccc2Cl)CC1 ZINC000096484055 473443700 /nfs/dbraw/zinc/44/37/00/473443700.db2.gz JAFLAMSLKUMSBC-UHFFFAOYSA-N 1 2 348.834 2.827 40 0 EFABLO c1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000096490829 473447718 /nfs/dbraw/zinc/44/77/18/473447718.db2.gz QFGZGFIIPYKBMH-LJQANCHMSA-N 1 2 341.455 2.717 40 0 EFABLO CCc1nnc(Cn2cc[nH+]c2-c2cncc(Br)c2)o1 ZINC000096501941 473453821 /nfs/dbraw/zinc/45/38/21/473453821.db2.gz WONQTAHHGHFZTR-UHFFFAOYSA-N 1 2 334.177 2.701 40 0 EFABLO C[C@@H](NCc1nc(C2CCCC2)no1)C1([NH+]2CCOCC2)CCCC1 ZINC000125930221 473472424 /nfs/dbraw/zinc/47/24/24/473472424.db2.gz XBCBTHMRFMBSFR-OAHLLOKOSA-N 1 2 348.491 2.850 40 0 EFABLO COCc1noc([C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000192127937 473632347 /nfs/dbraw/zinc/63/23/47/473632347.db2.gz MPUCJLKDKXOZPJ-DYQSUWPFSA-N 1 2 339.342 2.675 40 0 EFABLO CCc1nnc([C@H]2C[N@H+](CCSCc3ccccc3)CCO2)[nH]1 ZINC000192605059 473696065 /nfs/dbraw/zinc/69/60/65/473696065.db2.gz WNEGBTAEFSQHQI-OAHLLOKOSA-N 1 2 332.473 2.674 40 0 EFABLO CCc1nnc([C@H]2C[N@@H+](CCSCc3ccccc3)CCO2)[nH]1 ZINC000192605059 473696067 /nfs/dbraw/zinc/69/60/67/473696067.db2.gz WNEGBTAEFSQHQI-OAHLLOKOSA-N 1 2 332.473 2.674 40 0 EFABLO COc1cc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)ccc1O ZINC000194994490 473987846 /nfs/dbraw/zinc/98/78/46/473987846.db2.gz QZRWLYJSHQZQMI-CYBMUJFWSA-N 1 2 333.457 2.736 40 0 EFABLO Cc1n[nH]c(C)c1[C@H](C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000195560052 474095836 /nfs/dbraw/zinc/09/58/36/474095836.db2.gz VZPVKZMBTNDROA-LBPRGKRZSA-N 1 2 337.427 2.907 40 0 EFABLO CC(C)[C@@H](OC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nccn1C ZINC000195576408 474099888 /nfs/dbraw/zinc/09/98/88/474099888.db2.gz UUPNVZRSIWAYFC-OAHLLOKOSA-N 1 2 325.372 2.555 40 0 EFABLO Cc1ccc([NH+]2CCC(C(=O)Nc3ccccc3C(N)=O)CC2)cc1 ZINC000219859780 474149828 /nfs/dbraw/zinc/14/98/28/474149828.db2.gz YZDISUMTEHHUJV-UHFFFAOYSA-N 1 2 337.423 2.949 40 0 EFABLO Fc1cccnc1OCC[C@@H]1CCOC12C[NH+](Cc1ccco1)C2 ZINC000247506390 474167315 /nfs/dbraw/zinc/16/73/15/474167315.db2.gz HBPUDPNUIGLZRX-CQSZACIVSA-N 1 2 332.375 2.874 40 0 EFABLO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC[NH+]1CCOCC1 ZINC000222926514 474177416 /nfs/dbraw/zinc/17/74/16/474177416.db2.gz SMDXPGWWPGHHSU-SFHVURJKSA-N 1 2 348.487 2.590 40 0 EFABLO Fc1cccnc1OC[C@@H]1CCOC12C[NH+](Cc1ccsc1)C2 ZINC000247552951 474180261 /nfs/dbraw/zinc/18/02/61/474180261.db2.gz WJNBOJVURAUCMM-AWEZNQCLSA-N 1 2 334.416 2.952 40 0 EFABLO Fc1cccnc1OC[C@H]1CCOC12C[NH+](Cc1cccs1)C2 ZINC000247561156 474183128 /nfs/dbraw/zinc/18/31/28/474183128.db2.gz YUAQOEIJGNBFQM-CYBMUJFWSA-N 1 2 334.416 2.952 40 0 EFABLO Cc1cnc2c(cccc2S(=O)(=O)N2CCc3c[nH+]ccc32)c1 ZINC000175315467 474188293 /nfs/dbraw/zinc/18/82/93/474188293.db2.gz IKAAIKDSGVHSNO-UHFFFAOYSA-N 1 2 325.393 2.690 40 0 EFABLO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCCn1cc[nH+]c1 ZINC000224063631 474193407 /nfs/dbraw/zinc/19/34/07/474193407.db2.gz BHNDIHLYMFIWEA-OAHLLOKOSA-N 1 2 327.428 2.736 40 0 EFABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Cc1ccccc1 ZINC000224356096 474197176 /nfs/dbraw/zinc/19/71/76/474197176.db2.gz DDPKSWXDWODYQS-UHFFFAOYSA-N 1 2 339.443 2.714 40 0 EFABLO Oc1cccc(C[NH+]2CCN(C(=S)Nc3ccccc3)CC2)c1 ZINC000225219689 474205076 /nfs/dbraw/zinc/20/50/76/474205076.db2.gz DDWKRSIXQMGHLB-UHFFFAOYSA-N 1 2 327.453 2.907 40 0 EFABLO [NH3+]C[C@@H](c1ccc(OCc2ccccc2)cc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247749587 474206654 /nfs/dbraw/zinc/20/66/54/474206654.db2.gz RLESGJVQEIMGDD-MJGOQNOKSA-N 1 2 340.423 2.672 40 0 EFABLO [NH3+]C[C@@H](c1ccc(OCc2ccccc2)cc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247749587 474206661 /nfs/dbraw/zinc/20/66/61/474206661.db2.gz RLESGJVQEIMGDD-MJGOQNOKSA-N 1 2 340.423 2.672 40 0 EFABLO Cc1ccc(F)c(N2CCC(NC(=O)CCc3c[nH+]cn3C)CC2)c1 ZINC000225424197 474211564 /nfs/dbraw/zinc/21/15/64/474211564.db2.gz WWMCIJKIXHWPCD-UHFFFAOYSA-N 1 2 344.434 2.585 40 0 EFABLO c1cc(COCC[C@H]2CCOC23C[NH+](Cc2ccncc2)C3)ccn1 ZINC000247824505 474214366 /nfs/dbraw/zinc/21/43/66/474214366.db2.gz FGYAOQWRBPCJLL-IBGZPJMESA-N 1 2 339.439 2.674 40 0 EFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@@H](Oc1cccnc1)CS2 ZINC000247816926 474214435 /nfs/dbraw/zinc/21/44/35/474214435.db2.gz BPXFXIHJZYMREH-MRXNPFEDSA-N 1 2 343.452 2.624 40 0 EFABLO c1cc(COCC[C@@H]2CCOC23C[NH+](Cc2ccncc2)C3)ccn1 ZINC000247824509 474214906 /nfs/dbraw/zinc/21/49/06/474214906.db2.gz FGYAOQWRBPCJLL-LJQANCHMSA-N 1 2 339.439 2.674 40 0 EFABLO Cc1nc(C)c(CCNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)s1 ZINC000225478645 474216467 /nfs/dbraw/zinc/21/64/67/474216467.db2.gz QNKTYDVFBNAMKR-AWEZNQCLSA-N 1 2 347.488 2.556 40 0 EFABLO Cc1nc(C)c(CCNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)s1 ZINC000225478645 474216474 /nfs/dbraw/zinc/21/64/74/474216474.db2.gz QNKTYDVFBNAMKR-AWEZNQCLSA-N 1 2 347.488 2.556 40 0 EFABLO Nc1[nH+]cnc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1Cl ZINC000225485020 474217022 /nfs/dbraw/zinc/21/70/22/474217022.db2.gz MZDXINJCRDLCEH-QMMMGPOBSA-N 1 2 346.744 2.769 40 0 EFABLO Nc1nc[nH+]c(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1Cl ZINC000225485020 474217029 /nfs/dbraw/zinc/21/70/29/474217029.db2.gz MZDXINJCRDLCEH-QMMMGPOBSA-N 1 2 346.744 2.769 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3COc2ncccc2F)n1 ZINC000247863604 474217230 /nfs/dbraw/zinc/21/72/30/474217230.db2.gz HLLIVZBRJODILF-OAHLLOKOSA-N 1 2 343.402 2.594 40 0 EFABLO CCOC(=O)c1cccc(NC(=S)NCCCn2cc[nH+]c2)c1C ZINC000225521476 474221601 /nfs/dbraw/zinc/22/16/01/474221601.db2.gz FRCDNHZXCFRUFR-UHFFFAOYSA-N 1 2 346.456 2.745 40 0 EFABLO O=C(Nc1ccn(Cc2ccccc2)n1)C1CC[NH+](CC(F)F)CC1 ZINC000225557533 474224626 /nfs/dbraw/zinc/22/46/26/474224626.db2.gz TYSZYPGPKRAPSW-UHFFFAOYSA-N 1 2 348.397 2.847 40 0 EFABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)no1 ZINC000247925822 474225339 /nfs/dbraw/zinc/22/53/39/474225339.db2.gz PEQGGZMRCSLKPX-INIZCTEOSA-N 1 2 331.441 2.655 40 0 EFABLO C[C@@H](C[C@@H](O)c1cccs1)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000225562842 474225978 /nfs/dbraw/zinc/22/59/78/474225978.db2.gz LPTLAGMAHDNYNW-WCQYABFASA-N 1 2 346.443 2.653 40 0 EFABLO COc1cc(CNC(=S)Nc2cc[nH+]cc2)cc(OC)c1OC ZINC000225574616 474226467 /nfs/dbraw/zinc/22/64/67/474226467.db2.gz BHBQYZGEOVIFAG-UHFFFAOYSA-N 1 2 333.413 2.594 40 0 EFABLO c1csc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)c1 ZINC000247931140 474227412 /nfs/dbraw/zinc/22/74/12/474227412.db2.gz FUQYROUUKPNUOF-INIZCTEOSA-N 1 2 337.485 2.925 40 0 EFABLO COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000225609457 474229228 /nfs/dbraw/zinc/22/92/28/474229228.db2.gz LNMQBHRORAAVSI-HYVNUMGLSA-N 1 2 339.439 2.938 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)c1 ZINC000247948194 474229851 /nfs/dbraw/zinc/22/98/51/474229851.db2.gz XFCCHKCHRCGVOM-KRWDZBQOSA-N 1 2 325.412 2.597 40 0 EFABLO Cc1cnn([C@@H]2CCCN(C(=O)NCc3[nH+]ccn3CC(C)C)C2)c1 ZINC000175473235 474229875 /nfs/dbraw/zinc/22/98/75/474229875.db2.gz HZDSBNLBSSEWQE-MRXNPFEDSA-N 1 2 344.463 2.591 40 0 EFABLO Cc1nc(CO[C@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)cs1 ZINC000248044642 474250247 /nfs/dbraw/zinc/25/02/47/474250247.db2.gz QAGNONUSGHMIJE-KRWDZBQOSA-N 1 2 345.468 2.797 40 0 EFABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2cnccn2)CCO3)s1 ZINC000248076019 474256987 /nfs/dbraw/zinc/25/69/87/474256987.db2.gz HLDKUWFFPDAWIS-AWEZNQCLSA-N 1 2 331.441 2.659 40 0 EFABLO c1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCOc2cccnc2)nc1 ZINC000248087979 474259592 /nfs/dbraw/zinc/25/95/92/474259592.db2.gz KTQUSTPVBYWFDA-MRXNPFEDSA-N 1 2 325.412 2.537 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccco2)o1 ZINC000248115914 474261041 /nfs/dbraw/zinc/26/10/41/474261041.db2.gz SJHIGZIRBYYGOT-YXJHDRRASA-N 1 2 344.411 2.590 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccco2)o1 ZINC000248115914 474261049 /nfs/dbraw/zinc/26/10/49/474261049.db2.gz SJHIGZIRBYYGOT-YXJHDRRASA-N 1 2 344.411 2.590 40 0 EFABLO Cn1cc(C[NH+]2CCN(Cc3ccon3)CC2)c(C2CCCCC2)n1 ZINC000183088505 474323649 /nfs/dbraw/zinc/32/36/49/474323649.db2.gz VAOXBENJCTWSNA-UHFFFAOYSA-N 1 2 343.475 2.774 40 0 EFABLO COc1ccccc1CC(=O)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000239611776 474545868 /nfs/dbraw/zinc/54/58/68/474545868.db2.gz FENISNHKKRKHOB-UHFFFAOYSA-N 1 2 326.396 2.703 40 0 EFABLO Cc1nc(N2CCC(NC(=O)c3ccsc3)CC2)c(C)c(C)[nH+]1 ZINC000240894814 474551485 /nfs/dbraw/zinc/55/14/85/474551485.db2.gz IQDOJILDKGNOKC-UHFFFAOYSA-N 1 2 330.457 2.862 40 0 EFABLO O=C(/C=C/c1ccco1)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000245053436 474570696 /nfs/dbraw/zinc/57/06/96/474570696.db2.gz OUKTWPKTOHUAPO-OAHLLOKOSA-N 1 2 332.425 2.792 40 0 EFABLO c1ccc([C@H]2OCC[C@@H]2Nc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000277704928 474594143 /nfs/dbraw/zinc/59/41/43/474594143.db2.gz GTQHUPQUAIHLQZ-MAUKXSAKSA-N 1 2 342.468 2.972 40 0 EFABLO c1ccc([C@H]2OCC[C@@H]2Nc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000277704928 474594149 /nfs/dbraw/zinc/59/41/49/474594149.db2.gz GTQHUPQUAIHLQZ-MAUKXSAKSA-N 1 2 342.468 2.972 40 0 EFABLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)c1ccc(C)cc1 ZINC000252481312 474668219 /nfs/dbraw/zinc/66/82/19/474668219.db2.gz CITWZZUAIUUUGQ-KSZLIROESA-N 1 2 331.460 2.561 40 0 EFABLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccc(C)cc1 ZINC000252481312 474668230 /nfs/dbraw/zinc/66/82/30/474668230.db2.gz CITWZZUAIUUUGQ-KSZLIROESA-N 1 2 331.460 2.561 40 0 EFABLO CCOc1ccccc1C[N@@H+]1CCN(Cc2nnc(C)s2)[C@H](C)C1 ZINC000252483819 474669372 /nfs/dbraw/zinc/66/93/72/474669372.db2.gz FJBYBJBRMUWKMT-CQSZACIVSA-N 1 2 346.500 2.952 40 0 EFABLO CCOc1ccccc1C[N@H+]1CCN(Cc2nnc(C)s2)[C@H](C)C1 ZINC000252483819 474669374 /nfs/dbraw/zinc/66/93/74/474669374.db2.gz FJBYBJBRMUWKMT-CQSZACIVSA-N 1 2 346.500 2.952 40 0 EFABLO O=C(COc1ccccc1)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000253394320 474733588 /nfs/dbraw/zinc/73/35/88/474733588.db2.gz AYNIBNYUZCCLGS-INIZCTEOSA-N 1 2 346.452 2.565 40 0 EFABLO O=C([C@H]1Cc2ccccc2CO1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000253405152 474739374 /nfs/dbraw/zinc/73/93/74/474739374.db2.gz RWUTUFNKZSQWBM-LJQANCHMSA-N 1 2 338.407 2.593 40 0 EFABLO Cc1[nH]ncc1C[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000253418725 474744200 /nfs/dbraw/zinc/74/42/00/474744200.db2.gz NFPXDKKIGMYRHH-ZDUSSCGKSA-N 1 2 340.349 2.985 40 0 EFABLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nnc(C)s3)ccc2NC1=O ZINC000253417725 474744760 /nfs/dbraw/zinc/74/47/60/474744760.db2.gz ALQBMHDFMNTWEI-RNCFNFMXSA-N 1 2 332.429 2.807 40 0 EFABLO Nc1[nH+]cnc(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1Cl ZINC000253418091 474745975 /nfs/dbraw/zinc/74/59/75/474745975.db2.gz JKSOKASOTXWLDR-STQMWFEESA-N 1 2 336.798 2.944 40 0 EFABLO Nc1nc[nH+]c(N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)c1Cl ZINC000253418091 474745983 /nfs/dbraw/zinc/74/59/83/474745983.db2.gz JKSOKASOTXWLDR-STQMWFEESA-N 1 2 336.798 2.944 40 0 EFABLO C[C@H]1COc2ccccc2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000253427660 474753562 /nfs/dbraw/zinc/75/35/62/474753562.db2.gz XSTJVIHCWNRVBN-AWEZNQCLSA-N 1 2 340.427 2.640 40 0 EFABLO O=C(NCc1cc[nH+]c(NC2CC2)c1)c1ncccc1Br ZINC000253428525 474754183 /nfs/dbraw/zinc/75/41/83/474754183.db2.gz DJYOIOFXJNKHLK-UHFFFAOYSA-N 1 2 347.216 2.743 40 0 EFABLO CO[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1 ZINC000253433293 474757859 /nfs/dbraw/zinc/75/78/59/474757859.db2.gz VGQJGNGGPDYWGW-QGZVFWFLSA-N 1 2 346.406 2.826 40 0 EFABLO CO[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC000253433293 474757867 /nfs/dbraw/zinc/75/78/67/474757867.db2.gz VGQJGNGGPDYWGW-QGZVFWFLSA-N 1 2 346.406 2.826 40 0 EFABLO Cc1ccnc(O[C@H]2CCOC3(C[NH+](Cc4cccc(F)c4)C3)C2)n1 ZINC000253476565 474761176 /nfs/dbraw/zinc/76/11/76/474761176.db2.gz AEHQCUXICUDBPF-KRWDZBQOSA-N 1 2 343.402 2.737 40 0 EFABLO CN1CC[N@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306128137 474806501 /nfs/dbraw/zinc/80/65/01/474806501.db2.gz GRCVCJNKYVUACO-GOSISDBHSA-N 1 2 339.487 2.633 40 0 EFABLO CN1CC[N@@H+](CC2CC2)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306128137 474806510 /nfs/dbraw/zinc/80/65/10/474806510.db2.gz GRCVCJNKYVUACO-GOSISDBHSA-N 1 2 339.487 2.633 40 0 EFABLO Cc1cc(C(=O)N2CC[C@H]3CCN(c4cccc[nH+]4)[C@H]3CC2)no1 ZINC000306126996 474807895 /nfs/dbraw/zinc/80/78/95/474807895.db2.gz FLFGNMVWHJCMTB-HOCLYGCPSA-N 1 2 326.400 2.509 40 0 EFABLO COc1ccc([C@@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2cnco2)cc1 ZINC000257214258 474925274 /nfs/dbraw/zinc/92/52/74/474925274.db2.gz CLGQKECFFPYWMK-HNNXBMFYSA-N 1 2 338.367 2.585 40 0 EFABLO COc1ccccc1CC(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257279036 474926628 /nfs/dbraw/zinc/92/66/28/474926628.db2.gz OESYDAYGQMDMKN-KRWDZBQOSA-N 1 2 339.439 2.760 40 0 EFABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)cc[nH+]1 ZINC000257289853 474933557 /nfs/dbraw/zinc/93/35/57/474933557.db2.gz QALMKDCMGIVASC-HNNXBMFYSA-N 1 2 335.404 2.788 40 0 EFABLO CN(C)c1cc([C@H]2CCCN2S(=O)(=O)c2ccccc2)cc[nH+]1 ZINC000257291407 474936741 /nfs/dbraw/zinc/93/67/41/474936741.db2.gz QGVBOZPEWVHELR-MRXNPFEDSA-N 1 2 331.441 2.673 40 0 EFABLO Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257298325 474938556 /nfs/dbraw/zinc/93/85/56/474938556.db2.gz RLFKRCFGLPNCHV-MRXNPFEDSA-N 1 2 349.438 2.525 40 0 EFABLO C[N@@H+]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1c1ccccc1 ZINC000257295345 474938887 /nfs/dbraw/zinc/93/88/87/474938887.db2.gz QXYFTODPIYSYEJ-KRWDZBQOSA-N 1 2 348.402 2.922 40 0 EFABLO C[N@H+]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1c1ccccc1 ZINC000257295345 474938894 /nfs/dbraw/zinc/93/88/94/474938894.db2.gz QXYFTODPIYSYEJ-KRWDZBQOSA-N 1 2 348.402 2.922 40 0 EFABLO Cc1cn(C)c([C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257295508 474939048 /nfs/dbraw/zinc/93/90/48/474939048.db2.gz QYPAAGQAPNSLNV-AWEZNQCLSA-N 1 2 343.456 2.754 40 0 EFABLO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257295508 474939052 /nfs/dbraw/zinc/93/90/52/474939052.db2.gz QYPAAGQAPNSLNV-AWEZNQCLSA-N 1 2 343.456 2.754 40 0 EFABLO CCn1ccnc1C[NH+]1CC2(C1)CO[C@H](Cc1cccc(F)c1)C2 ZINC000257301523 474943309 /nfs/dbraw/zinc/94/33/09/474943309.db2.gz RYVMBZVVOPBKAF-QGZVFWFLSA-N 1 2 329.419 2.876 40 0 EFABLO CCn1cc[nH+]c1CN1CC2(C1)CO[C@H](Cc1cccc(F)c1)C2 ZINC000257301523 474943316 /nfs/dbraw/zinc/94/33/16/474943316.db2.gz RYVMBZVVOPBKAF-QGZVFWFLSA-N 1 2 329.419 2.876 40 0 EFABLO Cc1cccc2nc(C(=O)N(C)[C@H]3CCCN(c4cccc[nH+]4)C3)cn21 ZINC000257309295 474944611 /nfs/dbraw/zinc/94/46/11/474944611.db2.gz UAIZEFUUAGKZSY-INIZCTEOSA-N 1 2 349.438 2.779 40 0 EFABLO COc1ccc([C@@H]2C[N@H+](Cc3ccc(C)nc3)CCN2C(C)=O)cc1 ZINC000257312953 474948486 /nfs/dbraw/zinc/94/84/86/474948486.db2.gz UQJWWBGQNDBMTK-FQEVSTJZSA-N 1 2 339.439 2.804 40 0 EFABLO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C)nc3)CCN2C(C)=O)cc1 ZINC000257312953 474948494 /nfs/dbraw/zinc/94/84/94/474948494.db2.gz UQJWWBGQNDBMTK-FQEVSTJZSA-N 1 2 339.439 2.804 40 0 EFABLO Cc1noc(C)c1CC(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257319870 474950636 /nfs/dbraw/zinc/95/06/36/474950636.db2.gz VUJUPLRPXYYGDN-KRWDZBQOSA-N 1 2 336.395 2.814 40 0 EFABLO Cc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257318636 474951073 /nfs/dbraw/zinc/95/10/73/474951073.db2.gz VOUQFWBLZPTIOC-QWFCFKBJSA-N 1 2 341.455 2.737 40 0 EFABLO Cc1nc(N2CCC[C@H](c3cn4cccc4c(N(C)C)n3)C2)cc[nH+]1 ZINC000257319339 474952029 /nfs/dbraw/zinc/95/20/29/474952029.db2.gz VRYMVSQJICNSTF-HNNXBMFYSA-N 1 2 336.443 2.883 40 0 EFABLO CCOc1ncccc1C(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257320967 474952543 /nfs/dbraw/zinc/95/25/43/474952543.db2.gz VZNXXJLDOZPPQB-INIZCTEOSA-N 1 2 340.427 2.919 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2c[nH]c3ccccc23)[nH+]1 ZINC000257322920 474952564 /nfs/dbraw/zinc/95/25/64/474952564.db2.gz WIAJWHRZHLTFBE-KRWDZBQOSA-N 1 2 338.411 2.732 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257322160 474954116 /nfs/dbraw/zinc/95/41/16/474954116.db2.gz WEURKYUVWQLBIZ-OAHLLOKOSA-N 1 2 341.411 2.520 40 0 EFABLO Cc1ccc(Br)cc1-c1noc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000331677037 475373917 /nfs/dbraw/zinc/37/39/17/475373917.db2.gz OZCBULGLGRQKLK-LBPRGKRZSA-N 1 2 338.205 2.811 40 0 EFABLO Cc1ccc(Br)cc1-c1noc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000331677037 475373924 /nfs/dbraw/zinc/37/39/24/475373924.db2.gz OZCBULGLGRQKLK-LBPRGKRZSA-N 1 2 338.205 2.811 40 0 EFABLO OC[C@@H]1CCCN1c1cc(N2Cc3ccc(Cl)cc3C2)nc[nH+]1 ZINC000334112944 476116631 /nfs/dbraw/zinc/11/66/31/476116631.db2.gz DOOAYABXRNPJFM-HNNXBMFYSA-N 1 2 330.819 2.611 40 0 EFABLO OC[C@@H]1CCCN1c1cc(N2Cc3ccc(Cl)cc3C2)[nH+]cn1 ZINC000334112944 476116638 /nfs/dbraw/zinc/11/66/38/476116638.db2.gz DOOAYABXRNPJFM-HNNXBMFYSA-N 1 2 330.819 2.611 40 0 EFABLO S=C(Nc1ccc2conc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000409193511 476980471 /nfs/dbraw/zinc/98/04/71/476980471.db2.gz FAGWBWDJPUZNJU-UHFFFAOYSA-N 1 2 339.424 2.742 40 0 EFABLO Cn1cnc2c1C[C@H](COc1ncccc1F)[N@@H+](C1CCCC1)C2 ZINC000585094756 479279360 /nfs/dbraw/zinc/27/93/60/479279360.db2.gz KWSNMGCMAFXAQS-CQSZACIVSA-N 1 2 330.407 2.703 40 0 EFABLO Cn1cnc2c1C[C@H](COc1ncccc1F)[N@H+](C1CCCC1)C2 ZINC000585094756 479279366 /nfs/dbraw/zinc/27/93/66/479279366.db2.gz KWSNMGCMAFXAQS-CQSZACIVSA-N 1 2 330.407 2.703 40 0 EFABLO Cn1c[nH+]c2c1C[C@H](COc1ncccc1F)N(C1CCCC1)C2 ZINC000585094756 479279370 /nfs/dbraw/zinc/27/93/70/479279370.db2.gz KWSNMGCMAFXAQS-CQSZACIVSA-N 1 2 330.407 2.703 40 0 EFABLO C[C@H]1c2[nH+]cc(CCOCC3CCCC3)n2CCN1Cc1cn[nH]c1 ZINC000585097927 479281344 /nfs/dbraw/zinc/28/13/44/479281344.db2.gz PJNOCYALHLDKMW-HNNXBMFYSA-N 1 2 343.475 2.932 40 0 EFABLO C[C@H]1c2ncc(CCOCC3CCCC3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585097927 479281350 /nfs/dbraw/zinc/28/13/50/479281350.db2.gz PJNOCYALHLDKMW-HNNXBMFYSA-N 1 2 343.475 2.932 40 0 EFABLO C[C@H]1c2ncc(CCOCC3CCCC3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585097927 479281356 /nfs/dbraw/zinc/28/13/56/479281356.db2.gz PJNOCYALHLDKMW-HNNXBMFYSA-N 1 2 343.475 2.932 40 0 EFABLO C[C@@H]1c2[nH+]cc(CCOCC3CCC3)n2CCN1Cc1cn[nH]c1 ZINC000585096826 479281390 /nfs/dbraw/zinc/28/13/90/479281390.db2.gz BGNYIQXHXWXRJZ-CQSZACIVSA-N 1 2 329.448 2.542 40 0 EFABLO C[C@@H]1c2ncc(CCOCC3CCC3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585096826 479281395 /nfs/dbraw/zinc/28/13/95/479281395.db2.gz BGNYIQXHXWXRJZ-CQSZACIVSA-N 1 2 329.448 2.542 40 0 EFABLO C[C@@H]1c2ncc(CCOCC3CCC3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585096826 479281398 /nfs/dbraw/zinc/28/13/98/479281398.db2.gz BGNYIQXHXWXRJZ-CQSZACIVSA-N 1 2 329.448 2.542 40 0 EFABLO c1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CC2)cc2c1OCO2 ZINC000585103079 479284513 /nfs/dbraw/zinc/28/45/13/479284513.db2.gz PSIOUDFENZKXCI-KRWDZBQOSA-N 1 2 345.439 2.823 40 0 EFABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)C1CCC1 ZINC000585111993 479288508 /nfs/dbraw/zinc/28/85/08/479288508.db2.gz GNUOUSTYQMSHSY-GOSISDBHSA-N 1 2 338.455 2.746 40 0 EFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)C1CCC1 ZINC000585111993 479288517 /nfs/dbraw/zinc/28/85/17/479288517.db2.gz GNUOUSTYQMSHSY-GOSISDBHSA-N 1 2 338.455 2.746 40 0 EFABLO CC(C)C(=O)NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585112167 479288680 /nfs/dbraw/zinc/28/86/80/479288680.db2.gz JYHSNQMDKJMKAD-OAHLLOKOSA-N 1 2 332.473 2.664 40 0 EFABLO CC(C)C(=O)NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585112167 479288687 /nfs/dbraw/zinc/28/86/87/479288687.db2.gz JYHSNQMDKJMKAD-OAHLLOKOSA-N 1 2 332.473 2.664 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)C(C)C)C2)s1 ZINC000585112553 479289527 /nfs/dbraw/zinc/28/95/27/479289527.db2.gz SOUNLUFKHPYKPS-OAHLLOKOSA-N 1 2 346.500 2.972 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)C(C)C)C2)s1 ZINC000585112553 479289532 /nfs/dbraw/zinc/28/95/32/479289532.db2.gz SOUNLUFKHPYKPS-OAHLLOKOSA-N 1 2 346.500 2.972 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)C3CC3)C2)s1 ZINC000585112338 479289618 /nfs/dbraw/zinc/28/96/18/479289618.db2.gz NHIYYNJOTZZWKZ-HNNXBMFYSA-N 1 2 344.484 2.726 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)C3CC3)C2)s1 ZINC000585112338 479289620 /nfs/dbraw/zinc/28/96/20/479289620.db2.gz NHIYYNJOTZZWKZ-HNNXBMFYSA-N 1 2 344.484 2.726 40 0 EFABLO Cc1cc(-c2nccn2C)nc(C2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000585178867 479301919 /nfs/dbraw/zinc/30/19/19/479301919.db2.gz UGVNVWIJMJGOTQ-UHFFFAOYSA-N 1 2 349.442 2.668 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)[nH+]1 ZINC000585181406 479302245 /nfs/dbraw/zinc/30/22/45/479302245.db2.gz FGNJAQRVLAYKPJ-HNNXBMFYSA-N 1 2 337.427 2.864 40 0 EFABLO Cc1ccc(OC[C@]2(O)CC[N@@H+](Cc3nccn3C(C)C)C2)cc1 ZINC000585269376 479304047 /nfs/dbraw/zinc/30/40/47/479304047.db2.gz QVMHCKNMIJBZIF-IBGZPJMESA-N 1 2 329.444 2.788 40 0 EFABLO Cc1ccc(OC[C@]2(O)CC[N@H+](Cc3nccn3C(C)C)C2)cc1 ZINC000585269376 479304053 /nfs/dbraw/zinc/30/40/53/479304053.db2.gz QVMHCKNMIJBZIF-IBGZPJMESA-N 1 2 329.444 2.788 40 0 EFABLO CO[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1Cc1ccccc1 ZINC000585288525 479309329 /nfs/dbraw/zinc/30/93/29/479309329.db2.gz CVCKQQNWFVFZSC-KTJBFALPSA-N 1 2 325.412 2.529 40 0 EFABLO CO[C@@]1(COc2ccccc2)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000585288871 479309446 /nfs/dbraw/zinc/30/94/46/479309446.db2.gz KJWFZNUXNVTXLW-SGQUHAKNSA-N 1 2 341.411 2.510 40 0 EFABLO CO[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585288617 479309600 /nfs/dbraw/zinc/30/96/00/479309600.db2.gz FRINOIACLUNDFO-KRZVHVFCSA-N 1 2 339.439 2.838 40 0 EFABLO CO[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1Cc1ccc(C)cc1 ZINC000585288652 479309640 /nfs/dbraw/zinc/30/96/40/479309640.db2.gz GUGVWMSAACRCIO-MYQPPDNISA-N 1 2 339.439 2.980 40 0 EFABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000585289922 479310518 /nfs/dbraw/zinc/31/05/18/479310518.db2.gz XSKLLQRGXPCABW-HVMMPBATSA-N 1 2 345.830 2.528 40 0 EFABLO COc1cc(C(=O)N2CC[C@H](n3c(C)[nH+]c4ccccc43)C2)ccn1 ZINC000575414538 479442304 /nfs/dbraw/zinc/44/23/04/479442304.db2.gz JPFRXPRWYVBGQW-HNNXBMFYSA-N 1 2 336.395 2.836 40 0 EFABLO O=C(CSc1ccncc1)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575604625 479448810 /nfs/dbraw/zinc/44/88/10/479448810.db2.gz AXBIELUQVFYHRC-OAHLLOKOSA-N 1 2 329.425 2.639 40 0 EFABLO Fc1ccc(F)c(C[NH+]2CCN(c3cc4c(nn3)CCC4)CC2)c1 ZINC000575608864 479451814 /nfs/dbraw/zinc/45/18/14/479451814.db2.gz PRNPIMYBMUTUFQ-UHFFFAOYSA-N 1 2 330.382 2.566 40 0 EFABLO COC(=O)c1ccc2c(c1)CCN2Cc1[nH+]ccn1CC(F)(F)F ZINC000191505970 534249103 /nfs/dbraw/zinc/24/91/03/534249103.db2.gz RAWRYRDGDBLEHO-UHFFFAOYSA-N 1 2 339.317 2.795 40 0 EFABLO CC(=O)N1CCN(Cc2[nH+]ccn2C(C)C)[C@H](c2ccccc2)C1 ZINC000257258210 534796855 /nfs/dbraw/zinc/79/68/55/534796855.db2.gz KSUZJTOMEMUGKP-SFHVURJKSA-N 1 2 326.444 2.869 40 0 EFABLO CCOC(=O)c1ccsc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000175137054 528276322 /nfs/dbraw/zinc/27/63/22/528276322.db2.gz XBLZDBVDBGXJAT-UHFFFAOYSA-N 1 2 348.428 2.990 40 0 EFABLO CC(C)[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccccc2F)CC1 ZINC000057670167 535169731 /nfs/dbraw/zinc/16/97/31/535169731.db2.gz KOGFEPQMAUZEHP-QGZVFWFLSA-N 1 2 346.454 2.912 40 0 EFABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1n[nH]c(C)c1C ZINC000266399327 535702603 /nfs/dbraw/zinc/70/26/03/535702603.db2.gz LPMCUPKCLDRTDB-UHFFFAOYSA-N 1 2 341.459 2.800 40 0 EFABLO C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2Cc2ccccc2C(=O)[O-])n1 ZINC000257221660 536051583 /nfs/dbraw/zinc/05/15/83/536051583.db2.gz DQAFRCPZYIEPJW-QGZVFWFLSA-N 1 2 340.427 2.574 40 0 EFABLO C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2Cc2ccccc2C(=O)[O-])n1 ZINC000257221660 536051585 /nfs/dbraw/zinc/05/15/85/536051585.db2.gz DQAFRCPZYIEPJW-QGZVFWFLSA-N 1 2 340.427 2.574 40 0 EFABLO COc1ccc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000257248919 536700628 /nfs/dbraw/zinc/70/06/28/536700628.db2.gz JFUSLCJWGMJZHN-MRXNPFEDSA-N 1 2 325.412 2.831 40 0 EFABLO COc1ccc([C@H]2CN(C(=O)Cc3csc(C)n3)CC[N@@H+]2C)cc1 ZINC000257219951 536945074 /nfs/dbraw/zinc/94/50/74/536945074.db2.gz DIYSEXXZYIIMKI-QGZVFWFLSA-N 1 2 345.468 2.518 40 0 EFABLO COc1ccc([C@H]2CN(C(=O)Cc3csc(C)n3)CC[N@H+]2C)cc1 ZINC000257219951 536945079 /nfs/dbraw/zinc/94/50/79/536945079.db2.gz DIYSEXXZYIIMKI-QGZVFWFLSA-N 1 2 345.468 2.518 40 0 EFABLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000896885855 723573572 /nfs/dbraw/zinc/57/35/72/723573572.db2.gz MACDVPQOCZTAPS-LJQANCHMSA-N 1 2 333.395 2.808 40 0 EFABLO COc1ccc(NC(=O)CO[C@H]2[NH+]=C(C(C)C)NC(C)=C2C)cc1 ZINC000057524278 1101200861 /nfs/dbraw/zinc/20/08/61/1101200861.db2.gz XHRVWPNUXJNNPK-GOSISDBHSA-N 1 2 331.416 2.928 40 0 EFABLO O=C(C[N@H+]1CCC[C@H](O)C1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000066863102 215088407 /nfs/dbraw/zinc/08/84/07/215088407.db2.gz FTKGHJJUQFAWHN-MAUKXSAKSA-N 1 2 348.443 2.550 40 0 EFABLO O=C(C[N@@H+]1CCC[C@H](O)C1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000066863102 215088409 /nfs/dbraw/zinc/08/84/09/215088409.db2.gz FTKGHJJUQFAWHN-MAUKXSAKSA-N 1 2 348.443 2.550 40 0 EFABLO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000088390747 304012617 /nfs/dbraw/zinc/01/26/17/304012617.db2.gz QGNPYAYCHNPFOW-GJZGRUSLSA-N 1 2 344.419 2.544 40 0 EFABLO COc1cc(CC(=O)Nc2nc3c(s2)C[N@H+](C)CC3)ccc1C ZINC000040477342 213312960 /nfs/dbraw/zinc/31/29/60/213312960.db2.gz ZZMCJDCYYKLOSX-UHFFFAOYSA-N 1 2 331.441 2.629 40 0 EFABLO COc1cc(CC(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)ccc1C ZINC000040477342 213312964 /nfs/dbraw/zinc/31/29/64/213312964.db2.gz ZZMCJDCYYKLOSX-UHFFFAOYSA-N 1 2 331.441 2.629 40 0 EFABLO C[N@@H+]1CCc2nc(NC(=O)CCC(=O)c3cccs3)sc2C1 ZINC000040161665 213277218 /nfs/dbraw/zinc/27/72/18/213277218.db2.gz ULTSSFOFFBVQSP-UHFFFAOYSA-N 1 2 335.454 2.794 40 0 EFABLO C[N@H+]1CCc2nc(NC(=O)CCC(=O)c3cccs3)sc2C1 ZINC000040161665 213277220 /nfs/dbraw/zinc/27/72/20/213277220.db2.gz ULTSSFOFFBVQSP-UHFFFAOYSA-N 1 2 335.454 2.794 40 0 EFABLO C[C@H](C(=O)N(C)c1nncs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000185368306 235651782 /nfs/dbraw/zinc/65/17/82/235651782.db2.gz GCKYWBVLUZSBJT-CQSZACIVSA-N 1 2 344.484 2.844 40 0 EFABLO CC(C)=CCC[C@@H](C)CC[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000193234864 535359089 /nfs/dbraw/zinc/35/90/89/535359089.db2.gz QELFZLRTMAEYKL-QZTJIDSGSA-N 1 2 342.549 2.564 40 0 EFABLO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)cn1 ZINC000035426153 213027804 /nfs/dbraw/zinc/02/78/04/213027804.db2.gz HSUYLKCGHPNLII-HNNXBMFYSA-N 1 2 336.399 2.905 40 0 biogenic,in-vitro EFABLO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)cn1 ZINC000035426153 213027806 /nfs/dbraw/zinc/02/78/06/213027806.db2.gz HSUYLKCGHPNLII-HNNXBMFYSA-N 1 2 336.399 2.905 40 0 biogenic,in-vitro EFABLO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)cn1 ZINC000035425870 213026927 /nfs/dbraw/zinc/02/69/27/213026927.db2.gz HGPVWDHYAGNRKB-HNNXBMFYSA-N 1 2 337.383 2.872 40 0 biogenic,in-vitro EFABLO COc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)cn1 ZINC000035425870 213026932 /nfs/dbraw/zinc/02/69/32/213026932.db2.gz HGPVWDHYAGNRKB-HNNXBMFYSA-N 1 2 337.383 2.872 40 0 biogenic,in-vitro EFABLO Cc1ccnc(-c2ccc(NC(=O)NCCCn3cc[nH+]c3)cc2)n1 ZINC000072286350 216118303 /nfs/dbraw/zinc/11/83/03/216118303.db2.gz HEHJPUAZCQSGMC-UHFFFAOYSA-N 1 2 336.399 2.860 40 0 EFABLO Cc1ccc(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)o1 ZINC000072335500 216158167 /nfs/dbraw/zinc/15/81/67/216158167.db2.gz XJEDIQYVOXVMJV-UHFFFAOYSA-N 1 2 342.443 2.878 40 0 EFABLO Cc1ccc(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)o1 ZINC000072335500 216158168 /nfs/dbraw/zinc/15/81/68/216158168.db2.gz XJEDIQYVOXVMJV-UHFFFAOYSA-N 1 2 342.443 2.878 40 0 EFABLO O=C(Cc1ccccc1)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350573 216162473 /nfs/dbraw/zinc/16/24/73/216162473.db2.gz ZUKVENCTXCFDNR-QGZVFWFLSA-N 1 2 347.422 2.611 40 0 EFABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN(c3ccnc(C)n3)C2)n1 ZINC000072355611 216163649 /nfs/dbraw/zinc/16/36/49/216163649.db2.gz QIGNQSOBVXVJSP-HNNXBMFYSA-N 1 2 349.442 2.707 40 0 EFABLO Cc1cc(Oc2ccccc2C)nc([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072361859 216169306 /nfs/dbraw/zinc/16/93/06/216169306.db2.gz VSNCXUXCSBRMOP-HNNXBMFYSA-N 1 2 340.427 2.550 40 0 EFABLO Cc1cc(Oc2ccccc2C)nc([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072361859 216169309 /nfs/dbraw/zinc/16/93/09/216169309.db2.gz VSNCXUXCSBRMOP-HNNXBMFYSA-N 1 2 340.427 2.550 40 0 EFABLO Cc1cc(Nc2cc(C)nc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)no1 ZINC000072382605 216183326 /nfs/dbraw/zinc/18/33/26/216183326.db2.gz WMMPJMWCISOMKD-ZDUSSCGKSA-N 1 2 339.403 2.538 40 0 EFABLO Cc1cc(Nc2cc(C)nc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)no1 ZINC000072382605 216183329 /nfs/dbraw/zinc/18/33/29/216183329.db2.gz WMMPJMWCISOMKD-ZDUSSCGKSA-N 1 2 339.403 2.538 40 0 EFABLO O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cc(=O)c2ccccc2o1 ZINC000131211000 223213698 /nfs/dbraw/zinc/21/36/98/223213698.db2.gz UHJAFZWYFQMASV-CQSZACIVSA-N 1 2 349.390 2.587 40 0 EFABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(Cl)s3)CC2)S1 ZINC000073118058 216352366 /nfs/dbraw/zinc/35/23/66/216352366.db2.gz FAHACRWAPGKPDN-SECBINFHSA-N 1 2 329.878 2.651 40 0 EFABLO Cc1noc2nc(C3CC3)cc(C(=O)NCc3cn4ccccc4[nH+]3)c12 ZINC000023754371 212394183 /nfs/dbraw/zinc/39/41/83/212394183.db2.gz DMKWRAIRLLRIGL-UHFFFAOYSA-N 1 2 347.378 2.986 40 0 EFABLO CCc1[nH+]c2ccccc2n1CC(=O)NCCc1ccccc1OC ZINC000023443898 212378133 /nfs/dbraw/zinc/37/81/33/212378133.db2.gz ZLDOKZXFCTXKMB-UHFFFAOYSA-N 1 2 337.423 2.966 40 0 EFABLO Cc1[nH]c2ccc(C(=O)NCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1C ZINC000023111003 212347823 /nfs/dbraw/zinc/34/78/23/212347823.db2.gz WEQHZSZXPKYMNX-BETUJISGSA-N 1 2 329.444 2.624 40 0 EFABLO Cc1[nH]c2ccc(C(=O)NCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2c1C ZINC000023111003 212347826 /nfs/dbraw/zinc/34/78/26/212347826.db2.gz WEQHZSZXPKYMNX-BETUJISGSA-N 1 2 329.444 2.624 40 0 EFABLO O=C(NC[C@H](c1cccs1)[NH+]1CCOCC1)NC1CCCCC1 ZINC000023105670 212347639 /nfs/dbraw/zinc/34/76/39/212347639.db2.gz ABFPAGKTQGNCEO-OAHLLOKOSA-N 1 2 337.489 2.753 40 0 EFABLO CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1(C)C ZINC000022839448 212328134 /nfs/dbraw/zinc/32/81/34/212328134.db2.gz ZXQJOZZZOCZEAZ-AEFFLSMTSA-N 1 2 343.471 2.773 40 0 EFABLO Cc1cc(NC(=O)[C@H](C)CS(C)(=O)=O)ccc1Oc1cc[nH+]cc1 ZINC000193188097 240053359 /nfs/dbraw/zinc/05/33/59/240053359.db2.gz MULHEWINSNKMKQ-CYBMUJFWSA-N 1 2 348.424 2.802 40 0 EFABLO O=C(c1ccc2c(c1)CCCC2)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257339407 240314266 /nfs/dbraw/zinc/31/42/66/240314266.db2.gz ZBOLNQLJYPOPSS-OALUTQOASA-N 1 2 339.439 2.600 40 0 EFABLO CN([C@H]1CCCN(c2cccc[nH+]2)C1)S(=O)(=O)Cc1ccccc1 ZINC000257341798 240314415 /nfs/dbraw/zinc/31/44/15/240314415.db2.gz ZMALUIDIGDQXEY-KRWDZBQOSA-N 1 2 345.468 2.512 40 0 EFABLO Nc1[nH+]cnc(N2CCC[C@H]2c2cccc3c2OCCO3)c1Cl ZINC000242339199 243019296 /nfs/dbraw/zinc/01/92/96/243019296.db2.gz ZFTUKMBUFTYKMM-NSHDSACASA-N 1 2 332.791 2.825 40 0 EFABLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)c1ccc(C)cc1 ZINC000252481311 243769760 /nfs/dbraw/zinc/76/97/60/243769760.db2.gz CITWZZUAIUUUGQ-BZSNNMDCSA-N 1 2 331.460 2.561 40 0 EFABLO CC[C@H](NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)c1ccc(C)cc1 ZINC000252481311 243769767 /nfs/dbraw/zinc/76/97/67/243769767.db2.gz CITWZZUAIUUUGQ-BZSNNMDCSA-N 1 2 331.460 2.561 40 0 EFABLO CCCCc1[nH]c2ccc(NC(=O)[C@@H](OC)c3cnn(C)c3)cc2[nH+]1 ZINC000252491734 243797761 /nfs/dbraw/zinc/79/77/61/243797761.db2.gz LRQVUKKWFSURCN-KRWDZBQOSA-N 1 2 341.415 2.965 40 0 EFABLO c1csc(C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)n1 ZINC000253590037 244027545 /nfs/dbraw/zinc/02/75/45/244027545.db2.gz AWBHDTFJFBCRED-CQSZACIVSA-N 1 2 333.482 2.815 40 0 EFABLO Cc1cnc(NCC[C@H]2CCOC23C[NH+](Cc2cccs2)C3)nc1 ZINC000253600793 244033891 /nfs/dbraw/zinc/03/38/91/244033891.db2.gz YYDFIQYJHZKNFO-HNNXBMFYSA-N 1 2 344.484 2.940 40 0 EFABLO Cc1cn2c(cccc2[C@H]2CCCN(C(=O)c3cnc(C)cn3)C2)[nH+]1 ZINC000257204467 244130249 /nfs/dbraw/zinc/13/02/49/244130249.db2.gz AUSXZEKWQXDRTJ-HNNXBMFYSA-N 1 2 335.411 2.761 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000257205819 244132600 /nfs/dbraw/zinc/13/26/00/244132600.db2.gz BASFJVUSBSDUOW-MRXNPFEDSA-N 1 2 347.484 2.512 40 0 EFABLO Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257205819 244132607 /nfs/dbraw/zinc/13/26/07/244132607.db2.gz BASFJVUSBSDUOW-MRXNPFEDSA-N 1 2 347.484 2.512 40 0 EFABLO Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257205819 244132615 /nfs/dbraw/zinc/13/26/15/244132615.db2.gz BASFJVUSBSDUOW-MRXNPFEDSA-N 1 2 347.484 2.512 40 0 EFABLO CC(C)n1nccc1C(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257199661 244114862 /nfs/dbraw/zinc/11/48/62/244114862.db2.gz AAISBRZEAYOYFD-HNNXBMFYSA-N 1 2 327.432 2.600 40 0 EFABLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257218693 244172879 /nfs/dbraw/zinc/17/28/79/244172879.db2.gz DEDIJUGHDFBRIT-VQFNDLOPSA-N 1 2 325.412 2.589 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3cc(Cl)no3)C2)[nH+]1 ZINC000257218063 244174968 /nfs/dbraw/zinc/17/49/68/244174968.db2.gz DBRYLDZHZQGQKB-LBPRGKRZSA-N 1 2 336.823 2.709 40 0 EFABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2noc3c2CCCC3)cc[nH+]1 ZINC000257207339 244140945 /nfs/dbraw/zinc/14/09/45/244140945.db2.gz BHHUQWXGWBVFDQ-OAHLLOKOSA-N 1 2 340.427 2.992 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)[nH+]1 ZINC000257209651 244145578 /nfs/dbraw/zinc/14/55/78/244145578.db2.gz BRIJQHLLHUEPAN-CYBMUJFWSA-N 1 2 337.379 2.844 40 0 EFABLO Cc1ccsc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257215336 244164253 /nfs/dbraw/zinc/16/42/53/244164253.db2.gz CPQNFGHUEPQOLS-GFCCVEGCSA-N 1 2 339.486 2.563 40 0 EFABLO Cc1ccsc1C[N@H+]1CCC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257215336 244164262 /nfs/dbraw/zinc/16/42/62/244164262.db2.gz CPQNFGHUEPQOLS-GFCCVEGCSA-N 1 2 339.486 2.563 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)cc[nH+]1 ZINC000257216190 244166448 /nfs/dbraw/zinc/16/64/48/244166448.db2.gz CTMWHCOZZOBMDC-OAHLLOKOSA-N 1 2 339.395 2.758 40 0 EFABLO Cc1cc2nc(C3CC[NH+](Cc4scnc4C)CC3)cc(=O)n2[nH]1 ZINC000257223147 244190833 /nfs/dbraw/zinc/19/08/33/244190833.db2.gz DWCLHUWNYRYYHS-UHFFFAOYSA-N 1 2 343.456 2.888 40 0 EFABLO Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)[nH+]1 ZINC000257232160 244216902 /nfs/dbraw/zinc/21/69/02/244216902.db2.gz GJRFSAGUWKUKAM-LLVKDONJSA-N 1 2 325.821 2.550 40 0 EFABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2ncoc2C)cc1 ZINC000257232589 244216925 /nfs/dbraw/zinc/21/69/25/244216925.db2.gz GLNSYBUCRLUXBR-HNNXBMFYSA-N 1 2 338.367 2.585 40 0 EFABLO O=C(C[C@@H]1COCCN1Cc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000134168289 223478204 /nfs/dbraw/zinc/47/82/04/223478204.db2.gz YWDUYFCBCKJRDD-GOSISDBHSA-N 1 2 335.407 2.808 40 0 EFABLO Cc1nc(N2CCC[C@](C)(C(=O)NCc3cccc(F)c3)C2)cc[nH+]1 ZINC000257231159 244213474 /nfs/dbraw/zinc/21/34/74/244213474.db2.gz GFOQIMYSXLRVPV-IBGZPJMESA-N 1 2 342.418 2.847 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)[nH+]1 ZINC000257242151 244247701 /nfs/dbraw/zinc/24/77/01/244247701.db2.gz IBHYXABLWZIGCV-CYBMUJFWSA-N 1 2 328.416 2.962 40 0 EFABLO Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257242994 244248161 /nfs/dbraw/zinc/24/81/61/244248161.db2.gz IFCYJFLQUKCBEL-KRWDZBQOSA-N 1 2 341.459 2.784 40 0 EFABLO CCCn1cc[nH+]c1CN1CCN(C(C)=O)C[C@H]1c1ccccc1 ZINC000257245427 244256082 /nfs/dbraw/zinc/25/60/82/244256082.db2.gz IPKUZGNPCCSOKK-SFHVURJKSA-N 1 2 326.444 2.699 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)[nH+]1 ZINC000257232662 244217595 /nfs/dbraw/zinc/21/75/95/244217595.db2.gz GLWHIKLHWHJLHT-HNNXBMFYSA-N 1 2 325.416 2.691 40 0 EFABLO COc1cc2cc(C)c(SCC[NH+]3CCOCC3)nc2cc1OC ZINC000020151165 212106805 /nfs/dbraw/zinc/10/68/05/212106805.db2.gz MYKWXDLBPZYHNL-UHFFFAOYSA-N 1 2 348.468 2.985 40 0 EFABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)Cc1cccnc1)C2 ZINC000257233400 244219090 /nfs/dbraw/zinc/21/90/90/244219090.db2.gz GPCYQRXRHBGLPF-GOSISDBHSA-N 1 2 332.407 2.913 40 0 EFABLO CN(C)c1cncc([C@H]2CCC[N@@H+]2Cc2nc3ccccc3n2C)n1 ZINC000257233836 244223113 /nfs/dbraw/zinc/22/31/13/244223113.db2.gz GQXVUVKXHFIMIY-QGZVFWFLSA-N 1 2 336.443 2.766 40 0 EFABLO CN(C)c1cncc([C@H]2CCC[N@H+]2Cc2nc3ccccc3n2C)n1 ZINC000257233836 244223116 /nfs/dbraw/zinc/22/31/16/244223116.db2.gz GQXVUVKXHFIMIY-QGZVFWFLSA-N 1 2 336.443 2.766 40 0 EFABLO CC(=O)NC(=Cc1c[nH]c(C)[nH+]1)[C@H]1CCCCN1C(=O)C(C)(C)C ZINC000257234162 244224645 /nfs/dbraw/zinc/22/46/45/244224645.db2.gz GSKXQGLOUFGADM-DDITZMBXSA-N 1 2 332.448 2.622 40 0 EFABLO Cc1cnc([C@H]2CCCN(C(=O)C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000257241017 244241828 /nfs/dbraw/zinc/24/18/28/244241828.db2.gz HWHNNVTVGOSKJL-INIZCTEOSA-N 1 2 344.484 2.685 40 0 EFABLO Cc1cnc([C@H]2CCCN(C(=O)C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000257241017 244241841 /nfs/dbraw/zinc/24/18/41/244241841.db2.gz HWHNNVTVGOSKJL-INIZCTEOSA-N 1 2 344.484 2.685 40 0 EFABLO Cc1nccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257247633 244260990 /nfs/dbraw/zinc/26/09/90/244260990.db2.gz IZWDZAPJPQQIGB-HNNXBMFYSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1nccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257247633 244260995 /nfs/dbraw/zinc/26/09/95/244260995.db2.gz IZWDZAPJPQQIGB-HNNXBMFYSA-N 1 2 341.440 2.810 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)c3cccnc3OC)C2)cc[nH+]1 ZINC000257249674 244265459 /nfs/dbraw/zinc/26/54/59/244265459.db2.gz JJHNZTKOGDMLLM-AWEZNQCLSA-N 1 2 326.400 2.547 40 0 EFABLO Cc1cc(CC2CCN(C(=O)c3cnn4cccnc34)CC2)cc[nH+]1 ZINC000257251956 244270347 /nfs/dbraw/zinc/27/03/47/244270347.db2.gz JSZGVMZJHUMZQP-UHFFFAOYSA-N 1 2 335.411 2.528 40 0 EFABLO COc1ccc(C(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)cn1 ZINC000257254157 244275294 /nfs/dbraw/zinc/27/52/94/244275294.db2.gz KBXSREAJDIPRFL-HNNXBMFYSA-N 1 2 326.400 2.529 40 0 EFABLO COc1cccc(OC)c1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020045043 212097156 /nfs/dbraw/zinc/09/71/56/212097156.db2.gz JLEYBWKJTMAPBP-UHFFFAOYSA-N 1 2 337.379 2.820 40 0 EFABLO Cc1ccc(C[C@H]2CCC[C@@H]3CN(C(=O)c4ccn(C)n4)C[C@@H]32)[nH+]c1 ZINC000257261357 244351333 /nfs/dbraw/zinc/35/13/33/244351333.db2.gz LGZHRLWAJZCMNG-JFIYKMOQSA-N 1 2 338.455 2.855 40 0 EFABLO CCCn1cc(C[N@@H+]2CCN(C(C)=O)[C@H](c3ccccc3)C2)cn1 ZINC000257263339 244353820 /nfs/dbraw/zinc/35/38/20/244353820.db2.gz LPKVPFSMDPKZRO-IBGZPJMESA-N 1 2 326.444 2.699 40 0 EFABLO CCCn1cc(C[N@H+]2CCN(C(C)=O)[C@H](c3ccccc3)C2)cn1 ZINC000257263339 244353827 /nfs/dbraw/zinc/35/38/27/244353827.db2.gz LPKVPFSMDPKZRO-IBGZPJMESA-N 1 2 326.444 2.699 40 0 EFABLO COc1ccc(C)cc1CC(=O)N1CCC[C@@H]1c1[nH+]c(C)cn1C ZINC000257272232 244380144 /nfs/dbraw/zinc/38/01/44/244380144.db2.gz NBODORFRANKCKG-MRXNPFEDSA-N 1 2 327.428 2.952 40 0 EFABLO CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2nccn2C(C)C)n1 ZINC000257275690 244392442 /nfs/dbraw/zinc/39/24/42/244392442.db2.gz NQMMQPYGFRMLSV-GOSISDBHSA-N 1 2 341.459 2.832 40 0 EFABLO CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2nccn2C(C)C)n1 ZINC000257275690 244392451 /nfs/dbraw/zinc/39/24/51/244392451.db2.gz NQMMQPYGFRMLSV-GOSISDBHSA-N 1 2 341.459 2.832 40 0 EFABLO Cc1nn(C)c2nc([C@]3(C)CCCN(c4cc[nH+]c(C)n4)C3)ccc12 ZINC000257276294 244393636 /nfs/dbraw/zinc/39/36/36/244393636.db2.gz NTCVBWVCJDCLHX-LJQANCHMSA-N 1 2 336.443 2.933 40 0 EFABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)C(C)(C)C)CC2)n1C ZINC000257342406 244574849 /nfs/dbraw/zinc/57/48/49/244574849.db2.gz ZOLGEJQTJVRXKX-UHFFFAOYSA-N 1 2 341.459 2.938 40 0 EFABLO Cc1c(NC(=O)C[NH+]2CCC(Oc3ccccc3C)CC2)cnn1C ZINC000019658878 212054565 /nfs/dbraw/zinc/05/45/65/212054565.db2.gz TUKRCHBGEUOGKB-UHFFFAOYSA-N 1 2 342.443 2.519 40 0 EFABLO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2nccs2)cc1OC ZINC000019657761 212054203 /nfs/dbraw/zinc/05/42/03/212054203.db2.gz SIPACJVLWALQOJ-ZDUSSCGKSA-N 1 2 347.440 2.936 40 0 EFABLO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2nccs2)cc1OC ZINC000019657761 212054205 /nfs/dbraw/zinc/05/42/05/212054205.db2.gz SIPACJVLWALQOJ-ZDUSSCGKSA-N 1 2 347.440 2.936 40 0 EFABLO CCOc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2nonc2C)cc1 ZINC000019656747 212053301 /nfs/dbraw/zinc/05/33/01/212053301.db2.gz TZVDRNTYRNUYBX-UHFFFAOYSA-N 1 2 327.388 2.799 40 0 EFABLO CCOc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2nonc2C)cc1 ZINC000019656747 212053298 /nfs/dbraw/zinc/05/32/98/212053298.db2.gz TZVDRNTYRNUYBX-UHFFFAOYSA-N 1 2 327.388 2.799 40 0 EFABLO Cc1cc(C)n([C@H](C)CC(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000019573088 212045625 /nfs/dbraw/zinc/04/56/25/212045625.db2.gz STQOWCSZIIIDNO-MRXNPFEDSA-N 1 2 337.427 2.953 40 0 EFABLO c1coc(-c2cnc(NCC[NH+]3CCOCC3)nc2-c2ccco2)c1 ZINC000019342563 212017738 /nfs/dbraw/zinc/01/77/38/212017738.db2.gz OGCBUDOMSOFGNB-UHFFFAOYSA-N 1 2 340.383 2.741 40 0 EFABLO C[N@H+](Cc1cn2ccsc2n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078923053 217149629 /nfs/dbraw/zinc/14/96/29/217149629.db2.gz VSPJYBOUCQTPKS-OAHLLOKOSA-N 1 2 326.425 2.633 40 0 EFABLO C[N@@H+](Cc1cn2ccsc2n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000078923053 217149632 /nfs/dbraw/zinc/14/96/32/217149632.db2.gz VSPJYBOUCQTPKS-OAHLLOKOSA-N 1 2 326.425 2.633 40 0 EFABLO C[N@H+](Cc1cn2ccsc2n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000078923056 217149638 /nfs/dbraw/zinc/14/96/38/217149638.db2.gz VSPJYBOUCQTPKS-HNNXBMFYSA-N 1 2 326.425 2.633 40 0 EFABLO C[N@@H+](Cc1cn2ccsc2n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000078923056 217149640 /nfs/dbraw/zinc/14/96/40/217149640.db2.gz VSPJYBOUCQTPKS-HNNXBMFYSA-N 1 2 326.425 2.633 40 0 EFABLO CN(C)c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)nc1 ZINC000078927891 217150033 /nfs/dbraw/zinc/15/00/33/217150033.db2.gz WZPHNUIGIYXSHU-QGZVFWFLSA-N 1 2 339.443 2.536 40 0 EFABLO CN(C)c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)nc1 ZINC000078927891 217150037 /nfs/dbraw/zinc/15/00/37/217150037.db2.gz WZPHNUIGIYXSHU-QGZVFWFLSA-N 1 2 339.443 2.536 40 0 EFABLO CCOc1ncc(C(=O)NCCc2cn3c([nH+]2)CCCC3)cc1Cl ZINC000078998769 217170025 /nfs/dbraw/zinc/17/00/25/217170025.db2.gz LZHYUIRBFOQDHY-UHFFFAOYSA-N 1 2 348.834 2.639 40 0 EFABLO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000079311615 217206823 /nfs/dbraw/zinc/20/68/23/217206823.db2.gz YEFFINMCWJJUAT-OAHLLOKOSA-N 1 2 344.440 2.705 40 0 EFABLO CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2nccs2)c1 ZINC000079311615 217206826 /nfs/dbraw/zinc/20/68/26/217206826.db2.gz YEFFINMCWJJUAT-OAHLLOKOSA-N 1 2 344.440 2.705 40 0 EFABLO CCOc1nnc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)s1 ZINC000079311577 217207471 /nfs/dbraw/zinc/20/74/71/217207471.db2.gz BRKYQHNVUBTTSK-OAHLLOKOSA-N 1 2 333.457 2.809 40 0 EFABLO CCOc1nnc(C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)s1 ZINC000079311577 217207475 /nfs/dbraw/zinc/20/74/75/217207475.db2.gz BRKYQHNVUBTTSK-OAHLLOKOSA-N 1 2 333.457 2.809 40 0 EFABLO CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000079311618 217207565 /nfs/dbraw/zinc/20/75/65/217207565.db2.gz YEFFINMCWJJUAT-HNNXBMFYSA-N 1 2 344.440 2.705 40 0 EFABLO CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2nccs2)c1 ZINC000079311618 217207567 /nfs/dbraw/zinc/20/75/67/217207567.db2.gz YEFFINMCWJJUAT-HNNXBMFYSA-N 1 2 344.440 2.705 40 0 EFABLO C[NH+](C)[C@@H](CNC(=O)CCc1ccncc1)c1c(F)cccc1F ZINC000079362513 217215916 /nfs/dbraw/zinc/21/59/16/217215916.db2.gz LSWYVJUSALYFAF-INIZCTEOSA-N 1 2 333.382 2.712 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(Br)cn1C ZINC000080463016 217305678 /nfs/dbraw/zinc/30/56/78/217305678.db2.gz QAOQGAJQMXSNFI-UHFFFAOYSA-N 1 2 339.237 2.570 40 0 EFABLO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(F)nc3)CC2)c1 ZINC000081349267 217386225 /nfs/dbraw/zinc/38/62/25/217386225.db2.gz YYAQNGLKVVFSJA-CQSZACIVSA-N 1 2 343.402 2.748 40 0 EFABLO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)NCCn1cc[nH+]c1 ZINC000112129371 220249287 /nfs/dbraw/zinc/24/92/87/220249287.db2.gz RZXVLHRJVYLMDD-UHFFFAOYSA-N 1 2 343.431 2.998 40 0 EFABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@H+](Cc1cccnc1)CC3 ZINC000012142912 211304291 /nfs/dbraw/zinc/30/42/91/211304291.db2.gz FHGXDLSEESZGMN-UHFFFAOYSA-N 1 2 337.427 2.686 40 0 EFABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@@H+](Cc1cccnc1)CC3 ZINC000012142912 211304294 /nfs/dbraw/zinc/30/42/94/211304294.db2.gz FHGXDLSEESZGMN-UHFFFAOYSA-N 1 2 337.427 2.686 40 0 EFABLO Cc1ncccc1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)c(F)c1 ZINC000012115032 211294870 /nfs/dbraw/zinc/29/48/70/211294870.db2.gz DTWYAUXDESASDN-MRXNPFEDSA-N 1 2 342.349 2.921 40 0 EFABLO COc1ccc([C@H](NC(=O)C2CCCC2)c2[nH+]ccn2C)cc1OC ZINC000012114960 211293907 /nfs/dbraw/zinc/29/39/07/211293907.db2.gz HGTLRRPPHHCFCZ-KRWDZBQOSA-N 1 2 343.427 2.833 40 0 EFABLO COC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@@H](C)O1 ZINC000092013038 218105128 /nfs/dbraw/zinc/10/51/28/218105128.db2.gz BVPXKZBVKLUQQN-FZKQIMNGSA-N 1 2 344.386 2.650 40 0 EFABLO COC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@@H](C)O1 ZINC000092013038 218105130 /nfs/dbraw/zinc/10/51/30/218105130.db2.gz BVPXKZBVKLUQQN-FZKQIMNGSA-N 1 2 344.386 2.650 40 0 EFABLO C[N@H+](CCOC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000095400883 218335740 /nfs/dbraw/zinc/33/57/40/218335740.db2.gz CUGNSBKKYKETBI-ROUUACIJSA-N 1 2 345.418 2.833 40 0 EFABLO C[N@@H+](CCOC[C@@H]1CCCO1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000095400883 218335741 /nfs/dbraw/zinc/33/57/41/218335741.db2.gz CUGNSBKKYKETBI-ROUUACIJSA-N 1 2 345.418 2.833 40 0 EFABLO Cc1cccnc1NC(=O)[C@@H]1CCCN(c2nc(C)[nH+]c(C)c2C)C1 ZINC000095416485 218354899 /nfs/dbraw/zinc/35/48/99/218354899.db2.gz GOQVRRXEXMVWPV-MRXNPFEDSA-N 1 2 339.443 2.960 40 0 EFABLO COCCN(Cc1ccccn1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000096410050 218763426 /nfs/dbraw/zinc/76/34/26/218763426.db2.gz KWUARZJBFWAJCE-UHFFFAOYSA-N 1 2 336.395 2.556 40 0 EFABLO O=C1C[N@@H+](C2CCCCC2)CC(=O)N2[C@@H](c3ccccc3)CCCN12 ZINC000005707522 296333420 /nfs/dbraw/zinc/33/34/20/296333420.db2.gz LLIAAFMKKYUDMC-GOSISDBHSA-N 1 2 341.455 2.742 40 0 EFABLO O=C1C[N@H+](C2CCCCC2)CC(=O)N2[C@@H](c3ccccc3)CCCN12 ZINC000005707522 296333421 /nfs/dbraw/zinc/33/34/21/296333421.db2.gz LLIAAFMKKYUDMC-GOSISDBHSA-N 1 2 341.455 2.742 40 0 EFABLO Cc1cc(NC(=O)CCN2C(=O)CCc3cc(F)ccc32)cc[nH+]1 ZINC000096423706 218790393 /nfs/dbraw/zinc/79/03/93/218790393.db2.gz FMUDDQPVAWNWDJ-UHFFFAOYSA-N 1 2 327.359 2.837 40 0 EFABLO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(O)(c2ccccc2F)CC1 ZINC000004967550 210342009 /nfs/dbraw/zinc/34/20/09/210342009.db2.gz VBWFUJBANZVJRM-QAPCUYQASA-N 1 2 348.462 2.804 40 0 EFABLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccnc1C(F)(F)F ZINC000097231463 219000377 /nfs/dbraw/zinc/00/03/77/219000377.db2.gz OZDVFOIUUCCJEQ-NSHDSACASA-N 1 2 336.317 2.504 40 0 EFABLO COc1cc(-c2ccccc2)ccc1C[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000097237278 219003238 /nfs/dbraw/zinc/00/32/38/219003238.db2.gz XNNQSIRRBASUCT-GOSISDBHSA-N 1 2 345.464 2.981 40 0 EFABLO COc1cc(-c2ccccc2)ccc1C[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000097237278 219003239 /nfs/dbraw/zinc/00/32/39/219003239.db2.gz XNNQSIRRBASUCT-GOSISDBHSA-N 1 2 345.464 2.981 40 0 EFABLO CCc1onc(C)c1NC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000119029851 221227191 /nfs/dbraw/zinc/22/71/91/221227191.db2.gz JOINCBVUXFRICT-UHFFFAOYSA-N 1 2 349.460 2.660 40 0 EFABLO COc1cccc(-c2nnc([C@H]([NH3+])c3ccc(OC)c(OC)c3)[nH]2)c1 ZINC000095533808 257701177 /nfs/dbraw/zinc/70/11/77/257701177.db2.gz MXPQKQLRFNBPLF-MRXNPFEDSA-N 1 2 340.383 2.546 40 0 EFABLO CC(=O)N1Cc2ccccc2[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306129707 257919942 /nfs/dbraw/zinc/91/99/42/257919942.db2.gz IKPIAMYDWSZOPW-IBGZPJMESA-N 1 2 332.407 2.820 40 0 EFABLO O=c1cc(CO)oc([C@H](Nc2cccc[nH+]2)c2ccccc2F)c1O ZINC000020218801 258057382 /nfs/dbraw/zinc/05/73/82/258057382.db2.gz IUEFYIIYHYEQMM-MRXNPFEDSA-N 1 2 342.326 2.573 40 0 EFABLO COCc1noc([C@@H](C)[NH+]2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000181888339 533296780 /nfs/dbraw/zinc/29/67/80/533296780.db2.gz FXINFCQPVAAEMD-GFCCVEGCSA-N 1 2 335.379 2.960 40 0 EFABLO CCOC(=O)[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000124164521 222384948 /nfs/dbraw/zinc/38/49/48/222384948.db2.gz WMDBYDULTINBRC-CYBMUJFWSA-N 1 2 331.441 2.980 40 0 EFABLO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000124164521 222384950 /nfs/dbraw/zinc/38/49/50/222384950.db2.gz WMDBYDULTINBRC-CYBMUJFWSA-N 1 2 331.441 2.980 40 0 EFABLO CCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000096487523 544559520 /nfs/dbraw/zinc/55/95/20/544559520.db2.gz FFPMIAWIIQWKPU-HZPDHXFCSA-N 1 2 339.867 2.763 40 0 EFABLO CCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000096487523 544559525 /nfs/dbraw/zinc/55/95/25/544559525.db2.gz FFPMIAWIIQWKPU-HZPDHXFCSA-N 1 2 339.867 2.763 40 0 EFABLO CCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000096487520 544559642 /nfs/dbraw/zinc/55/96/42/544559642.db2.gz FFPMIAWIIQWKPU-JKSUJKDBSA-N 1 2 339.867 2.763 40 0 EFABLO CCCN(C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000096487520 544559646 /nfs/dbraw/zinc/55/96/46/544559646.db2.gz FFPMIAWIIQWKPU-JKSUJKDBSA-N 1 2 339.867 2.763 40 0 EFABLO COc1ccnc(N2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)n1 ZINC000129594821 544647526 /nfs/dbraw/zinc/64/75/26/544647526.db2.gz WRUBLDWGELPJNY-HIFRSBDPSA-N 1 2 328.416 2.524 40 0 EFABLO CCOc1ccccc1[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000280967218 273386497 /nfs/dbraw/zinc/38/64/97/273386497.db2.gz SRXCUHWQHJOMII-CRAIPNDOSA-N 1 2 346.471 2.906 40 0 EFABLO CCOc1ccccc1[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000280967218 273386498 /nfs/dbraw/zinc/38/64/98/273386498.db2.gz SRXCUHWQHJOMII-CRAIPNDOSA-N 1 2 346.471 2.906 40 0 EFABLO CCc1cnc(N2CCC3(C[C@H](Nc4cccc[nH+]4)CO3)CC2)nc1 ZINC000096221301 276682640 /nfs/dbraw/zinc/68/26/40/276682640.db2.gz XEPWQZUYZFUYSK-INIZCTEOSA-N 1 2 339.443 2.674 40 0 EFABLO CN1C(=O)CCc2cc(C[N@@H+]3CCO[C@H](c4nccs4)C3)ccc21 ZINC000186928945 277009129 /nfs/dbraw/zinc/00/91/29/277009129.db2.gz NXNITRLOAFTBDZ-INIZCTEOSA-N 1 2 343.452 2.626 40 0 EFABLO CN1C(=O)CCc2cc(C[N@H+]3CCO[C@H](c4nccs4)C3)ccc21 ZINC000186928945 277009130 /nfs/dbraw/zinc/00/91/30/277009130.db2.gz NXNITRLOAFTBDZ-INIZCTEOSA-N 1 2 343.452 2.626 40 0 EFABLO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1C ZINC000030029223 277101559 /nfs/dbraw/zinc/10/15/59/277101559.db2.gz UCNXFSHPASETFG-QGZVFWFLSA-N 1 2 339.439 2.963 40 0 EFABLO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1C ZINC000030029223 277101560 /nfs/dbraw/zinc/10/15/60/277101560.db2.gz UCNXFSHPASETFG-QGZVFWFLSA-N 1 2 339.439 2.963 40 0 EFABLO CC(=O)N1CCc2[nH+]cn(C(C)C)c2[C@@H]1C(=O)NC1CCCCCC1 ZINC000096037548 278061022 /nfs/dbraw/zinc/06/10/22/278061022.db2.gz ZORMEVZRCZJURO-GOSISDBHSA-N 1 2 346.475 2.749 40 0 EFABLO Cc1ncsc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449233 279179769 /nfs/dbraw/zinc/17/97/69/279179769.db2.gz TVPFAJRZHANJLX-ZIAGYGMSSA-N 1 2 337.395 2.905 40 0 EFABLO Cc1ncsc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449233 279179772 /nfs/dbraw/zinc/17/97/72/279179772.db2.gz TVPFAJRZHANJLX-ZIAGYGMSSA-N 1 2 337.395 2.905 40 0 EFABLO CCOC[C@@H]1CN(C(=O)c2ccoc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045122 279738150 /nfs/dbraw/zinc/73/81/50/279738150.db2.gz YXIKKCBFEMABIU-HNNXBMFYSA-N 1 2 329.400 2.662 40 0 EFABLO Cc1cccc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)n1 ZINC000072339886 281217871 /nfs/dbraw/zinc/21/78/71/281217871.db2.gz ROOMKPGBGSAMAO-UHFFFAOYSA-N 1 2 333.395 2.506 40 0 EFABLO Cc1cccc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)n1 ZINC000072339886 281217877 /nfs/dbraw/zinc/21/78/77/281217877.db2.gz ROOMKPGBGSAMAO-UHFFFAOYSA-N 1 2 333.395 2.506 40 0 EFABLO C[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@H+]1CC1CCCCC1 ZINC000253592618 289099609 /nfs/dbraw/zinc/09/96/09/289099609.db2.gz XIAYFWDSGBIKQQ-OAHLLOKOSA-N 1 2 328.460 2.852 40 0 EFABLO C[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@@H+]1CC1CCCCC1 ZINC000253592618 289099612 /nfs/dbraw/zinc/09/96/12/289099612.db2.gz XIAYFWDSGBIKQQ-OAHLLOKOSA-N 1 2 328.460 2.852 40 0 EFABLO Cc1nc(C[N@@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cs1 ZINC000096042583 293269836 /nfs/dbraw/zinc/26/98/36/293269836.db2.gz QNDDZMVFDFSQTR-INMHGKMJSA-N 1 2 331.441 2.657 40 0 EFABLO Cc1nc(C[N@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)cs1 ZINC000096042583 293269837 /nfs/dbraw/zinc/26/98/37/293269837.db2.gz QNDDZMVFDFSQTR-INMHGKMJSA-N 1 2 331.441 2.657 40 0 EFABLO Cc1cnn([C@@H]2CCN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)C2)c1 ZINC000290672991 294153069 /nfs/dbraw/zinc/15/30/69/294153069.db2.gz IERMZXFJUXRAMJ-GOEBONIOSA-N 1 2 326.448 2.669 40 0 EFABLO Cc1cnn([C@@H]2CCN(c3cc(N4CCC[C@H](C)C4)nc[nH+]3)C2)c1 ZINC000290672991 294153072 /nfs/dbraw/zinc/15/30/72/294153072.db2.gz IERMZXFJUXRAMJ-GOEBONIOSA-N 1 2 326.448 2.669 40 0 EFABLO COc1ccc([C@@H]2Cn3ccnc3C[N@@H+]2CC2CCOCC2)cc1 ZINC000257315620 295227205 /nfs/dbraw/zinc/22/72/05/295227205.db2.gz VCDVEIDOLLOWOP-SFHVURJKSA-N 1 2 327.428 2.875 40 0 EFABLO COc1ccc([C@@H]2Cn3ccnc3C[N@H+]2CC2CCOCC2)cc1 ZINC000257315620 295227207 /nfs/dbraw/zinc/22/72/07/295227207.db2.gz VCDVEIDOLLOWOP-SFHVURJKSA-N 1 2 327.428 2.875 40 0 EFABLO Cc1cc(NCc2csc(N(C)C)n2)nc(-c2cccnc2)[nH+]1 ZINC000301475176 311139402 /nfs/dbraw/zinc/13/94/02/311139402.db2.gz NMPRQJAPUXIMRI-UHFFFAOYSA-N 1 2 326.429 2.982 40 0 EFABLO OC[C@H]1CCCN(c2cc(N[C@H]3CCCC(F)(F)C3)[nH+]cn2)C1 ZINC000330172170 311308155 /nfs/dbraw/zinc/30/81/55/311308155.db2.gz GDIXWYDDDJORFA-STQMWFEESA-N 1 2 326.391 2.675 40 0 EFABLO OC[C@H]1CCCN(c2cc(N[C@H]3CCCC(F)(F)C3)nc[nH+]2)C1 ZINC000330172170 311308156 /nfs/dbraw/zinc/30/81/56/311308156.db2.gz GDIXWYDDDJORFA-STQMWFEESA-N 1 2 326.391 2.675 40 0 EFABLO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000578489634 320210464 /nfs/dbraw/zinc/21/04/64/320210464.db2.gz KEWGHNXFEWGDNG-INIZCTEOSA-N 1 2 329.448 2.780 40 0 EFABLO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1cn(C(C)(C)C)nn1 ZINC000578489634 320210466 /nfs/dbraw/zinc/21/04/66/320210466.db2.gz KEWGHNXFEWGDNG-INIZCTEOSA-N 1 2 329.448 2.780 40 0 EFABLO O=C(Nc1cnn(-c2ccccn2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000088390417 323213473 /nfs/dbraw/zinc/21/34/73/323213473.db2.gz ATVYNBNDOYNUNO-AWEZNQCLSA-N 1 2 337.387 2.750 40 0 EFABLO CC[C@H]([NH2+]Cc1cc(=O)n2c(C)csc2n1)c1c(C)noc1C ZINC000097374104 323214732 /nfs/dbraw/zinc/21/47/32/323214732.db2.gz KUMVETALNKGBCM-ZDUSSCGKSA-N 1 2 332.429 2.910 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000195573822 323530022 /nfs/dbraw/zinc/53/00/22/323530022.db2.gz KJZOMYIPAQFVSK-MRXNPFEDSA-N 1 2 334.464 2.640 40 0 EFABLO COc1ccc([C@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)cc1OC ZINC000095533782 473222133 /nfs/dbraw/zinc/22/21/33/473222133.db2.gz GULLJVQGPCBNMJ-HNNXBMFYSA-N 1 2 328.347 2.676 40 0 EFABLO CCOc1ccc([C@@H]([NH3+])c2nc([C@H]3CCCO3)n[nH]2)cc1OCC ZINC000095534595 473224117 /nfs/dbraw/zinc/22/41/17/473224117.db2.gz NORSXFZMTVZFCK-UKRRQHHQSA-N 1 2 332.404 2.502 40 0 EFABLO CCOc1cc([C@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)ccc1OC ZINC000095534386 473224243 /nfs/dbraw/zinc/22/42/43/473224243.db2.gz NHLAVLNXYDINDN-INIZCTEOSA-N 1 2 340.383 2.633 40 0 EFABLO CCOc1cc([C@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)ccc1OC ZINC000095534386 473224249 /nfs/dbraw/zinc/22/42/49/473224249.db2.gz NHLAVLNXYDINDN-INIZCTEOSA-N 1 2 340.383 2.633 40 0 EFABLO CC(C)COC[C@@H]1CN(C(=O)Cc2cccs2)Cc2[nH+]cn(C)c21 ZINC000096044854 473265532 /nfs/dbraw/zinc/26/55/32/473265532.db2.gz LSRYLGQNQZOUIY-AWEZNQCLSA-N 1 2 347.484 2.823 40 0 EFABLO c1csc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)n1 ZINC000096040340 473262205 /nfs/dbraw/zinc/26/22/05/473262205.db2.gz DJSQOGBDTCYIJN-QAPCUYQASA-N 1 2 345.468 2.988 40 0 EFABLO c1csc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)n1 ZINC000096040340 473262212 /nfs/dbraw/zinc/26/22/12/473262212.db2.gz DJSQOGBDTCYIJN-QAPCUYQASA-N 1 2 345.468 2.988 40 0 EFABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096042182 473262927 /nfs/dbraw/zinc/26/29/27/473262927.db2.gz ACJNSVPNLVJRNJ-XYJFISCASA-N 1 2 345.468 2.795 40 0 EFABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@@H](OCc3cccnc3)CC[C@@H]21 ZINC000096042182 473262935 /nfs/dbraw/zinc/26/29/35/473262935.db2.gz ACJNSVPNLVJRNJ-XYJFISCASA-N 1 2 345.468 2.795 40 0 EFABLO Cc1cc(C[N@@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)no1 ZINC000096042500 473264605 /nfs/dbraw/zinc/26/46/05/473264605.db2.gz MBODESRHTNUUJA-ZACQAIPSSA-N 1 2 349.456 2.697 40 0 EFABLO Cc1cc(C[N@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)no1 ZINC000096042500 473264612 /nfs/dbraw/zinc/26/46/12/473264612.db2.gz MBODESRHTNUUJA-ZACQAIPSSA-N 1 2 349.456 2.697 40 0 EFABLO COC[C@H]1CN(Cc2c(C)noc2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045055 473267391 /nfs/dbraw/zinc/26/73/91/473267391.db2.gz QQFZOGYUYPOZQC-OAHLLOKOSA-N 1 2 330.432 2.644 40 0 EFABLO COC[C@H]1C[N@H+](Cc2c(C)noc2C)Cc2ncn(CC3CC3)c21 ZINC000096045055 473267404 /nfs/dbraw/zinc/26/74/04/473267404.db2.gz QQFZOGYUYPOZQC-OAHLLOKOSA-N 1 2 330.432 2.644 40 0 EFABLO COC[C@H]1C[N@@H+](Cc2c(C)noc2C)Cc2ncn(CC3CC3)c21 ZINC000096045055 473267407 /nfs/dbraw/zinc/26/74/07/473267407.db2.gz QQFZOGYUYPOZQC-OAHLLOKOSA-N 1 2 330.432 2.644 40 0 EFABLO c1csc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096048247 473270871 /nfs/dbraw/zinc/27/08/71/473270871.db2.gz QUIBTXVEQYJSMR-RDJZCZTQSA-N 1 2 331.441 2.741 40 0 EFABLO c1csc(C[N@H+]2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096048247 473270877 /nfs/dbraw/zinc/27/08/77/473270877.db2.gz QUIBTXVEQYJSMR-RDJZCZTQSA-N 1 2 331.441 2.741 40 0 EFABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)cc1 ZINC000096055276 473278875 /nfs/dbraw/zinc/27/88/75/473278875.db2.gz AOOYDEYZRXJGSY-CGTJXYLNSA-N 1 2 343.402 2.674 40 0 EFABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)cc1 ZINC000096055276 473278884 /nfs/dbraw/zinc/27/88/84/473278884.db2.gz AOOYDEYZRXJGSY-CGTJXYLNSA-N 1 2 343.402 2.674 40 0 EFABLO C[N@H+](Cc1ccco1)[C@@H]1CN(Cc2ccoc2)C[C@@H]2CCCO[C@H]12 ZINC000096057140 473281186 /nfs/dbraw/zinc/28/11/86/473281186.db2.gz HQTKSXOIQGDONB-UHOSZYNNSA-N 1 2 330.428 2.984 40 0 EFABLO C[N@@H+](Cc1ccco1)[C@@H]1CN(Cc2ccoc2)C[C@@H]2CCCO[C@H]12 ZINC000096057140 473281194 /nfs/dbraw/zinc/28/11/94/473281194.db2.gz HQTKSXOIQGDONB-UHOSZYNNSA-N 1 2 330.428 2.984 40 0 EFABLO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2nccs2)cs1 ZINC000096056576 473282122 /nfs/dbraw/zinc/28/21/22/473282122.db2.gz CXHFIXTXJAEGOD-ZIAGYGMSSA-N 1 2 348.497 2.674 40 0 EFABLO Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2nccs2)cs1 ZINC000096056576 473282127 /nfs/dbraw/zinc/28/21/27/473282127.db2.gz CXHFIXTXJAEGOD-ZIAGYGMSSA-N 1 2 348.497 2.674 40 0 EFABLO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@@H+](Cc1ccccn1)C2 ZINC000096059945 473283369 /nfs/dbraw/zinc/28/33/69/473283369.db2.gz GHDBQZDEUPZAAV-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO CCn1cc2c(n1)[C@@H](COCC1CC1)C[N@H+](Cc1ccccn1)C2 ZINC000096059945 473283376 /nfs/dbraw/zinc/28/33/76/473283376.db2.gz GHDBQZDEUPZAAV-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO COC[C@@H]1CN(C(=O)c2ccc(C)o2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060286 473284062 /nfs/dbraw/zinc/28/40/62/473284062.db2.gz FGMLZWKNTHNOAH-AWEZNQCLSA-N 1 2 329.400 2.581 40 0 EFABLO CCn1cc2c(n1)C[N@@H+](Cc1ccncc1)C[C@H]2COCC1CC1 ZINC000096060435 473284121 /nfs/dbraw/zinc/28/41/21/473284121.db2.gz XDQXLLSTGOCLKK-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO CCn1cc2c(n1)C[N@H+](Cc1ccncc1)C[C@H]2COCC1CC1 ZINC000096060435 473284129 /nfs/dbraw/zinc/28/41/29/473284129.db2.gz XDQXLLSTGOCLKK-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO COc1ccc(C[N@@H+]2CCc3c(COC(C)C)nn(C)c3C2)cc1 ZINC000096058973 473284422 /nfs/dbraw/zinc/28/44/22/473284422.db2.gz IMWFGKJYNHRFRI-UHFFFAOYSA-N 1 2 329.444 2.912 40 0 EFABLO COc1ccc(C[N@H+]2CCc3c(COC(C)C)nn(C)c3C2)cc1 ZINC000096058973 473284429 /nfs/dbraw/zinc/28/44/29/473284429.db2.gz IMWFGKJYNHRFRI-UHFFFAOYSA-N 1 2 329.444 2.912 40 0 EFABLO Cc1nc(C[N@@H+]2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096065947 473286438 /nfs/dbraw/zinc/28/64/38/473286438.db2.gz BKDUWXOZRARGBK-KURKYZTESA-N 1 2 345.468 2.795 40 0 EFABLO Cc1nc(C[N@H+]2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096065947 473286446 /nfs/dbraw/zinc/28/64/46/473286446.db2.gz BKDUWXOZRARGBK-KURKYZTESA-N 1 2 345.468 2.795 40 0 EFABLO Cc1cc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)no1 ZINC000096107373 473300750 /nfs/dbraw/zinc/30/07/50/473300750.db2.gz JUBJPLGFCCEURK-AEFFLSMTSA-N 1 2 329.400 2.581 40 0 EFABLO Cc1cc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)no1 ZINC000096107373 473300752 /nfs/dbraw/zinc/30/07/52/473300752.db2.gz JUBJPLGFCCEURK-AEFFLSMTSA-N 1 2 329.400 2.581 40 0 EFABLO Cn1c(CO[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2F)nc2ccccc21 ZINC000096112196 473305088 /nfs/dbraw/zinc/30/50/88/473305088.db2.gz IOISAHYSVGGUCF-QAPCUYQASA-N 1 2 340.402 2.707 40 0 biogenic,in-vitro EFABLO Cn1c(CO[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]2F)nc2ccccc21 ZINC000096112196 473305096 /nfs/dbraw/zinc/30/50/96/473305096.db2.gz IOISAHYSVGGUCF-QAPCUYQASA-N 1 2 340.402 2.707 40 0 biogenic,in-vitro EFABLO O=C(c1ccccc1)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096187983 473329460 /nfs/dbraw/zinc/32/94/60/473329460.db2.gz NMQCUYFRPGUJRK-MRXNPFEDSA-N 1 2 348.406 2.629 40 0 EFABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1nccs1)CC2)Cc1ccco1 ZINC000096197467 473334410 /nfs/dbraw/zinc/33/44/10/473334410.db2.gz CZLCJAJHQBSIQA-UHFFFAOYSA-N 1 2 343.456 2.580 40 0 EFABLO C[N@H+](Cc1cn2c(n1)CN(Cc1nccs1)CC2)Cc1ccco1 ZINC000096197467 473334414 /nfs/dbraw/zinc/33/44/14/473334414.db2.gz CZLCJAJHQBSIQA-UHFFFAOYSA-N 1 2 343.456 2.580 40 0 EFABLO O=C(NCc1cncc2c1CC[N@@H+](Cc1cccc(F)c1)C2)C1CC1 ZINC000096189499 473330653 /nfs/dbraw/zinc/33/06/53/473330653.db2.gz REJGCRABNZXJOJ-UHFFFAOYSA-N 1 2 339.414 2.805 40 0 EFABLO O=C(NCc1cncc2c1CC[N@H+](Cc1cccc(F)c1)C2)C1CC1 ZINC000096189499 473330658 /nfs/dbraw/zinc/33/06/58/473330658.db2.gz REJGCRABNZXJOJ-UHFFFAOYSA-N 1 2 339.414 2.805 40 0 EFABLO C[N@H+](Cc1cn2c(n1)CN(Cc1ccoc1)CC2)Cc1cccnc1 ZINC000096197484 473334328 /nfs/dbraw/zinc/33/43/28/473334328.db2.gz SMBFLGHREOCEHO-UHFFFAOYSA-N 1 2 337.427 2.519 40 0 EFABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1ccoc1)CC2)Cc1cccnc1 ZINC000096197484 473334332 /nfs/dbraw/zinc/33/43/32/473334332.db2.gz SMBFLGHREOCEHO-UHFFFAOYSA-N 1 2 337.427 2.519 40 0 EFABLO O=C(Cc1ccsc1)N1CCN(CC2CC2)c2[nH+]cccc2C1 ZINC000096198930 473334773 /nfs/dbraw/zinc/33/47/73/473334773.db2.gz XYDMHMDBSBNPFQ-UHFFFAOYSA-N 1 2 327.453 2.944 40 0 EFABLO Cc1cccc(CN2CCn3cc(CNc4cccc[nH+]4)nc3C2)n1 ZINC000096197506 473334636 /nfs/dbraw/zinc/33/46/36/473334636.db2.gz OLEZMMPZABIJJD-UHFFFAOYSA-N 1 2 334.427 2.609 40 0 EFABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2oc3ccccc3c2C)C1 ZINC000096205938 473341240 /nfs/dbraw/zinc/34/12/40/473341240.db2.gz PKPFTGZBGUGOSX-AWEZNQCLSA-N 1 2 339.395 2.856 40 0 EFABLO C[C@@H]1c2ncc(COCc3ccccn3)n2CC[N@@H+]1C1CCOCC1 ZINC000096218206 473352547 /nfs/dbraw/zinc/35/25/47/473352547.db2.gz LBWHSXQRPDEAHY-OAHLLOKOSA-N 1 2 342.443 2.551 40 0 EFABLO C[C@@H]1c2ncc(COCc3ccccn3)n2CC[N@H+]1C1CCOCC1 ZINC000096218206 473352553 /nfs/dbraw/zinc/35/25/53/473352553.db2.gz LBWHSXQRPDEAHY-OAHLLOKOSA-N 1 2 342.443 2.551 40 0 EFABLO O=C(Cc1ccccn1)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216721 473348871 /nfs/dbraw/zinc/34/88/71/473348871.db2.gz FKNDXNKTTPMTPY-HXUWFJFHSA-N 1 2 336.439 2.538 40 0 EFABLO O=C(c1ccsc1)N1CCO[C@@]2(CCCN(c3cccc[nH+]3)C2)C1 ZINC000096226378 473357414 /nfs/dbraw/zinc/35/74/14/473357414.db2.gz UBZYRADSWIBAGF-GOSISDBHSA-N 1 2 343.452 2.655 40 0 EFABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096244908 473363049 /nfs/dbraw/zinc/36/30/49/473363049.db2.gz SCNZJFOTZKITDL-DOMZBBRYSA-N 1 2 333.844 2.753 40 0 EFABLO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000096244908 473363054 /nfs/dbraw/zinc/36/30/54/473363054.db2.gz SCNZJFOTZKITDL-DOMZBBRYSA-N 1 2 333.844 2.753 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)n1 ZINC000096250569 473364736 /nfs/dbraw/zinc/36/47/36/473364736.db2.gz HFSGDDIQVIPFAJ-BHIYHBOVSA-N 1 2 339.439 2.843 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@H]32)n1 ZINC000096250569 473364739 /nfs/dbraw/zinc/36/47/39/473364739.db2.gz HFSGDDIQVIPFAJ-BHIYHBOVSA-N 1 2 339.439 2.843 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@H](C(=O)Nc3ccccc3)[C@@H](C1)O2 ZINC000096253383 473365458 /nfs/dbraw/zinc/36/54/58/473365458.db2.gz XVZMGSLXNCZUMS-SOLBZPMBSA-N 1 2 341.411 2.519 40 0 EFABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@H](C(=O)Nc3ccccc3)[C@@H](C1)O2 ZINC000096253383 473365466 /nfs/dbraw/zinc/36/54/66/473365466.db2.gz XVZMGSLXNCZUMS-SOLBZPMBSA-N 1 2 341.411 2.519 40 0 EFABLO COc1cc[nH+]c(CN2CCO[C@](C)(c3ccccc3)C2)c1OC ZINC000190698264 473366628 /nfs/dbraw/zinc/36/66/28/473366628.db2.gz BVDIIEGFRHIALF-IBGZPJMESA-N 1 2 328.412 2.846 40 0 EFABLO COc1ccnc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)c1OC ZINC000190698264 473366640 /nfs/dbraw/zinc/36/66/40/473366640.db2.gz BVDIIEGFRHIALF-IBGZPJMESA-N 1 2 328.412 2.846 40 0 EFABLO COc1ccnc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)c1OC ZINC000190698264 473366648 /nfs/dbraw/zinc/36/66/48/473366648.db2.gz BVDIIEGFRHIALF-IBGZPJMESA-N 1 2 328.412 2.846 40 0 EFABLO C[C@@](O)(CNC(=O)NCCc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000190739012 473380064 /nfs/dbraw/zinc/38/00/64/473380064.db2.gz USMCAZDFENVQTH-LJQANCHMSA-N 1 2 344.459 2.507 40 0 EFABLO C[NH+]1CCN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC1 ZINC000002744905 471419400 /nfs/dbraw/zinc/41/94/00/471419400.db2.gz PMXJJNSTIZVAEB-UHFFFAOYSA-N 1 2 334.803 2.900 40 0 EFABLO COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[N@H+](C)C2 ZINC000004223470 471461345 /nfs/dbraw/zinc/46/13/45/471461345.db2.gz KZRXHOAFTYOHOX-UHFFFAOYSA-N 1 2 348.399 2.914 40 0 EFABLO COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[N@@H+](C)C2 ZINC000004223470 471461350 /nfs/dbraw/zinc/46/13/50/471461350.db2.gz KZRXHOAFTYOHOX-UHFFFAOYSA-N 1 2 348.399 2.914 40 0 EFABLO Cc1nn(-c2ccccc2)nc1C(=O)OCc1cn2cc(C)ccc2[nH+]1 ZINC000008425166 471687969 /nfs/dbraw/zinc/68/79/69/471687969.db2.gz HCHQYOUAFIEMQG-UHFFFAOYSA-N 1 2 347.378 2.889 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(F)cc1 ZINC000012601894 471784665 /nfs/dbraw/zinc/78/46/65/471784665.db2.gz ORQQVAXVZHCCBF-KRWDZBQOSA-N 1 2 349.369 2.955 40 0 EFABLO Cc1cc2occ(CC(=O)NCC(C)(C)[NH+]3CCOCC3)c2cc1C ZINC000012918930 471804834 /nfs/dbraw/zinc/80/48/34/471804834.db2.gz GHJRQTLCHJBZRQ-UHFFFAOYSA-N 1 2 344.455 2.819 40 0 EFABLO COc1cc2c(cc1C[NH2+][C@@H](C)c1nnc3ccccn31)O[C@H](C)C2 ZINC000012921062 471805149 /nfs/dbraw/zinc/80/51/49/471805149.db2.gz AAJMXJOUIIWZOK-OLZOCXBDSA-N 1 2 338.411 2.912 40 0 EFABLO COc1cc2c(cc1C[NH2+][C@@H](C)c1nnc3ccccn31)O[C@@H](C)C2 ZINC000012921068 471805747 /nfs/dbraw/zinc/80/57/47/471805747.db2.gz AAJMXJOUIIWZOK-STQMWFEESA-N 1 2 338.411 2.912 40 0 EFABLO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@H+](Cc2cccs2)C1 ZINC000015674513 471914152 /nfs/dbraw/zinc/91/41/52/471914152.db2.gz PMHYJOZEXAZOBR-OCCSQVGLSA-N 1 2 328.397 2.501 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)[N@@H+](Cc2cccs2)C1 ZINC000015674513 471914159 /nfs/dbraw/zinc/91/41/59/471914159.db2.gz PMHYJOZEXAZOBR-OCCSQVGLSA-N 1 2 328.397 2.501 40 0 biogenic,in-vitro EFABLO C[C@@H](C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)n1cc[nH+]c1 ZINC000019078236 471976319 /nfs/dbraw/zinc/97/63/19/471976319.db2.gz ZUVVMHXFLFXVGA-LSDHHAIUSA-N 1 2 331.391 2.901 40 0 EFABLO C[C@H](C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)n1cc[nH+]c1 ZINC000019078245 471976427 /nfs/dbraw/zinc/97/64/27/471976427.db2.gz ZUVVMHXFLFXVGA-CABCVRRESA-N 1 2 331.391 2.901 40 0 EFABLO CN1CCCc2cc(-c3c[nH+]cn3CC(=O)NC(C)(C)C)ccc21 ZINC000019720026 471984615 /nfs/dbraw/zinc/98/46/15/471984615.db2.gz FEIJWOFAYSXXCB-UHFFFAOYSA-N 1 2 326.444 2.847 40 0 EFABLO Cc1cc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)nc(C(C)C)[nH+]1 ZINC000024219572 472050323 /nfs/dbraw/zinc/05/03/23/472050323.db2.gz GUODYRZBSXLBTL-UHFFFAOYSA-N 1 2 347.850 2.852 40 0 EFABLO c1nn(-c2ccccn2)c2nc[nH+]c(N3CCc4ccccc4C3)c12 ZINC000041529485 472067216 /nfs/dbraw/zinc/06/72/16/472067216.db2.gz BMASATVMYNUCFR-UHFFFAOYSA-N 1 2 328.379 2.773 40 0 EFABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccnc1-n1cccn1 ZINC000025010641 472077051 /nfs/dbraw/zinc/07/70/51/472077051.db2.gz XYCIPQBKDNGHRO-UHFFFAOYSA-N 1 2 346.394 2.818 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)Nc1cccnc1)c1ccccc1F ZINC000025065590 472078778 /nfs/dbraw/zinc/07/87/78/472078778.db2.gz RMGJRHDDHPJMCM-OAHLLOKOSA-N 1 2 325.347 2.865 40 0 EFABLO COc1ccccc1COC[C@@H](O)Cn1c[nH+]c2cc(F)c(F)cc21 ZINC000025256563 472086720 /nfs/dbraw/zinc/08/67/20/472086720.db2.gz MWOVBBSGFUXQRN-ZDUSSCGKSA-N 1 2 348.349 2.901 40 0 EFABLO O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025248173 472087072 /nfs/dbraw/zinc/08/70/72/472087072.db2.gz PKIQYVPJNDILDA-UHFFFAOYSA-N 1 2 331.379 2.721 40 0 EFABLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000026898329 472154972 /nfs/dbraw/zinc/15/49/72/472154972.db2.gz JCQKPXHKGNJTQQ-FQEVSTJZSA-N 1 2 338.451 2.936 40 0 EFABLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000026898329 472154976 /nfs/dbraw/zinc/15/49/76/472154976.db2.gz JCQKPXHKGNJTQQ-FQEVSTJZSA-N 1 2 338.451 2.936 40 0 EFABLO O=c1cc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)occ1O ZINC000084372500 472171864 /nfs/dbraw/zinc/17/18/64/472171864.db2.gz FYDITXCWZYWERY-OAHLLOKOSA-N 1 2 333.359 2.666 40 0 EFABLO O=c1cc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)occ1O ZINC000084372500 472171871 /nfs/dbraw/zinc/17/18/71/472171871.db2.gz FYDITXCWZYWERY-OAHLLOKOSA-N 1 2 333.359 2.666 40 0 EFABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1coc2cc(C)ccc12 ZINC000043286427 472219637 /nfs/dbraw/zinc/21/96/37/472219637.db2.gz DDDHWZGFSUPTPK-MRXNPFEDSA-N 1 2 330.428 2.511 40 0 EFABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1coc2cc(C)ccc12 ZINC000043286424 472220101 /nfs/dbraw/zinc/22/01/01/472220101.db2.gz DDDHWZGFSUPTPK-INIZCTEOSA-N 1 2 330.428 2.511 40 0 EFABLO CCO[C@@H](C)c1noc(CN2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000075916180 472221841 /nfs/dbraw/zinc/22/18/41/472221841.db2.gz CMKOOASQRPNJOW-AWEZNQCLSA-N 1 2 348.422 2.624 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 ZINC000029068092 472248407 /nfs/dbraw/zinc/24/84/07/472248407.db2.gz PXGOIPLLWMTCGL-KRWDZBQOSA-N 1 2 331.379 2.816 40 0 EFABLO CC(C)C[C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCCCC1=O ZINC000087275961 472321355 /nfs/dbraw/zinc/32/13/55/472321355.db2.gz UJTOVENJNGHBAJ-HZPDHXFCSA-N 1 2 346.475 2.543 40 0 EFABLO C[C@H](C(=O)Nc1ccc(OCC2CCOCC2)cc1)n1cc[nH+]c1 ZINC000076649993 472380519 /nfs/dbraw/zinc/38/05/19/472380519.db2.gz OABHGQSKUGBMOI-CQSZACIVSA-N 1 2 329.400 2.888 40 0 EFABLO O=C(Cc1cn2ccccc2[nH+]1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000032452366 472436786 /nfs/dbraw/zinc/43/67/86/472436786.db2.gz SDTPTSVPMVSETP-UHFFFAOYSA-N 1 2 331.278 2.837 40 0 EFABLO O=C(NCCCc1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000097096524 472443455 /nfs/dbraw/zinc/44/34/55/472443455.db2.gz DXCYCUBJFJQZTR-UHFFFAOYSA-N 1 2 338.455 2.542 40 0 EFABLO Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc3[nH+]ccn3c2)cc1 ZINC000057778379 472473819 /nfs/dbraw/zinc/47/38/19/472473819.db2.gz KBXPJWNBBDOCKP-UHFFFAOYSA-N 1 2 345.362 2.551 40 0 EFABLO Cc1cccn2cc(COc3ccccc3C(=O)Nc3nc[nH]n3)[nH+]c12 ZINC000058714892 472595219 /nfs/dbraw/zinc/59/52/19/472595219.db2.gz NPDRFBCPHRFXRL-UHFFFAOYSA-N 1 2 348.366 2.592 40 0 EFABLO CC(C)C[N@@H+]1CCC[C@@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000072383503 472663701 /nfs/dbraw/zinc/66/37/01/472663701.db2.gz SALPXIAFFBDMGU-ZDUSSCGKSA-N 1 2 332.477 2.982 40 0 EFABLO CC(C)C[N@H+]1CCC[C@@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000072383503 472663707 /nfs/dbraw/zinc/66/37/07/472663707.db2.gz SALPXIAFFBDMGU-ZDUSSCGKSA-N 1 2 332.477 2.982 40 0 EFABLO C[NH+]1CCN(C(=O)CSc2nc3cc(Cl)ccc3s2)CC1 ZINC000060758807 472676991 /nfs/dbraw/zinc/67/69/91/472676991.db2.gz LHYMHLWEASSDKL-UHFFFAOYSA-N 1 2 341.889 2.816 40 0 EFABLO O=C(Nc1cc(F)c(F)cc1F)N1CCN(c2cccc[nH+]2)CC1 ZINC000105046312 472715764 /nfs/dbraw/zinc/71/57/64/472715764.db2.gz ZTRBOZCIDFZEAK-UHFFFAOYSA-N 1 2 336.317 2.853 40 0 EFABLO CNc1nc(NCc2nc(C)sc2C)[nH+]cc1Br ZINC000133691590 472832364 /nfs/dbraw/zinc/83/23/64/472832364.db2.gz OXADTFHEUBEWKT-UHFFFAOYSA-N 1 2 328.239 2.966 40 0 EFABLO CS(=O)(=O)CCn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000073702204 472857815 /nfs/dbraw/zinc/85/78/15/472857815.db2.gz FMMHZMBEJGBQCO-UHFFFAOYSA-N 1 2 329.425 2.693 40 0 EFABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000158360561 472928344 /nfs/dbraw/zinc/92/83/44/472928344.db2.gz YCIPGLSLJLPPRC-CQSZACIVSA-N 1 2 330.453 2.902 40 0 EFABLO CC(C)c1cc(N2CCN(c3cccnn3)CC2)nc(C(C)C)[nH+]1 ZINC000134766972 472963775 /nfs/dbraw/zinc/96/37/75/472963775.db2.gz BJVHEDVJRMQVSL-UHFFFAOYSA-N 1 2 326.448 2.840 40 0 EFABLO CC[N@H+](CCS(C)(=O)=O)Cc1cc(C)c(Br)s1 ZINC000093816060 473148346 /nfs/dbraw/zinc/14/83/46/473148346.db2.gz ZDPNXXHFCXPLFP-UHFFFAOYSA-N 1 2 340.308 2.686 40 0 EFABLO CC[N@@H+](CCS(C)(=O)=O)Cc1cc(C)c(Br)s1 ZINC000093816060 473148349 /nfs/dbraw/zinc/14/83/49/473148349.db2.gz ZDPNXXHFCXPLFP-UHFFFAOYSA-N 1 2 340.308 2.686 40 0 EFABLO COC(=O)C[NH+]1CCC(Nc2ccc(C)c(-c3ncco3)c2)CC1 ZINC000136293728 473149380 /nfs/dbraw/zinc/14/93/80/473149380.db2.gz SXTIPUBKYKZIEO-UHFFFAOYSA-N 1 2 329.400 2.699 40 0 EFABLO Cn1cc[nH+]c1C[C@H](NC(=O)Cc1ccccc1O)c1ccccc1 ZINC000075213008 473150628 /nfs/dbraw/zinc/15/06/28/473150628.db2.gz HCDJSJYPYVSWIV-KRWDZBQOSA-N 1 2 335.407 2.768 40 0 EFABLO Cc1c[nH+]ccc1NC(=O)C[C@H]1CCCN(C(=O)NCC(C)C)C1 ZINC000096420793 473399234 /nfs/dbraw/zinc/39/92/34/473399234.db2.gz IYWYIHHTIUNLFQ-OAHLLOKOSA-N 1 2 332.448 2.796 40 0 EFABLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000096420771 473399776 /nfs/dbraw/zinc/39/97/76/473399776.db2.gz MXMKDAJEJWQMTE-NEPJUHHUSA-N 1 2 339.317 2.739 40 0 EFABLO C[C@H](c1cccnc1)N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000096424291 473402141 /nfs/dbraw/zinc/40/21/41/473402141.db2.gz HIKQIERZLZHEMK-MZNJEOGPSA-N 1 2 343.496 2.568 40 0 EFABLO COC(=O)c1cccc(C[NH+]2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000096424329 473402948 /nfs/dbraw/zinc/40/29/48/473402948.db2.gz CVXFCLGHFAZALU-MRXNPFEDSA-N 1 2 339.439 2.747 40 0 EFABLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H](O)c2c(F)cccc2F)CC1 ZINC000096424318 473403058 /nfs/dbraw/zinc/40/30/58/473403058.db2.gz MAZUAMZEKJQILX-KSSFIOAISA-N 1 2 347.409 2.772 40 0 EFABLO C[C@@H](C(=O)N(C)c1nncs1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000185368288 473406249 /nfs/dbraw/zinc/40/62/49/473406249.db2.gz GCKYWBVLUZSBJT-AWEZNQCLSA-N 1 2 344.484 2.844 40 0 EFABLO COc1cc(OC)cc([C@H](Nc2cc[nH+]c(C)n2)c2nccn2C)c1 ZINC000096427297 473407459 /nfs/dbraw/zinc/40/74/59/473407459.db2.gz AISQGIVYHARWAM-KRWDZBQOSA-N 1 2 339.399 2.737 40 0 EFABLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000096435677 473415158 /nfs/dbraw/zinc/41/51/58/473415158.db2.gz SNUFHTPNYXELSW-GJZGRUSLSA-N 1 2 338.415 2.518 40 0 EFABLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@]12CCc1ccccc12 ZINC000096436026 473415301 /nfs/dbraw/zinc/41/53/01/473415301.db2.gz RWCXWLLATFBGLK-RXVVDRJESA-N 1 2 335.451 2.782 40 0 EFABLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000096435678 473415550 /nfs/dbraw/zinc/41/55/50/473415550.db2.gz SNUFHTPNYXELSW-CABCVRRESA-N 1 2 338.415 2.518 40 0 EFABLO Cc1ccc(CCNC(=O)NCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000096440079 473419379 /nfs/dbraw/zinc/41/93/79/473419379.db2.gz WWTUNERXKDLDSJ-UHFFFAOYSA-N 1 2 349.438 2.677 40 0 EFABLO CSc1ccc(OCC[NH+]2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000096441359 473419660 /nfs/dbraw/zinc/41/96/60/473419660.db2.gz OSZHURASOYLNAZ-KRWDZBQOSA-N 1 2 336.501 2.584 40 0 EFABLO CSc1ccc(OCC[NH+]2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000096441360 473420275 /nfs/dbraw/zinc/42/02/75/473420275.db2.gz OSZHURASOYLNAZ-QGZVFWFLSA-N 1 2 336.501 2.584 40 0 EFABLO CC(C)c1ccc(-c2ncc(C[N@@H+]3CCO[C@@H](C(N)=O)C3)s2)cc1 ZINC000096445688 473423909 /nfs/dbraw/zinc/42/39/09/473423909.db2.gz IYVYOQSAZHJUCK-MRXNPFEDSA-N 1 2 345.468 2.620 40 0 EFABLO CC(C)c1ccc(-c2ncc(C[N@H+]3CCO[C@@H](C(N)=O)C3)s2)cc1 ZINC000096445688 473423916 /nfs/dbraw/zinc/42/39/16/473423916.db2.gz IYVYOQSAZHJUCK-MRXNPFEDSA-N 1 2 345.468 2.620 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCN(c2cccs2)CC1 ZINC000096465828 473435043 /nfs/dbraw/zinc/43/50/43/473435043.db2.gz SMERZXQEIYPWJW-UHFFFAOYSA-N 1 2 347.488 2.632 40 0 EFABLO C[N@@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cc(=O)c(O)co1 ZINC000096470276 473435623 /nfs/dbraw/zinc/43/56/23/473435623.db2.gz KQEUHKWUXNOSNW-UHFFFAOYSA-N 1 2 329.274 2.876 40 0 EFABLO C[N@H+](Cc1cccc(OC(F)(F)F)c1)Cc1cc(=O)c(O)co1 ZINC000096470276 473435631 /nfs/dbraw/zinc/43/56/31/473435631.db2.gz KQEUHKWUXNOSNW-UHFFFAOYSA-N 1 2 329.274 2.876 40 0 EFABLO COc1cc(F)c(C(=O)NCc2cn3c(cccc3C)[nH+]2)cc1OC ZINC000096470308 473435983 /nfs/dbraw/zinc/43/59/83/473435983.db2.gz VMQJQVWVQMDCJU-UHFFFAOYSA-N 1 2 343.358 2.729 40 0 EFABLO C[C@@H](Sc1[nH+]cnc2c1cnn2C)c1cn(-c2ccccc2)nn1 ZINC000096471941 473437251 /nfs/dbraw/zinc/43/72/51/473437251.db2.gz PGWHXJRLOMUCFF-LLVKDONJSA-N 1 2 337.412 2.797 40 0 EFABLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000096475504 473438661 /nfs/dbraw/zinc/43/86/61/473438661.db2.gz GLEJUEUMMDMFAD-HNNXBMFYSA-N 1 2 332.425 2.822 40 0 EFABLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000096475504 473438664 /nfs/dbraw/zinc/43/86/64/473438664.db2.gz GLEJUEUMMDMFAD-HNNXBMFYSA-N 1 2 332.425 2.822 40 0 EFABLO Cc1cc(C(=O)N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)oc1C ZINC000096480724 473440428 /nfs/dbraw/zinc/44/04/28/473440428.db2.gz HYFADENJGYHMBC-HKUYNNGSSA-N 1 2 340.423 2.622 40 0 EFABLO Cc1cc(C(=O)N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)oc1C ZINC000096480724 473440430 /nfs/dbraw/zinc/44/04/30/473440430.db2.gz HYFADENJGYHMBC-HKUYNNGSSA-N 1 2 340.423 2.622 40 0 EFABLO CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(F)ccc1-n1cccn1 ZINC000096481386 473442685 /nfs/dbraw/zinc/44/26/85/473442685.db2.gz QZVJKMTZJDVTRF-UHFFFAOYSA-N 1 2 342.378 2.762 40 0 EFABLO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000096490067 473445946 /nfs/dbraw/zinc/44/59/46/473445946.db2.gz LDPUYSIRCDZNHM-IBGZPJMESA-N 1 2 338.407 2.917 40 0 EFABLO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000096490067 473445953 /nfs/dbraw/zinc/44/59/53/473445953.db2.gz LDPUYSIRCDZNHM-IBGZPJMESA-N 1 2 338.407 2.917 40 0 EFABLO COC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000096490065 473446487 /nfs/dbraw/zinc/44/64/87/473446487.db2.gz LDPUYSIRCDZNHM-LJQANCHMSA-N 1 2 338.407 2.917 40 0 EFABLO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000096490065 473446492 /nfs/dbraw/zinc/44/64/92/473446492.db2.gz LDPUYSIRCDZNHM-LJQANCHMSA-N 1 2 338.407 2.917 40 0 EFABLO Cc1ccc(-c2ncc(C[NH+]3CCN(C(=O)N(C)C)CC3)s2)o1 ZINC000096489736 473446613 /nfs/dbraw/zinc/44/66/13/473446613.db2.gz CPJQKXBWDZPROM-UHFFFAOYSA-N 1 2 334.445 2.511 40 0 EFABLO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)n1C ZINC000096490602 473446635 /nfs/dbraw/zinc/44/66/35/473446635.db2.gz VPDMOLPTBXYMSF-CQSZACIVSA-N 1 2 338.459 2.942 40 0 EFABLO CCc1nnc(C[N@H+]2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)n1C ZINC000096490602 473446640 /nfs/dbraw/zinc/44/66/40/473446640.db2.gz VPDMOLPTBXYMSF-CQSZACIVSA-N 1 2 338.459 2.942 40 0 EFABLO CCc1nnc(C[N@@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)n1C ZINC000096490602 473446644 /nfs/dbraw/zinc/44/66/44/473446644.db2.gz VPDMOLPTBXYMSF-CQSZACIVSA-N 1 2 338.459 2.942 40 0 EFABLO CCc1nnc(C[N@H+]2CCC[C@@H](c3nc4cc(C)ccc4[nH]3)C2)n1C ZINC000096490602 473446648 /nfs/dbraw/zinc/44/66/48/473446648.db2.gz VPDMOLPTBXYMSF-CQSZACIVSA-N 1 2 338.459 2.942 40 0 EFABLO COC(=O)c1ccc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)s1 ZINC000191219090 473511284 /nfs/dbraw/zinc/51/12/84/473511284.db2.gz VLAFUAKXKAINOP-ZDUSSCGKSA-N 1 2 337.470 2.558 40 0 EFABLO COC(=O)c1ccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)s1 ZINC000191219090 473511289 /nfs/dbraw/zinc/51/12/89/473511289.db2.gz VLAFUAKXKAINOP-ZDUSSCGKSA-N 1 2 337.470 2.558 40 0 EFABLO Cc1cc(=O)c(C(=O)Nc2c[nH+]c(N3CCCCC3)c(C)c2)c[nH]1 ZINC000165736452 473515190 /nfs/dbraw/zinc/51/51/90/473515190.db2.gz KVTQVXPAKGPPLB-UHFFFAOYSA-N 1 2 326.400 2.629 40 0 EFABLO CN(C)C(=O)c1ccc(Cl)c(NC(=O)c2ccc3[nH+]ccn3c2)c1 ZINC000170867590 473635683 /nfs/dbraw/zinc/63/56/83/473635683.db2.gz SQVWQQVRYWJPFZ-UHFFFAOYSA-N 1 2 342.786 2.942 40 0 EFABLO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000263521607 473767213 /nfs/dbraw/zinc/76/72/13/473767213.db2.gz RFMOODYSVVSCDP-CQSZACIVSA-N 1 2 328.815 2.850 40 0 EFABLO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000263521607 473767223 /nfs/dbraw/zinc/76/72/23/473767223.db2.gz RFMOODYSVVSCDP-CQSZACIVSA-N 1 2 328.815 2.850 40 0 EFABLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)CC1 ZINC000263521607 473767230 /nfs/dbraw/zinc/76/72/30/473767230.db2.gz RFMOODYSVVSCDP-CQSZACIVSA-N 1 2 328.815 2.850 40 0 EFABLO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)CC1 ZINC000263521607 473767237 /nfs/dbraw/zinc/76/72/37/473767237.db2.gz RFMOODYSVVSCDP-CQSZACIVSA-N 1 2 328.815 2.850 40 0 EFABLO O=S1(=O)CC[C@H]([N@H+](Cc2cccc(Cl)c2)C[C@@H]2CCCO2)C1 ZINC000246289071 473817172 /nfs/dbraw/zinc/81/71/72/473817172.db2.gz CGEQIGIXRMOFJL-HOTGVXAUSA-N 1 2 343.876 2.508 40 0 EFABLO O=S1(=O)CC[C@H]([N@@H+](Cc2cccc(Cl)c2)C[C@@H]2CCCO2)C1 ZINC000246289071 473817176 /nfs/dbraw/zinc/81/71/76/473817176.db2.gz CGEQIGIXRMOFJL-HOTGVXAUSA-N 1 2 343.876 2.508 40 0 EFABLO Cc1c(Br)ccc(NC(=O)NCCn2cc[nH+]c2)c1F ZINC000194211599 473860979 /nfs/dbraw/zinc/86/09/79/473860979.db2.gz IRAOZMYAJFIKTI-UHFFFAOYSA-N 1 2 341.184 2.915 40 0 EFABLO c1c[nH]c([C@@H]([NH2+]C[C@H]2COC3(CCCCCC3)O2)c2cccnc2)n1 ZINC000195102923 474006986 /nfs/dbraw/zinc/00/69/86/474006986.db2.gz HVURKGCOXYFEQW-IRXDYDNUSA-N 1 2 342.443 2.950 40 0 EFABLO C[C@H]1C[N@H+](CCSc2nnc(Cc3cccs3)o2)CCO1 ZINC000188309682 474053987 /nfs/dbraw/zinc/05/39/87/474053987.db2.gz LSBPUKBXPRCRJI-NSHDSACASA-N 1 2 325.459 2.535 40 0 EFABLO C[C@H]1C[N@@H+](CCSc2nnc(Cc3cccs3)o2)CCO1 ZINC000188309682 474053990 /nfs/dbraw/zinc/05/39/90/474053990.db2.gz LSBPUKBXPRCRJI-NSHDSACASA-N 1 2 325.459 2.535 40 0 EFABLO OCC[C@@H]1CCCCN1c1ccc(CNc2ncccc2F)c[nH+]1 ZINC000195536788 474091730 /nfs/dbraw/zinc/09/17/30/474091730.db2.gz MCUOQUSOEFZQQA-HNNXBMFYSA-N 1 2 330.407 2.969 40 0 EFABLO COc1ccc(-c2nc(Cc3noc(Cn4cc[nH+]c4)n3)co2)cc1 ZINC000195574638 474099081 /nfs/dbraw/zinc/09/90/81/474099081.db2.gz LATOPPLLLFGKQH-UHFFFAOYSA-N 1 2 337.339 2.569 40 0 EFABLO Fc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3COCC2CCOCC2)c1 ZINC000247537361 474175801 /nfs/dbraw/zinc/17/58/01/474175801.db2.gz QYQGJMIOTLODLN-GOSISDBHSA-N 1 2 349.446 2.860 40 0 EFABLO Fc1cccnc1OC[C@@H]1CCOC12C[NH+](Cc1cccs1)C2 ZINC000247561162 474182921 /nfs/dbraw/zinc/18/29/21/474182921.db2.gz YUAQOEIJGNBFQM-ZDUSSCGKSA-N 1 2 334.416 2.952 40 0 EFABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccc(F)cc1 ZINC000224351598 474196032 /nfs/dbraw/zinc/19/60/32/474196032.db2.gz GKVOSOOQHHRHAJ-UHFFFAOYSA-N 1 2 329.379 2.534 40 0 EFABLO CC[C@@H](C(=O)Nc1c[nH+]c(N(C)C)nc1N(C)C)c1ccccc1 ZINC000224350254 474197239 /nfs/dbraw/zinc/19/72/39/474197239.db2.gz PBNZWHCJPKITSS-CQSZACIVSA-N 1 2 327.432 2.741 40 0 EFABLO CC(C)Oc1ccc(CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000188801543 474201657 /nfs/dbraw/zinc/20/16/57/474201657.db2.gz QUFVHFPGRODRPS-QGZVFWFLSA-N 1 2 339.439 2.806 40 0 EFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@H](Oc1cccnc1)CS2 ZINC000247816925 474214027 /nfs/dbraw/zinc/21/40/27/474214027.db2.gz BPXFXIHJZYMREH-INIZCTEOSA-N 1 2 343.452 2.624 40 0 EFABLO CC(C)c1nc(N2CCc3nc[nH]c(=O)c3C2)cc(C(C)(C)C)[nH+]1 ZINC000225482575 474216833 /nfs/dbraw/zinc/21/68/33/474216833.db2.gz ZXIGPZHMRNGYMA-UHFFFAOYSA-N 1 2 327.432 2.544 40 0 EFABLO Fc1cccc(F)c1[C@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000225486581 474217880 /nfs/dbraw/zinc/21/78/80/474217880.db2.gz PNZFHNQOPZPQDP-ZDUSSCGKSA-N 1 2 346.381 2.585 40 0 EFABLO Fc1cccc(F)c1[C@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000225486581 474217886 /nfs/dbraw/zinc/21/78/86/474217886.db2.gz PNZFHNQOPZPQDP-ZDUSSCGKSA-N 1 2 346.381 2.585 40 0 EFABLO Cc1cccc(CO[C@H]2Cn3nccc3C[N@H+](Cc3ccoc3)C2)n1 ZINC000247864458 474219222 /nfs/dbraw/zinc/21/92/22/474219222.db2.gz HZROUQOBVISJBY-LJQANCHMSA-N 1 2 338.411 2.781 40 0 EFABLO Cc1cccc(CO[C@H]2Cn3nccc3C[N@@H+](Cc3ccoc3)C2)n1 ZINC000247864458 474219223 /nfs/dbraw/zinc/21/92/23/474219223.db2.gz HZROUQOBVISJBY-LJQANCHMSA-N 1 2 338.411 2.781 40 0 EFABLO c1cncc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)c1 ZINC000247893110 474221674 /nfs/dbraw/zinc/22/16/74/474221674.db2.gz UDMQEKRNLMUQSP-LJQANCHMSA-N 1 2 346.471 2.506 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CCO3)n1 ZINC000247886753 474222332 /nfs/dbraw/zinc/22/23/32/474222332.db2.gz UDIPVOJJPGZESV-QGZVFWFLSA-N 1 2 325.412 2.597 40 0 EFABLO Cc1cncc(CO[C@@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)c1 ZINC000247918116 474226415 /nfs/dbraw/zinc/22/64/15/474226415.db2.gz NAUJGPQIVFHUAS-LJQANCHMSA-N 1 2 339.439 2.735 40 0 EFABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cscn2)[C@H](C)C1 ZINC000225658191 474234559 /nfs/dbraw/zinc/23/45/59/474234559.db2.gz QFDCTGLFSMJSIS-CQSZACIVSA-N 1 2 345.468 2.888 40 0 EFABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cscn2)[C@H](C)C1 ZINC000225658191 474234564 /nfs/dbraw/zinc/23/45/64/474234564.db2.gz QFDCTGLFSMJSIS-CQSZACIVSA-N 1 2 345.468 2.888 40 0 EFABLO O=C1CCCN1CC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000248008132 474244865 /nfs/dbraw/zinc/24/48/65/474244865.db2.gz ULLJQPWHASGRTJ-MRXNPFEDSA-N 1 2 330.457 2.514 40 0 EFABLO O=C1CCCN1CC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000248008132 474244867 /nfs/dbraw/zinc/24/48/67/474244867.db2.gz ULLJQPWHASGRTJ-MRXNPFEDSA-N 1 2 330.457 2.514 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2COCc1ccncc1 ZINC000248029823 474248031 /nfs/dbraw/zinc/24/80/31/474248031.db2.gz LPTXGDJWTTXMCD-MRXNPFEDSA-N 1 2 345.468 2.654 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](OCc1cccnc1)CCO2 ZINC000248033960 474248189 /nfs/dbraw/zinc/24/81/89/474248189.db2.gz MSYQIKJYWPSCSY-INIZCTEOSA-N 1 2 345.468 2.797 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2COc1ccccn1 ZINC000248070203 474254749 /nfs/dbraw/zinc/25/47/49/474254749.db2.gz YFZYXSUAGUNFHK-AWEZNQCLSA-N 1 2 331.441 2.516 40 0 EFABLO COc1ccccc1C[NH+]1CC2(C1)C[C@H](Oc1ccccn1)CCO2 ZINC000248119064 474262407 /nfs/dbraw/zinc/26/24/07/474262407.db2.gz CUANCYIZWOPHCO-QGZVFWFLSA-N 1 2 340.423 2.903 40 0 EFABLO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3COc2ncccc2F)o1 ZINC000248128652 474264491 /nfs/dbraw/zinc/26/44/91/474264491.db2.gz XSLKCOGUHPKIHD-CQSZACIVSA-N 1 2 332.375 2.792 40 0 EFABLO Cc1ccc(CN2Cc3c[nH+]cn3[C@@H](COCc3ccncc3)C2)o1 ZINC000248130641 474266401 /nfs/dbraw/zinc/26/64/01/474266401.db2.gz YJQSZKOPLSDXGV-GOSISDBHSA-N 1 2 338.411 2.953 40 0 EFABLO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000189108054 474293211 /nfs/dbraw/zinc/29/32/11/474293211.db2.gz YNVBDXXVMCNZSB-UHFFFAOYSA-N 1 2 348.871 2.725 40 0 EFABLO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184475380 474521712 /nfs/dbraw/zinc/52/17/12/474521712.db2.gz DJQZVKKRMMHTOC-DGCLKSJQSA-N 1 2 347.488 2.630 40 0 EFABLO O=c1[nH]nc([C@H]2CCC[N@H+](Cc3csc(C4CCCC4)n3)C2)o1 ZINC000283918932 474526644 /nfs/dbraw/zinc/52/66/44/474526644.db2.gz GJWHHSULEPTRHG-LBPRGKRZSA-N 1 2 334.445 2.857 40 0 EFABLO O=c1[nH]nc([C@H]2CCC[N@@H+](Cc3csc(C4CCCC4)n3)C2)o1 ZINC000283918932 474526652 /nfs/dbraw/zinc/52/66/52/474526652.db2.gz GJWHHSULEPTRHG-LBPRGKRZSA-N 1 2 334.445 2.857 40 0 EFABLO CCOC1CC(CNc2ncc(Cl)cc2F)([NH+]2CCOCC2)C1 ZINC000239351888 474545303 /nfs/dbraw/zinc/54/53/03/474545303.db2.gz AAILLIZESZEWSZ-UHFFFAOYSA-N 1 2 343.830 2.556 40 0 EFABLO Cc1ccc(C2=NO[C@H](CNc3[nH+]cnc4c3cnn4C)C2)cc1C ZINC000240912243 474551444 /nfs/dbraw/zinc/55/14/44/474551444.db2.gz IWUCFOKEJUMXGJ-AWEZNQCLSA-N 1 2 336.399 2.585 40 0 EFABLO CC(C)n1cc[nH+]c1CNc1cccc(C(=O)N2CCC[C@H](O)C2)c1 ZINC000241161304 474553535 /nfs/dbraw/zinc/55/35/35/474553535.db2.gz JZUNURXEBXZHTQ-KRWDZBQOSA-N 1 2 342.443 2.673 40 0 EFABLO Cc1cc([C@@](C)(O)CNc2cc(N3CCSCC3)nc[nH+]2)c(C)o1 ZINC000277323762 474581456 /nfs/dbraw/zinc/58/14/56/474581456.db2.gz DLEMAGFEIDICFF-KRWDZBQOSA-N 1 2 348.472 2.559 40 0 EFABLO Cc1cc([C@@](C)(O)CNc2cc(N3CCSCC3)[nH+]cn2)c(C)o1 ZINC000277323762 474581460 /nfs/dbraw/zinc/58/14/60/474581460.db2.gz DLEMAGFEIDICFF-KRWDZBQOSA-N 1 2 348.472 2.559 40 0 EFABLO OC[C@@H]1CCCN1c1cc(N2CCC[C@H]2c2ccsc2)nc[nH+]1 ZINC000267262336 474631788 /nfs/dbraw/zinc/63/17/88/474631788.db2.gz XCQLXOGFSCWAIE-GJZGRUSLSA-N 1 2 330.457 2.841 40 0 EFABLO OC[C@@H]1CCCN1c1cc(N2CCC[C@H]2c2ccsc2)[nH+]cn1 ZINC000267262336 474631793 /nfs/dbraw/zinc/63/17/93/474631793.db2.gz XCQLXOGFSCWAIE-GJZGRUSLSA-N 1 2 330.457 2.841 40 0 EFABLO COc1cccc([C@H]2CCCN2c2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000253418638 474744223 /nfs/dbraw/zinc/74/42/23/474744223.db2.gz ZOWBONUBWPTEBU-QGZVFWFLSA-N 1 2 340.427 2.663 40 0 EFABLO COc1cccc([C@H]2CCCN2c2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000253418638 474744230 /nfs/dbraw/zinc/74/42/30/474744230.db2.gz ZOWBONUBWPTEBU-QGZVFWFLSA-N 1 2 340.427 2.663 40 0 EFABLO Nc1[nH+]cnc(N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1Cl ZINC000253418085 474744349 /nfs/dbraw/zinc/74/43/49/474744349.db2.gz JKSOKASOTXWLDR-QWHCGFSZSA-N 1 2 336.798 2.944 40 0 EFABLO Nc1nc[nH+]c(N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)c1Cl ZINC000253418085 474744353 /nfs/dbraw/zinc/74/43/53/474744353.db2.gz JKSOKASOTXWLDR-QWHCGFSZSA-N 1 2 336.798 2.944 40 0 EFABLO COCCOc1ccc(Nc2ncnc3c2C[N@H+](C)CC3)cc1Cl ZINC000253424891 474748963 /nfs/dbraw/zinc/74/89/63/474748963.db2.gz RVKRMQOFRHQIJL-UHFFFAOYSA-N 1 2 348.834 2.887 40 0 EFABLO COCCOc1ccc(Nc2ncnc3c2C[N@@H+](C)CC3)cc1Cl ZINC000253424891 474748968 /nfs/dbraw/zinc/74/89/68/474748968.db2.gz RVKRMQOFRHQIJL-UHFFFAOYSA-N 1 2 348.834 2.887 40 0 EFABLO FCCn1ncnc1C[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000253425453 474750388 /nfs/dbraw/zinc/75/03/88/474750388.db2.gz CXWPZFKTORDPEI-ZDUSSCGKSA-N 1 2 349.479 2.963 40 0 EFABLO FCCn1ncnc1C[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000253425453 474750398 /nfs/dbraw/zinc/75/03/98/474750398.db2.gz CXWPZFKTORDPEI-ZDUSSCGKSA-N 1 2 349.479 2.963 40 0 EFABLO Cc1nc(C)c(C(=O)N2CC([N@@H+]3CCc4ccccc4C3)C2)s1 ZINC000253473474 474759858 /nfs/dbraw/zinc/75/98/58/474759858.db2.gz VGVFXIJFDUNJCR-UHFFFAOYSA-N 1 2 327.453 2.643 40 0 EFABLO Cc1nc(C)c(C(=O)N2CC([N@H+]3CCc4ccccc4C3)C2)s1 ZINC000253473474 474759864 /nfs/dbraw/zinc/75/98/64/474759864.db2.gz VGVFXIJFDUNJCR-UHFFFAOYSA-N 1 2 327.453 2.643 40 0 EFABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2ncccc2C)c1 ZINC000257257957 474926903 /nfs/dbraw/zinc/92/69/03/474926903.db2.gz KRTMCSYALWZWAJ-KRWDZBQOSA-N 1 2 348.406 2.992 40 0 EFABLO COc1ccccc1[C@H]1C[N@H+](CCC(F)(F)F)CCN1C(C)=O ZINC000257256316 474927132 /nfs/dbraw/zinc/92/71/32/474927132.db2.gz KKXXQCIVQCXIDP-CQSZACIVSA-N 1 2 330.350 2.853 40 0 EFABLO COc1ccccc1[C@H]1C[N@@H+](CCC(F)(F)F)CCN1C(C)=O ZINC000257256316 474927142 /nfs/dbraw/zinc/92/71/42/474927142.db2.gz KKXXQCIVQCXIDP-CQSZACIVSA-N 1 2 330.350 2.853 40 0 EFABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2ncccc2C)c1 ZINC000257257958 474927921 /nfs/dbraw/zinc/92/79/21/474927921.db2.gz KRTMCSYALWZWAJ-QGZVFWFLSA-N 1 2 348.406 2.992 40 0 EFABLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000257280643 474929229 /nfs/dbraw/zinc/92/92/29/474929229.db2.gz OLROMXBYNRRFPW-AWEZNQCLSA-N 1 2 336.482 2.926 40 0 EFABLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000257280643 474929241 /nfs/dbraw/zinc/92/92/41/474929241.db2.gz OLROMXBYNRRFPW-AWEZNQCLSA-N 1 2 336.482 2.926 40 0 EFABLO CNc1nccnc1[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257298148 474938681 /nfs/dbraw/zinc/93/86/81/474938681.db2.gz RKKIGBHBSITRFF-QGZVFWFLSA-N 1 2 335.411 2.640 40 0 EFABLO CNc1nccnc1[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257298148 474938692 /nfs/dbraw/zinc/93/86/92/474938692.db2.gz RKKIGBHBSITRFF-QGZVFWFLSA-N 1 2 335.411 2.640 40 0 EFABLO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc(C)cn2C)cc1CO ZINC000257296794 474939175 /nfs/dbraw/zinc/93/91/75/474939175.db2.gz RELACKLZZSSKEE-KRWDZBQOSA-N 1 2 329.444 2.957 40 0 EFABLO CCOc1ccc(C[N@H+]2CCC[C@H]2c2nc(C)cn2C)cc1CO ZINC000257296794 474939182 /nfs/dbraw/zinc/93/91/82/474939182.db2.gz RELACKLZZSSKEE-KRWDZBQOSA-N 1 2 329.444 2.957 40 0 EFABLO COc1ccc(OCC(=O)N2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257300413 474941129 /nfs/dbraw/zinc/94/11/29/474941129.db2.gz RUEAGUHTZWVKEH-CQSZACIVSA-N 1 2 329.400 2.512 40 0 EFABLO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000257308465 474945109 /nfs/dbraw/zinc/94/51/09/474945109.db2.gz TWUXCEGJYXQLSO-CYBMUJFWSA-N 1 2 326.429 2.969 40 0 EFABLO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000257308465 474945115 /nfs/dbraw/zinc/94/51/15/474945115.db2.gz TWUXCEGJYXQLSO-CYBMUJFWSA-N 1 2 326.429 2.969 40 0 EFABLO C[N@H+](CC(=O)N1CCC(C)(c2nccs2)CC1)Cc1cccnc1 ZINC000257318603 474951105 /nfs/dbraw/zinc/95/11/05/474951105.db2.gz VORDFDWZWAAWIZ-UHFFFAOYSA-N 1 2 344.484 2.550 40 0 EFABLO C[N@@H+](CC(=O)N1CCC(C)(c2nccs2)CC1)Cc1cccnc1 ZINC000257318603 474951113 /nfs/dbraw/zinc/95/11/13/474951113.db2.gz VORDFDWZWAAWIZ-UHFFFAOYSA-N 1 2 344.484 2.550 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)[nH+]1 ZINC000257322889 474953367 /nfs/dbraw/zinc/95/33/67/474953367.db2.gz WHVQPJIUSMRXKH-HNNXBMFYSA-N 1 2 330.432 2.672 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cn4c(cccc4C)n3)C2)[nH+]1 ZINC000257324516 474955756 /nfs/dbraw/zinc/95/57/56/474955756.db2.gz WPAWUQCYRKVSCB-HNNXBMFYSA-N 1 2 337.427 2.704 40 0 EFABLO Cc1cc(-c2nccn2C)nc([C@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000257328240 474957466 /nfs/dbraw/zinc/95/74/66/474957466.db2.gz XEURCSWVELCYHW-OAHLLOKOSA-N 1 2 335.415 2.625 40 0 EFABLO c1csc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H](c3cnccn3)C2)c1 ZINC000257332206 474959659 /nfs/dbraw/zinc/95/96/59/474959659.db2.gz XWFVQMHKRITGPK-CQSZACIVSA-N 1 2 327.413 2.502 40 0 EFABLO c1csc(-c2n[nH]cc2C[N@H+]2CCO[C@@H](c3cnccn3)C2)c1 ZINC000257332206 474959666 /nfs/dbraw/zinc/95/96/66/474959666.db2.gz XWFVQMHKRITGPK-CQSZACIVSA-N 1 2 327.413 2.502 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc(C)nc3onc(C)c32)[nH+]1 ZINC000257337164 474962172 /nfs/dbraw/zinc/96/21/72/474962172.db2.gz YRSKTCVQTOGAOB-AWEZNQCLSA-N 1 2 339.399 2.859 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)C3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257342613 474963882 /nfs/dbraw/zinc/96/38/82/474963882.db2.gz ZPLGNXWPBCUEAB-MRXNPFEDSA-N 1 2 337.423 2.911 40 0 EFABLO Cc1cn(C)c([C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)n1 ZINC000257343229 474965494 /nfs/dbraw/zinc/96/54/94/474965494.db2.gz ZRZYWDPOIMGCJQ-SFHVURJKSA-N 1 2 349.438 2.759 40 0 EFABLO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)CCO2)n1 ZINC000257343229 474965499 /nfs/dbraw/zinc/96/54/99/474965499.db2.gz ZRZYWDPOIMGCJQ-SFHVURJKSA-N 1 2 349.438 2.759 40 0 EFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1CC ZINC000261363046 474973740 /nfs/dbraw/zinc/97/37/40/474973740.db2.gz FRTJSBHUZWXRHT-LBPRGKRZSA-O 1 2 331.421 2.524 40 0 EFABLO CC(C)(C)[C@@H]1C[N@H+](CCCS(=O)(=O)c2ccccc2)CCO1 ZINC000279801645 474994022 /nfs/dbraw/zinc/99/40/22/474994022.db2.gz PFDQUMSQSLKDGI-INIZCTEOSA-N 1 2 325.474 2.597 40 0 EFABLO CC(C)(C)[C@@H]1C[N@@H+](CCCS(=O)(=O)c2ccccc2)CCO1 ZINC000279801645 474994026 /nfs/dbraw/zinc/99/40/26/474994026.db2.gz PFDQUMSQSLKDGI-INIZCTEOSA-N 1 2 325.474 2.597 40 0 EFABLO CCn1cc(C2CC[NH+](Cc3nc(CC(F)(F)F)no3)CC2)cn1 ZINC000331982012 475475300 /nfs/dbraw/zinc/47/53/00/475475300.db2.gz WKYSZGHONJZFDV-UHFFFAOYSA-N 1 2 343.353 2.770 40 0 EFABLO CC1(C)CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@H](C(F)(F)F)O1 ZINC000296955554 475552344 /nfs/dbraw/zinc/55/23/44/475552344.db2.gz CKQJGZHQKGYRRW-LLVKDONJSA-N 1 2 342.321 2.908 40 0 EFABLO CC(C)(CNC(=O)Nc1cccc(N2CCCC2)c1)[NH+]1CCOCC1 ZINC000299121321 476134526 /nfs/dbraw/zinc/13/45/26/476134526.db2.gz VGZRMESXRGIEBY-UHFFFAOYSA-N 1 2 346.475 2.519 40 0 EFABLO C[C@@H](C[C@H](O)c1ccco1)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302875913 476209821 /nfs/dbraw/zinc/20/98/21/476209821.db2.gz FFORHSZGJXOABG-STQMWFEESA-N 1 2 334.445 2.547 40 0 EFABLO C[C@@H](C[C@H](O)c1ccco1)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302875913 476209830 /nfs/dbraw/zinc/20/98/30/476209830.db2.gz FFORHSZGJXOABG-STQMWFEESA-N 1 2 334.445 2.547 40 0 EFABLO O=S(=O)(CC[N@H+]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000390834027 476804270 /nfs/dbraw/zinc/80/42/70/476804270.db2.gz QKSDTINHJVHZFE-CQSZACIVSA-N 1 2 335.391 2.876 40 0 EFABLO O=S(=O)(CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000390834027 476804275 /nfs/dbraw/zinc/80/42/75/476804275.db2.gz QKSDTINHJVHZFE-CQSZACIVSA-N 1 2 335.391 2.876 40 0 EFABLO C[C@@H](N1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1)C(F)(F)F ZINC000390834346 476804664 /nfs/dbraw/zinc/80/46/64/476804664.db2.gz WWKMXHUIJVOENE-KGLIPLIRSA-N 1 2 349.441 2.592 40 0 EFABLO Fc1cccnc1OC[C@H]1CCn2nccc2C[N@@H+]1Cc1ccoc1 ZINC000585097650 479281049 /nfs/dbraw/zinc/28/10/49/479281049.db2.gz OWCHMHUAUMKPBN-MRXNPFEDSA-N 1 2 342.374 2.864 40 0 EFABLO Fc1cccnc1OC[C@H]1CCn2nccc2C[N@H+]1Cc1ccoc1 ZINC000585097650 479281054 /nfs/dbraw/zinc/28/10/54/479281054.db2.gz OWCHMHUAUMKPBN-MRXNPFEDSA-N 1 2 342.374 2.864 40 0 EFABLO Cc1ccoc1C(=O)N1CCn2c(CCOCC3CC3)c[nH+]c2[C@H]1C ZINC000585097743 479281609 /nfs/dbraw/zinc/28/16/09/479281609.db2.gz NSHYHBLAVQUERZ-CQSZACIVSA-N 1 2 343.427 2.971 40 0 EFABLO Cc1cccnc1C[N@@H+]1Cc2ccnn2CC[C@H]1COc1ccccn1 ZINC000585096765 479281864 /nfs/dbraw/zinc/28/18/64/479281864.db2.gz CMCXBMNBFOMGLQ-SFHVURJKSA-N 1 2 349.438 2.835 40 0 EFABLO Cc1cccnc1C[N@H+]1Cc2ccnn2CC[C@H]1COc1ccccn1 ZINC000585096765 479281870 /nfs/dbraw/zinc/28/18/70/479281870.db2.gz CMCXBMNBFOMGLQ-SFHVURJKSA-N 1 2 349.438 2.835 40 0 EFABLO c1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOc2ccccn2)nc1 ZINC000585102876 479284531 /nfs/dbraw/zinc/28/45/31/479284531.db2.gz LPUJBOPDGWGIKV-INIZCTEOSA-N 1 2 325.412 2.537 40 0 EFABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2C[C@@H]2C)CC3)c1 ZINC000585111381 479286902 /nfs/dbraw/zinc/28/69/02/479286902.db2.gz RKZXWJURPUXEGZ-YOEHRIQHSA-N 1 2 339.439 2.737 40 0 EFABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2C[C@H]2C)CC3)cc1 ZINC000585111085 479287166 /nfs/dbraw/zinc/28/71/66/479287166.db2.gz CWKDXZWDCNNVIH-CJNGLKHVSA-N 1 2 325.412 2.599 40 0 EFABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)[C@@H]1C[C@H]1C)CC2 ZINC000585111197 479287714 /nfs/dbraw/zinc/28/77/14/479287714.db2.gz ISHHBEYVDBUAOP-RHSMWYFYSA-N 1 2 339.439 2.737 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)C(C)C)C2)s1 ZINC000585112548 479289141 /nfs/dbraw/zinc/28/91/41/479289141.db2.gz SOUNLUFKHPYKPS-HNNXBMFYSA-N 1 2 346.500 2.972 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)C(C)C)C2)s1 ZINC000585112548 479289149 /nfs/dbraw/zinc/28/91/49/479289149.db2.gz SOUNLUFKHPYKPS-HNNXBMFYSA-N 1 2 346.500 2.972 40 0 EFABLO O=C(NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)C1CCC1 ZINC000585112546 479289557 /nfs/dbraw/zinc/28/95/57/479289557.db2.gz SOKXDNZBRGMRBF-HNNXBMFYSA-N 1 2 344.484 2.808 40 0 EFABLO O=C(NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)C1CCC1 ZINC000585112546 479289561 /nfs/dbraw/zinc/28/95/61/479289561.db2.gz SOKXDNZBRGMRBF-HNNXBMFYSA-N 1 2 344.484 2.808 40 0 EFABLO COC[C@@H](C)NC(=O)c1nc2c(o1)CC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC000585112634 479289711 /nfs/dbraw/zinc/28/97/11/479289711.db2.gz SIZZSRVDURNBGO-KGLIPLIRSA-N 1 2 343.427 2.559 40 0 EFABLO COC[C@@H](C)NC(=O)c1nc2c(o1)CC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC000585112634 479289714 /nfs/dbraw/zinc/28/97/14/479289714.db2.gz SIZZSRVDURNBGO-KGLIPLIRSA-N 1 2 343.427 2.559 40 0 EFABLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1Cc1cccc(C)c1 ZINC000585288674 479310010 /nfs/dbraw/zinc/31/00/10/479310010.db2.gz HFPHYXHIRUSCDA-WAQVGJNASA-N 1 2 339.439 2.838 40 0 EFABLO COc1cccc(C(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1OC ZINC000575605911 479450813 /nfs/dbraw/zinc/45/08/13/479450813.db2.gz NOTJFNSKCPCOMO-HNNXBMFYSA-N 1 2 342.395 2.782 40 0 EFABLO Fc1cccnc1O[C@H]1CSC2(C[NH+](Cc3nccs3)C2)C1 ZINC000247564393 518196127 /nfs/dbraw/zinc/19/61/27/518196127.db2.gz ZXENGMRARUZQKG-LLVKDONJSA-N 1 2 337.445 2.816 40 0 EFABLO CC(C)(C)n1cc(C[NH+]2CCC(OC[C@H]3CCCCO3)CC2)nn1 ZINC000191429219 526918405 /nfs/dbraw/zinc/91/84/05/526918405.db2.gz OGTGHBXLPPEPJE-QGZVFWFLSA-N 1 2 336.480 2.583 40 0 EFABLO COc1ncccc1C(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257242871 537151387 /nfs/dbraw/zinc/15/13/87/537151387.db2.gz IEOFRRXEKIYBPR-UHFFFAOYSA-N 1 2 325.412 2.889 40 0 EFABLO Cc1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)o1 ZINC000678615073 548962132 /nfs/dbraw/zinc/96/21/32/548962132.db2.gz MJASWRMRQMMODF-UHFFFAOYSA-N 1 2 349.456 2.842 40 0 EFABLO C[C@@H](Nc1nc[nH+]c(N)c1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000685915315 550194657 /nfs/dbraw/zinc/19/46/57/550194657.db2.gz BZGIWIRDBGYMBD-MRVPVSSYSA-N 1 2 337.777 2.787 40 0 EFABLO C[C@@H](Nc1[nH+]cnc(N)c1Cl)C1CCN(CC(F)(F)F)CC1 ZINC000685915315 550194658 /nfs/dbraw/zinc/19/46/58/550194658.db2.gz BZGIWIRDBGYMBD-MRVPVSSYSA-N 1 2 337.777 2.787 40 0 EFABLO O=S1(=O)CC[C@@]2(C1)CCC[N@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000828395666 1267736960 /nfs/dbraw/zinc/73/69/60/1267736960.db2.gz VVXPMCBSWLQVDB-SFHVURJKSA-N 1 2 346.452 2.742 40 0 EFABLO O=S1(=O)CC[C@@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000828395666 1267736963 /nfs/dbraw/zinc/73/69/63/1267736963.db2.gz VVXPMCBSWLQVDB-SFHVURJKSA-N 1 2 346.452 2.742 40 0 EFABLO O=C(Nc1nn(CC(F)F)c2ccccc21)[C@@H]1CCn2cc[nH+]c2C1 ZINC001262664135 1316478483 /nfs/dbraw/zinc/47/84/83/1316478483.db2.gz LFSPPKOERQMQAS-LLVKDONJSA-N 1 2 345.353 2.699 40 0 EFABLO Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3cccs3)CC2)cc1 ZINC000056921542 214395583 /nfs/dbraw/zinc/39/55/83/214395583.db2.gz AOXSJQRBKXLYTL-INIZCTEOSA-N 1 2 330.453 2.548 40 0 EFABLO Cc1csc2c([C@@H]3CCCN(C(=O)c4cncnc4)C3)[nH+]c(C)n12 ZINC000019240454 202001605 /nfs/dbraw/zinc/00/16/05/202001605.db2.gz NPTJVGPWZRMREV-CYBMUJFWSA-N 1 2 341.440 2.822 40 0 EFABLO COc1cccc(C[N@@H+](Cc2cnn(C)c2)C[C@@H]2CCCO2)c1OC ZINC000019290620 202002835 /nfs/dbraw/zinc/00/28/35/202002835.db2.gz JDMMFGHXXLZGNU-KRWDZBQOSA-N 1 2 345.443 2.619 40 0 EFABLO COc1cccc(C[N@H+](Cc2cnn(C)c2)C[C@@H]2CCCO2)c1OC ZINC000019290620 202002838 /nfs/dbraw/zinc/00/28/38/202002838.db2.gz JDMMFGHXXLZGNU-KRWDZBQOSA-N 1 2 345.443 2.619 40 0 EFABLO CCn1c2ccc(NC(=O)Cn3cc(C)nn3)cc2[nH+]c1C(C)C ZINC000019524252 202010386 /nfs/dbraw/zinc/01/03/86/202010386.db2.gz KAIOYZSITZIYCJ-UHFFFAOYSA-N 1 2 326.404 2.718 40 0 EFABLO COc1ccc(CC(=O)N2CC[N@H+](Cc3ccco3)C[C@@H]2C)cc1 ZINC000019575588 202013563 /nfs/dbraw/zinc/01/35/63/202013563.db2.gz UAQCMCRJYSWCSB-HNNXBMFYSA-N 1 2 328.412 2.564 40 0 EFABLO COc1ccc(CC(=O)N2CC[N@@H+](Cc3ccco3)C[C@@H]2C)cc1 ZINC000019575588 202013565 /nfs/dbraw/zinc/01/35/65/202013565.db2.gz UAQCMCRJYSWCSB-HNNXBMFYSA-N 1 2 328.412 2.564 40 0 EFABLO CCS(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019597033 202015169 /nfs/dbraw/zinc/01/51/69/202015169.db2.gz MCMKYMXOWWQNQE-UHFFFAOYSA-N 1 2 344.480 2.743 40 0 EFABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(O)cc2O)CC1 ZINC000184373682 235380349 /nfs/dbraw/zinc/38/03/49/235380349.db2.gz SIFMCJZUHBRHHM-LBPRGKRZSA-N 1 2 332.425 2.678 40 0 EFABLO C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2nccs2)CC1)c1ccccc1 ZINC000021335050 202064225 /nfs/dbraw/zinc/06/42/25/202064225.db2.gz MNRGVHHEFHLAAC-CABCVRRESA-N 1 2 344.484 2.531 40 0 EFABLO O=C(Nc1onc2c1CSC2)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038490506 202138960 /nfs/dbraw/zinc/13/89/60/202138960.db2.gz AYSNHBPROCXZOK-UHFFFAOYSA-N 1 2 326.381 2.919 40 0 EFABLO O[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000084963570 202185958 /nfs/dbraw/zinc/18/59/58/202185958.db2.gz WYBSAEPJYOAJIU-FXAWDEMLSA-N 1 2 345.414 2.777 40 0 EFABLO O[C@H](COCc1ccccc1)C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000084963570 202185961 /nfs/dbraw/zinc/18/59/61/202185961.db2.gz WYBSAEPJYOAJIU-FXAWDEMLSA-N 1 2 345.414 2.777 40 0 EFABLO CC(C)=CCC[C@H](C)CC[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000193234880 535364706 /nfs/dbraw/zinc/36/47/06/535364706.db2.gz QELFZLRTMAEYKL-ROUUACIJSA-N 1 2 342.549 2.564 40 0 EFABLO CCn1cc(-c2nnc(SCc3cn4ccccc4[nH+]3)o2)cn1 ZINC000032604050 202229438 /nfs/dbraw/zinc/22/94/38/202229438.db2.gz BWPQJCCENJCZMV-UHFFFAOYSA-N 1 2 326.385 2.893 40 0 EFABLO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc2ccccc2n1 ZINC000032778098 202234633 /nfs/dbraw/zinc/23/46/33/202234633.db2.gz OTLPMVYOHJAQGG-UHFFFAOYSA-N 1 2 329.363 2.746 40 0 EFABLO CC[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3OC)o2)CC1 ZINC000072265322 202359178 /nfs/dbraw/zinc/35/91/78/202359178.db2.gz URLNVGSMSLDYNQ-UHFFFAOYSA-N 1 2 330.384 2.858 40 0 EFABLO CCc1cnc(CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000074842436 202373232 /nfs/dbraw/zinc/37/32/32/202373232.db2.gz HYIMYZWBQRPFIG-LBPRGKRZSA-N 1 2 333.461 2.560 40 0 EFABLO C[C@@H]1[C@H](C)SCCN1C(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000075456248 202380565 /nfs/dbraw/zinc/38/05/65/202380565.db2.gz VPWUYGJMQHMNFS-CABCVRRESA-N 1 2 344.484 2.967 40 0 EFABLO CCc1ccccc1NC(=O)C(=O)NCCCCNc1cccc[nH+]1 ZINC000077836403 202395207 /nfs/dbraw/zinc/39/52/07/202395207.db2.gz RYBYMAUTNFODFT-UHFFFAOYSA-N 1 2 340.427 2.591 40 0 EFABLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc(C)cc2)cn1 ZINC000078556744 202397079 /nfs/dbraw/zinc/39/70/79/202397079.db2.gz WDPAPENVPAWDOU-UHFFFAOYSA-N 1 2 328.397 2.685 40 0 EFABLO Clc1ccc(N2CCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1 ZINC000077213150 202391809 /nfs/dbraw/zinc/39/18/09/202391809.db2.gz JVWMZDRYSLCABQ-UHFFFAOYSA-N 1 2 340.818 2.642 40 0 EFABLO CCc1noc(C[N@H+](C)CCOc2ccc3c(C)cc(=O)oc3c2)n1 ZINC000077277365 202391918 /nfs/dbraw/zinc/39/19/18/202391918.db2.gz SABLMESMDVXAMH-UHFFFAOYSA-N 1 2 343.383 2.558 40 0 EFABLO CCc1noc(C[N@@H+](C)CCOc2ccc3c(C)cc(=O)oc3c2)n1 ZINC000077277365 202391922 /nfs/dbraw/zinc/39/19/22/202391922.db2.gz SABLMESMDVXAMH-UHFFFAOYSA-N 1 2 343.383 2.558 40 0 EFABLO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@H](CO)c2ccccc2)c1 ZINC000077444945 202393271 /nfs/dbraw/zinc/39/32/71/202393271.db2.gz IGPJGOGVXSDNQX-QGZVFWFLSA-N 1 2 336.395 2.942 40 0 EFABLO Cc1nc2[nH]ccc2c(N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000080970673 202473194 /nfs/dbraw/zinc/47/31/94/202473194.db2.gz UNIWPLVLHKXFKF-OAHLLOKOSA-N 1 2 341.459 2.741 40 0 EFABLO CC(C)(C)[C@H]1C[N@H+](CCCS(=O)(=O)c2ccccc2)CCO1 ZINC000279801647 201323913 /nfs/dbraw/zinc/32/39/13/201323913.db2.gz PFDQUMSQSLKDGI-MRXNPFEDSA-N 1 2 325.474 2.597 40 0 EFABLO CC(C)(C)[C@H]1C[N@@H+](CCCS(=O)(=O)c2ccccc2)CCO1 ZINC000279801647 201323915 /nfs/dbraw/zinc/32/39/15/201323915.db2.gz PFDQUMSQSLKDGI-MRXNPFEDSA-N 1 2 325.474 2.597 40 0 EFABLO Cc1cc(C(F)(F)F)ccc1CNC(=O)NCCn1cc[nH+]c1 ZINC000191739966 239276731 /nfs/dbraw/zinc/27/67/31/239276731.db2.gz VEYWXGWAZFKCCN-UHFFFAOYSA-N 1 2 326.322 2.710 40 0 EFABLO O=C(C[N@H+](Cc1ccco1)C1CC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000023186302 212358200 /nfs/dbraw/zinc/35/82/00/212358200.db2.gz OAYQXRHNDVTUDI-UHFFFAOYSA-N 1 2 341.411 2.691 40 0 EFABLO O=C(C[N@@H+](Cc1ccco1)C1CC1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000023186302 212358203 /nfs/dbraw/zinc/35/82/03/212358203.db2.gz OAYQXRHNDVTUDI-UHFFFAOYSA-N 1 2 341.411 2.691 40 0 EFABLO C[C@@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180889 212357903 /nfs/dbraw/zinc/35/79/03/212357903.db2.gz NRUIGOGBFOVETN-PBHICJAKSA-N 1 2 330.453 2.940 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](OCc1ccncc1)CCO2 ZINC000248020844 240287338 /nfs/dbraw/zinc/28/73/38/240287338.db2.gz JAYFHVSMUFQOOE-INIZCTEOSA-N 1 2 345.468 2.797 40 0 EFABLO Cc1ccn(CCC(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)n1 ZINC000257339296 240314141 /nfs/dbraw/zinc/31/41/41/240314141.db2.gz ZBCRKLYAMAFHKT-UHFFFAOYSA-N 1 2 326.444 2.766 40 0 EFABLO COc1cccc(C=O)c1OCC[NH+]1CCN(c2ccccc2)CC1 ZINC000217788119 241275229 /nfs/dbraw/zinc/27/52/29/241275229.db2.gz RBTIINWADJNWLZ-UHFFFAOYSA-N 1 2 340.423 2.709 40 0 EFABLO S=C(NCCCn1cc[nH+]c1)Nc1nccc(-c2cccs2)n1 ZINC000225186017 241808570 /nfs/dbraw/zinc/80/85/70/241808570.db2.gz WWNORGBEBMTZPT-UHFFFAOYSA-N 1 2 344.469 2.778 40 0 EFABLO c1cn(CCCC2CCN(c3nnnn3-c3ccccc3)CC2)c[nH+]1 ZINC000242302428 243016790 /nfs/dbraw/zinc/01/67/90/243016790.db2.gz YSOCNEYTLFWOOJ-UHFFFAOYSA-N 1 2 337.431 2.556 40 0 EFABLO Cc1nc(C[N@H+]2CCCN(C(=O)N(C)C3CCCC3)CC2)cs1 ZINC000241862491 243003454 /nfs/dbraw/zinc/00/34/54/243003454.db2.gz SQKVFTSNJFIYFR-UHFFFAOYSA-N 1 2 336.505 2.954 40 0 EFABLO Cc1nc(C[N@@H+]2CCCN(C(=O)N(C)C3CCCC3)CC2)cs1 ZINC000241862491 243003458 /nfs/dbraw/zinc/00/34/58/243003458.db2.gz SQKVFTSNJFIYFR-UHFFFAOYSA-N 1 2 336.505 2.954 40 0 EFABLO c1cncc(OCC[C@H]2CCOC23C[NH+](Cc2ccncc2)C3)c1 ZINC000247859850 243466364 /nfs/dbraw/zinc/46/63/64/243466364.db2.gz ZGLWLAXZUIBEJZ-KRWDZBQOSA-N 1 2 325.412 2.537 40 0 EFABLO FC(F)CN1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000092586771 203086552 /nfs/dbraw/zinc/08/65/52/203086552.db2.gz CAJDOHAPHWWIJS-UHFFFAOYSA-N 1 2 334.370 2.652 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc(-n3ccnc3)nc2)cc[nH+]1 ZINC000257205273 244130880 /nfs/dbraw/zinc/13/08/80/244130880.db2.gz AYIFGPFURJNOHM-MRXNPFEDSA-N 1 2 348.410 2.681 40 0 EFABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CN(c3ncccn3)CCO2)nc1 ZINC000257207310 244139925 /nfs/dbraw/zinc/13/99/25/244139925.db2.gz BHEQLUJUJHUBMC-KRWDZBQOSA-N 1 2 348.410 2.897 40 0 EFABLO Cc1ccc2nc(C(=O)N(C)[C@H]3CCCN(c4cccc[nH+]4)C3)cn2c1 ZINC000257214303 244160116 /nfs/dbraw/zinc/16/01/16/244160116.db2.gz CLMVJZHAHITUPA-INIZCTEOSA-N 1 2 349.438 2.779 40 0 EFABLO Cc1nc(N2CCC[C@](C)(C(=O)NCc3ccc(F)cc3)C2)cc[nH+]1 ZINC000257216959 244169350 /nfs/dbraw/zinc/16/93/50/244169350.db2.gz CWWDONNUQQKMFU-IBGZPJMESA-N 1 2 342.418 2.847 40 0 EFABLO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000257221801 244189162 /nfs/dbraw/zinc/18/91/62/244189162.db2.gz DQODVGRQIDAUDQ-OAHLLOKOSA-N 1 2 333.457 2.501 40 0 EFABLO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000257221801 244189167 /nfs/dbraw/zinc/18/91/67/244189167.db2.gz DQODVGRQIDAUDQ-OAHLLOKOSA-N 1 2 333.457 2.501 40 0 EFABLO CC(C)Oc1ccc([C@H]2CN(C(=O)c3ccncc3)CC[N@@H+]2C)cc1 ZINC000257223560 244192680 /nfs/dbraw/zinc/19/26/80/244192680.db2.gz DXXXTNDLANAPLC-LJQANCHMSA-N 1 2 339.439 2.998 40 0 EFABLO CC(C)Oc1ccc([C@H]2CN(C(=O)c3ccncc3)CC[N@H+]2C)cc1 ZINC000257223560 244192687 /nfs/dbraw/zinc/19/26/87/244192687.db2.gz DXXXTNDLANAPLC-LJQANCHMSA-N 1 2 339.439 2.998 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)cc[nH+]1 ZINC000257225552 244199320 /nfs/dbraw/zinc/19/93/20/244199320.db2.gz FGSCTRXBJLDOMX-OAHLLOKOSA-N 1 2 328.416 2.677 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2Cc2c[nH]nc2-c2cccs2)[nH+]1 ZINC000257226649 244201189 /nfs/dbraw/zinc/20/11/89/244201189.db2.gz FLOIQHZKKKQHQM-ZDUSSCGKSA-N 1 2 329.429 2.743 40 0 EFABLO Cc1ccn(CCC(=O)N2Cc3[nH+]cc(C)n3C[C@H]2c2ccccc2)n1 ZINC000257218780 244178789 /nfs/dbraw/zinc/17/87/89/244178789.db2.gz DEKDBMHWVFRMGC-SFHVURJKSA-N 1 2 349.438 2.870 40 0 EFABLO CNc1nccnc1[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000257220068 244180350 /nfs/dbraw/zinc/18/03/50/244180350.db2.gz DJKCAVRFUUSROG-KRWDZBQOSA-N 1 2 335.411 2.640 40 0 EFABLO CNc1nccnc1[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000257220068 244180357 /nfs/dbraw/zinc/18/03/57/244180357.db2.gz DJKCAVRFUUSROG-KRWDZBQOSA-N 1 2 335.411 2.640 40 0 EFABLO COCC[N@@H+]1CCCC[C@@H]1c1cc(Nc2nncs2)nc(C)n1 ZINC000072382691 203210460 /nfs/dbraw/zinc/21/04/60/203210460.db2.gz ICJXHCHWMVKBFK-CYBMUJFWSA-N 1 2 334.449 2.554 40 0 EFABLO COCC[N@H+]1CCCC[C@@H]1c1cc(Nc2nncs2)nc(C)n1 ZINC000072382691 203210461 /nfs/dbraw/zinc/21/04/61/203210461.db2.gz ICJXHCHWMVKBFK-CYBMUJFWSA-N 1 2 334.449 2.554 40 0 EFABLO COCC(=O)N1CCC[C@H](c2cccc(-n3cc[nH+]c3C(C)C)n2)C1 ZINC000072378914 203211012 /nfs/dbraw/zinc/21/10/12/203211012.db2.gz DSCNTKUYPVHVGD-HNNXBMFYSA-N 1 2 342.443 2.743 40 0 EFABLO Cc1cc(N2CCC[C@@H]2c2cc(Nc3ncccn3)nc(C)n2)nc[nH+]1 ZINC000072382762 203211189 /nfs/dbraw/zinc/21/11/89/203211189.db2.gz MFZWZKIFJWNYSN-OAHLLOKOSA-N 1 2 348.414 2.759 40 0 EFABLO COc1cccc(C[N@@H+]2CCO[C@@H](CCc3cc(C)ncn3)C2)c1F ZINC000257244140 244253138 /nfs/dbraw/zinc/25/31/38/244253138.db2.gz IKAPZDDUKZSDFW-KRWDZBQOSA-N 1 2 345.418 2.766 40 0 EFABLO COc1cccc(C[N@H+]2CCO[C@@H](CCc3cc(C)ncn3)C2)c1F ZINC000257244140 244253143 /nfs/dbraw/zinc/25/31/43/244253143.db2.gz IKAPZDDUKZSDFW-KRWDZBQOSA-N 1 2 345.418 2.766 40 0 EFABLO CNc1cc([C@@H]2C[N@H+](CCc3ccc(F)cc3)CCO2)nc(C)n1 ZINC000072387849 203212155 /nfs/dbraw/zinc/21/21/55/203212155.db2.gz PTHYVVIDTBJSHC-KRWDZBQOSA-N 1 2 330.407 2.582 40 0 EFABLO CNc1cc([C@@H]2C[N@@H+](CCc3ccc(F)cc3)CCO2)nc(C)n1 ZINC000072387849 203212156 /nfs/dbraw/zinc/21/21/56/203212156.db2.gz PTHYVVIDTBJSHC-KRWDZBQOSA-N 1 2 330.407 2.582 40 0 EFABLO Cc1nc(C[N@@H+]2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)cs1 ZINC000257234036 244222118 /nfs/dbraw/zinc/22/21/18/244222118.db2.gz GRVIETDVYYCSCH-RDJZCZTQSA-N 1 2 333.457 2.559 40 0 EFABLO Cc1nc(C[N@H+]2CC[C@H](O)[C@@H](Oc3cccnc3C)CC2)cs1 ZINC000257234036 244222126 /nfs/dbraw/zinc/22/21/26/244222126.db2.gz GRVIETDVYYCSCH-RDJZCZTQSA-N 1 2 333.457 2.559 40 0 EFABLO c1c[nH+]c(CN2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)[nH]1 ZINC000257235045 244226585 /nfs/dbraw/zinc/22/65/85/244226585.db2.gz GWELTLXMTOMSHA-HNNXBMFYSA-N 1 2 336.399 2.517 40 0 EFABLO Cc1ccc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)o1 ZINC000072335466 203201797 /nfs/dbraw/zinc/20/17/97/203201797.db2.gz FFLCOVICCDUJAR-UHFFFAOYSA-N 1 2 328.416 2.632 40 0 EFABLO Cc1ccc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)o1 ZINC000072335466 203201801 /nfs/dbraw/zinc/20/18/01/203201801.db2.gz FFLCOVICCDUJAR-UHFFFAOYSA-N 1 2 328.416 2.632 40 0 EFABLO CCCc1ncc(C[N@@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cn1 ZINC000072343273 203203258 /nfs/dbraw/zinc/20/32/58/203203258.db2.gz JQZFTKFNBARSGJ-QZTJIDSGSA-N 1 2 336.439 2.972 40 0 EFABLO CCCc1ncc(C[N@H+]2C[C@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cn1 ZINC000072343273 203203261 /nfs/dbraw/zinc/20/32/61/203203261.db2.gz JQZFTKFNBARSGJ-QZTJIDSGSA-N 1 2 336.439 2.972 40 0 EFABLO O=C(Cc1ccccc1)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350572 203204332 /nfs/dbraw/zinc/20/43/32/203204332.db2.gz ZUKVENCTXCFDNR-KRWDZBQOSA-N 1 2 347.422 2.611 40 0 EFABLO O=C(Cc1ccccc1)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000072350571 203205267 /nfs/dbraw/zinc/20/52/67/203205267.db2.gz OPDDWKHGDDLJOO-UHFFFAOYSA-N 1 2 347.422 2.611 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)cc[nH+]1 ZINC000257240070 244240982 /nfs/dbraw/zinc/24/09/82/244240982.db2.gz HRXUKPQIYREQPT-KRWDZBQOSA-N 1 2 348.410 2.886 40 0 EFABLO CNC(=O)CCc1cc(C)nc([C@H]2CCCN2c2cc[nH+]c(C)n2)c1 ZINC000072360518 203205726 /nfs/dbraw/zinc/20/57/26/203205726.db2.gz QNMBADQFOIFUCI-QGZVFWFLSA-N 1 2 339.443 2.509 40 0 EFABLO CN(C)C(=O)CCc1cccc([C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000072360490 203206176 /nfs/dbraw/zinc/20/61/76/203206176.db2.gz OIYLSLXEVPFQRJ-INIZCTEOSA-N 1 2 338.455 2.881 40 0 EFABLO Cc1cc(C(=O)NCc2ccc(F)cc2)nc([C@H]2CCC[N@H+]2C)n1 ZINC000072365921 203208198 /nfs/dbraw/zinc/20/81/98/203208198.db2.gz AOXOBVODCOEJDA-MRXNPFEDSA-N 1 2 328.391 2.621 40 0 EFABLO Cc1cc(C(=O)NCc2ccc(F)cc2)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000072365921 203208202 /nfs/dbraw/zinc/20/82/02/203208202.db2.gz AOXOBVODCOEJDA-MRXNPFEDSA-N 1 2 328.391 2.621 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(C(C)C)[nH]c3=O)C2)[nH+]1 ZINC000257242152 244247383 /nfs/dbraw/zinc/24/73/83/244247383.db2.gz IBHYXABLWZIGCV-ZDUSSCGKSA-N 1 2 328.416 2.962 40 0 EFABLO Cn1ccnc1-c1nccnc1[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC000257249723 244265000 /nfs/dbraw/zinc/26/50/00/244265000.db2.gz JJNBUNUXFMEGJZ-CYBMUJFWSA-N 1 2 326.429 2.671 40 0 EFABLO Cn1ccnc1-c1nccnc1[C@H]1CCC[N@H+]1Cc1cscn1 ZINC000257249723 244265003 /nfs/dbraw/zinc/26/50/03/244265003.db2.gz JJNBUNUXFMEGJZ-CYBMUJFWSA-N 1 2 326.429 2.671 40 0 EFABLO CCCn1ccnc1C[N@@H+]1CCCC[C@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257251092 244267408 /nfs/dbraw/zinc/26/74/08/244267408.db2.gz JPIODIHEGLAQLM-HNNXBMFYSA-N 1 2 340.431 2.769 40 0 EFABLO CCCn1ccnc1C[N@H+]1CCCC[C@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257251092 244267412 /nfs/dbraw/zinc/26/74/12/244267412.db2.gz JPIODIHEGLAQLM-HNNXBMFYSA-N 1 2 340.431 2.769 40 0 EFABLO CCCn1cc[nH+]c1CN1CCCC[C@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257251092 244267417 /nfs/dbraw/zinc/26/74/17/244267417.db2.gz JPIODIHEGLAQLM-HNNXBMFYSA-N 1 2 340.431 2.769 40 0 EFABLO Cc1nc(NCCc2nccs2)cc([C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000257250204 244268422 /nfs/dbraw/zinc/26/84/22/244268422.db2.gz JLMRHIVXLQGCSY-OAHLLOKOSA-N 1 2 347.488 2.678 40 0 EFABLO Cc1nc(NCCc2nccs2)cc([C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000257250204 244268427 /nfs/dbraw/zinc/26/84/27/244268427.db2.gz JLMRHIVXLQGCSY-OAHLLOKOSA-N 1 2 347.488 2.678 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)c2noc3c2CCCC3)cc[nH+]1 ZINC000257257439 244285500 /nfs/dbraw/zinc/28/55/00/244285500.db2.gz KPOKCLQOCIERHJ-CQSZACIVSA-N 1 2 326.400 2.967 40 0 EFABLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccnn2C(C)C)cc1F ZINC000072978995 203252472 /nfs/dbraw/zinc/25/24/72/203252472.db2.gz ICGBDPKRWQHWBC-UHFFFAOYSA-N 1 2 334.395 2.682 40 0 EFABLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccnn2C(C)C)cc1F ZINC000072978995 203252473 /nfs/dbraw/zinc/25/24/73/203252473.db2.gz ICGBDPKRWQHWBC-UHFFFAOYSA-N 1 2 334.395 2.682 40 0 EFABLO Fc1cccc(C[NH+]2CC3(C2)CO[C@H](Cc2cncnc2)C3)c1F ZINC000257267778 244367218 /nfs/dbraw/zinc/36/72/18/244367218.db2.gz MISHXGAHINHXHB-OAHLLOKOSA-N 1 2 331.366 2.588 40 0 EFABLO O=C(c1ccncc1)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000257268326 244367876 /nfs/dbraw/zinc/36/78/76/244367876.db2.gz MLEIBRPWQXBBNR-MRXNPFEDSA-N 1 2 333.395 2.682 40 0 EFABLO CCOc1ncccc1C(=O)N1CCC[C@@H](c2cc[nH+]c(NC)c2)C1 ZINC000257269538 244372200 /nfs/dbraw/zinc/37/22/00/244372200.db2.gz MQJSLGRKEDJBMY-OAHLLOKOSA-N 1 2 340.427 2.937 40 0 EFABLO Cc1ccnc([C@@H]2C[N@H+](Cc3ccccc3N3CCCC3)CCO2)n1 ZINC000257269554 244372436 /nfs/dbraw/zinc/37/24/36/244372436.db2.gz MQLSZFDSLYDFED-IBGZPJMESA-N 1 2 338.455 2.959 40 0 EFABLO Cc1ccnc([C@@H]2C[N@@H+](Cc3ccccc3N3CCCC3)CCO2)n1 ZINC000257269554 244372447 /nfs/dbraw/zinc/37/24/47/244372447.db2.gz MQLSZFDSLYDFED-IBGZPJMESA-N 1 2 338.455 2.959 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)c2scnc2C)CC[N@@H+]1C ZINC000257262071 244350185 /nfs/dbraw/zinc/35/01/85/244350185.db2.gz LJXVDBCYHUYUGY-AWEZNQCLSA-N 1 2 331.441 2.589 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)c2scnc2C)CC[N@H+]1C ZINC000257262071 244350187 /nfs/dbraw/zinc/35/01/87/244350187.db2.gz LJXVDBCYHUYUGY-AWEZNQCLSA-N 1 2 331.441 2.589 40 0 EFABLO Cc1cc2nc(C3CC[NH+](Cc4cncs4)CC3)cc(=O)n2[nH]1 ZINC000257263502 244353520 /nfs/dbraw/zinc/35/35/20/244353520.db2.gz LQESDTSHFGJDIF-UHFFFAOYSA-N 1 2 329.429 2.579 40 0 EFABLO CCOC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2c1cnn2CC ZINC000096044626 203804275 /nfs/dbraw/zinc/80/42/75/203804275.db2.gz FYOSDQYRWCQLFI-HNNXBMFYSA-N 1 2 343.427 2.768 40 0 EFABLO CCOC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2c1cnn2CC ZINC000096044626 203804278 /nfs/dbraw/zinc/80/42/78/203804278.db2.gz FYOSDQYRWCQLFI-HNNXBMFYSA-N 1 2 343.427 2.768 40 0 EFABLO O=C(NCCCn1cc[nH+]c1)Nc1cc2c(cc1Cl)OCCO2 ZINC000043904114 204290474 /nfs/dbraw/zinc/29/04/74/204290474.db2.gz YBOYXNRCGVOFSV-UHFFFAOYSA-N 1 2 336.779 2.520 40 0 EFABLO COc1ccc(C[N@H+](C)CC(=O)Nc2ccnn2C(C)C)c(OC)c1 ZINC000044888997 204309216 /nfs/dbraw/zinc/30/92/16/204309216.db2.gz LTJMUFMSSLZBPG-UHFFFAOYSA-N 1 2 346.431 2.552 40 0 EFABLO COc1ccc(C[N@@H+](C)CC(=O)Nc2ccnn2C(C)C)c(OC)c1 ZINC000044888997 204309220 /nfs/dbraw/zinc/30/92/20/204309220.db2.gz LTJMUFMSSLZBPG-UHFFFAOYSA-N 1 2 346.431 2.552 40 0 EFABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000044448655 204299167 /nfs/dbraw/zinc/29/91/67/204299167.db2.gz YIAOBOIQRBYOBA-UHFFFAOYSA-N 1 2 333.819 2.903 40 0 EFABLO COc1ccccc1[C@@H](CNS(=O)(=O)c1ccc(C)cc1)[NH+](C)C ZINC000048325652 204345042 /nfs/dbraw/zinc/34/50/42/204345042.db2.gz KXXQLUJUPGFNEO-QGZVFWFLSA-N 1 2 348.468 2.585 40 0 EFABLO COc1ccccc1NC(=O)C[NH+]1CCC(c2nnc(C)s2)CC1 ZINC000049365573 204386631 /nfs/dbraw/zinc/38/66/31/204386631.db2.gz NOTXIFQSPAQHFR-UHFFFAOYSA-N 1 2 346.456 2.673 40 0 EFABLO O=C(CCc1ccc(F)cc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130395678 205237415 /nfs/dbraw/zinc/23/74/15/205237415.db2.gz AOICQBMXEJPGOI-QGZVFWFLSA-N 1 2 327.403 2.939 40 0 EFABLO C[N@H+](CCOC[C@H]1CCCO1)Cc1c(Cl)nc2sccn12 ZINC000095400859 218335568 /nfs/dbraw/zinc/33/55/68/218335568.db2.gz RTVLFWCOMCOEFQ-LLVKDONJSA-N 1 2 329.853 2.677 40 0 EFABLO C[N@@H+](CCOC[C@H]1CCCO1)Cc1c(Cl)nc2sccn12 ZINC000095400859 218335570 /nfs/dbraw/zinc/33/55/70/218335570.db2.gz RTVLFWCOMCOEFQ-LLVKDONJSA-N 1 2 329.853 2.677 40 0 EFABLO CCCNC(=O)C1([NH2+]Cc2nnc(SC)s2)CCCCC1 ZINC000095409820 218346294 /nfs/dbraw/zinc/34/62/94/218346294.db2.gz JVINOZDOMKXRRJ-UHFFFAOYSA-N 1 2 328.507 2.579 40 0 EFABLO Cc1ccoc1C(=O)NC1CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000095416509 218355122 /nfs/dbraw/zinc/35/51/22/218355122.db2.gz PUKXZGNNHHXNLR-UHFFFAOYSA-N 1 2 328.416 2.702 40 0 EFABLO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000012141480 207074602 /nfs/dbraw/zinc/07/46/02/207074602.db2.gz JCOCYYJBFWLOCW-UHFFFAOYSA-N 1 2 344.480 2.640 40 0 EFABLO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCc3ccccc3C2)cc1C ZINC000012141480 207074605 /nfs/dbraw/zinc/07/46/05/207074605.db2.gz JCOCYYJBFWLOCW-UHFFFAOYSA-N 1 2 344.480 2.640 40 0 EFABLO Cc1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000012531327 207166364 /nfs/dbraw/zinc/16/63/64/207166364.db2.gz JHNRWNNGJQOETQ-QGZVFWFLSA-N 1 2 341.436 2.796 40 0 EFABLO O=C(CCCn1cc[nH+]c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000096412592 218768866 /nfs/dbraw/zinc/76/88/66/218768866.db2.gz HEQHQNYSOJWPGB-LJQANCHMSA-N 1 2 345.418 2.775 40 0 EFABLO COc1cc2c(cc1C[NH2+][C@H](C)c1nnc3ccccn31)O[C@@H](C)C2 ZINC000012921078 207263629 /nfs/dbraw/zinc/26/36/29/207263629.db2.gz AAJMXJOUIIWZOK-QWHCGFSZSA-N 1 2 338.411 2.912 40 0 EFABLO COc1c(C)c[nH+]c(CN(C)C(=O)CCc2nc(C3CC3)no2)c1C ZINC000096416944 218777995 /nfs/dbraw/zinc/77/79/95/218777995.db2.gz VCBKGYNGUMEBTG-UHFFFAOYSA-N 1 2 344.415 2.559 40 0 EFABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H](C)c2cnn(C)c2)CC1 ZINC000096503153 218880418 /nfs/dbraw/zinc/88/04/18/218880418.db2.gz ZCCWYSFJOAWASL-UONOGXRCSA-N 1 2 347.488 2.631 40 0 EFABLO COc1cc(-c2ccccc2)ccc1C[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000097237280 219003656 /nfs/dbraw/zinc/00/36/56/219003656.db2.gz XNNQSIRRBASUCT-SFHVURJKSA-N 1 2 345.464 2.981 40 0 EFABLO COc1cc(-c2ccccc2)ccc1C[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000097237280 219003659 /nfs/dbraw/zinc/00/36/59/219003659.db2.gz XNNQSIRRBASUCT-SFHVURJKSA-N 1 2 345.464 2.981 40 0 EFABLO O=c1c2ccsc2nc2n1CC[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019292990 285213644 /nfs/dbraw/zinc/21/36/44/285213644.db2.gz ZLELLBTVXANBJU-UHFFFAOYSA-N 1 2 347.390 2.795 40 0 EFABLO O=c1c2ccsc2nc2n1CC[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019292990 285213649 /nfs/dbraw/zinc/21/36/49/285213649.db2.gz ZLELLBTVXANBJU-UHFFFAOYSA-N 1 2 347.390 2.795 40 0 EFABLO O=c1c2ccccc2nc2n1CC[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019375971 285211860 /nfs/dbraw/zinc/21/18/60/285211860.db2.gz LPIMYRMLMBLLRK-UHFFFAOYSA-N 1 2 341.361 2.733 40 0 EFABLO O=c1c2ccccc2nc2n1CC[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019375971 285211862 /nfs/dbraw/zinc/21/18/62/285211862.db2.gz LPIMYRMLMBLLRK-UHFFFAOYSA-N 1 2 341.361 2.733 40 0 EFABLO COC[C@@H]1CN(C(=O)c2ccsc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096068667 285297140 /nfs/dbraw/zinc/29/71/40/285297140.db2.gz NEOGODROZWOZJA-AWEZNQCLSA-N 1 2 331.441 2.741 40 0 EFABLO Cc1cc(NC(=O)c2ncoc2C(C)C)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000095427944 291965706 /nfs/dbraw/zinc/96/57/06/291965706.db2.gz OXDUOZNRCSCHGW-UHFFFAOYSA-N 1 2 340.387 2.951 40 0 EFABLO O=C(C[NH+]1CCN(c2ccc(F)cc2)CC1)Nc1cc(F)cc(F)c1 ZINC000057291860 132199387 /nfs/dbraw/zinc/19/93/87/132199387.db2.gz CHEMBJPKMXADQL-UHFFFAOYSA-N 1 2 349.356 2.865 40 0 EFABLO C[C@H](CNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)Cn1cc[nH+]c1 ZINC000096487068 544559479 /nfs/dbraw/zinc/55/94/79/544559479.db2.gz UYNGTZHEFXGBLR-QMTHXVAHSA-N 1 2 342.226 2.676 40 0 EFABLO CCOc1ccccc1[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000280967219 273386457 /nfs/dbraw/zinc/38/64/57/273386457.db2.gz SRXCUHWQHJOMII-MAUKXSAKSA-N 1 2 346.471 2.906 40 0 EFABLO CCOc1ccccc1[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000280967219 273386458 /nfs/dbraw/zinc/38/64/58/273386458.db2.gz SRXCUHWQHJOMII-MAUKXSAKSA-N 1 2 346.471 2.906 40 0 EFABLO CC(C)c1[nH+]c2c(n1C)CCN([C@@H]1CCc3ccccc3NC1=O)C2 ZINC000192012198 278075746 /nfs/dbraw/zinc/07/57/46/278075746.db2.gz YSFPHKIEPMZCCA-GOSISDBHSA-N 1 2 338.455 2.855 40 0 EFABLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@H]1CSCCS1 ZINC000242191334 288740880 /nfs/dbraw/zinc/74/08/80/288740880.db2.gz XESVLSDXBCTGDD-CHWSQXEVSA-N 1 2 325.503 2.805 40 0 EFABLO Cc1nc(NCc2cncc3c2CCN(C(=O)c2ccoc2)C3)cc[nH+]1 ZINC000096067466 293637892 /nfs/dbraw/zinc/63/78/92/293637892.db2.gz GCXGLEBKPPZPDG-UHFFFAOYSA-N 1 2 349.394 2.584 40 0 EFABLO Cc1cnn([C@H]2CCN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)C2)c1 ZINC000290672996 294153117 /nfs/dbraw/zinc/15/31/17/294153117.db2.gz IERMZXFJUXRAMJ-HOCLYGCPSA-N 1 2 326.448 2.669 40 0 EFABLO Cc1cnn([C@H]2CCN(c3cc(N4CCC[C@H](C)C4)nc[nH+]3)C2)c1 ZINC000290672996 294153120 /nfs/dbraw/zinc/15/31/20/294153120.db2.gz IERMZXFJUXRAMJ-HOCLYGCPSA-N 1 2 326.448 2.669 40 0 EFABLO Cn1cc(Br)cc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000096430792 294199710 /nfs/dbraw/zinc/19/97/10/294199710.db2.gz CZUNBJVFFJCQPT-LLVKDONJSA-N 1 2 337.221 2.878 40 0 EFABLO COc1ccccc1[C@@H]1C[N@H+](CCC(F)(F)F)CCN1C(C)=O ZINC000257256315 295392076 /nfs/dbraw/zinc/39/20/76/295392076.db2.gz KKXXQCIVQCXIDP-AWEZNQCLSA-N 1 2 330.350 2.853 40 0 EFABLO COc1ccccc1[C@@H]1C[N@@H+](CCC(F)(F)F)CCN1C(C)=O ZINC000257256315 295392082 /nfs/dbraw/zinc/39/20/82/295392082.db2.gz KKXXQCIVQCXIDP-AWEZNQCLSA-N 1 2 330.350 2.853 40 0 EFABLO OC[C@@H]1CCCN(c2cc(N[C@H]3CCCC(F)(F)C3)[nH+]cn2)C1 ZINC000330172168 311308159 /nfs/dbraw/zinc/30/81/59/311308159.db2.gz GDIXWYDDDJORFA-OLZOCXBDSA-N 1 2 326.391 2.675 40 0 EFABLO OC[C@@H]1CCCN(c2cc(N[C@H]3CCCC(F)(F)C3)nc[nH+]2)C1 ZINC000330172168 311308160 /nfs/dbraw/zinc/30/81/60/311308160.db2.gz GDIXWYDDDJORFA-OLZOCXBDSA-N 1 2 326.391 2.675 40 0 EFABLO O=C(Nc1cnn(-c2ccccn2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088390416 323213281 /nfs/dbraw/zinc/21/32/81/323213281.db2.gz ATVYNBNDOYNUNO-CQSZACIVSA-N 1 2 337.387 2.750 40 0 EFABLO O=C(C[C@H]1COCCN1Cc1c[nH+]c2ccccn12)c1cccs1 ZINC000154433298 323220464 /nfs/dbraw/zinc/22/04/64/323220464.db2.gz JNZDSSAAEBSPSB-AWEZNQCLSA-N 1 2 341.436 2.870 40 0 EFABLO Cn1nnc(C[NH2+][C@H](Cc2ccccc2Cl)c2ccccc2)n1 ZINC000194290482 323504954 /nfs/dbraw/zinc/50/49/54/323504954.db2.gz QJMPXLAOQZULMJ-MRXNPFEDSA-N 1 2 327.819 2.937 40 0 EFABLO COc1ccc([C@@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)cc1 ZINC000095533693 473222105 /nfs/dbraw/zinc/22/21/05/473222105.db2.gz NNLPOPAESZEZMW-MRXNPFEDSA-N 1 2 328.347 2.580 40 0 EFABLO COc1cccc(NCc2n[nH]c([C@@H]([NH3+])c3ccc(F)cc3)n2)c1 ZINC000095533287 473222243 /nfs/dbraw/zinc/22/22/43/473222243.db2.gz OSIYINNMODCWSO-INIZCTEOSA-N 1 2 327.363 2.613 40 0 EFABLO COc1cccc(NCc2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)c1 ZINC000095533287 473222247 /nfs/dbraw/zinc/22/22/47/473222247.db2.gz OSIYINNMODCWSO-INIZCTEOSA-N 1 2 327.363 2.613 40 0 EFABLO COc1cccc(NCc2nc([C@@H]([NH3+])c3ccc(F)cc3)n[nH]2)c1 ZINC000095533287 473222249 /nfs/dbraw/zinc/22/22/49/473222249.db2.gz OSIYINNMODCWSO-INIZCTEOSA-N 1 2 327.363 2.613 40 0 EFABLO CC(C)(C)OC(=O)N1CC[C@@H]2OCC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC000095698577 473223537 /nfs/dbraw/zinc/22/35/37/473223537.db2.gz XKKJCBQUOXEBOD-IRXDYDNUSA-N 1 2 332.444 2.897 40 0 EFABLO CC(C)(C)OC(=O)N1CC[C@@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000095698577 473223539 /nfs/dbraw/zinc/22/35/39/473223539.db2.gz XKKJCBQUOXEBOD-IRXDYDNUSA-N 1 2 332.444 2.897 40 0 EFABLO CCOc1cc([C@@H]([NH3+])c2nnc(-c3ccc(O)cc3)[nH]2)ccc1OC ZINC000095534387 473224189 /nfs/dbraw/zinc/22/41/89/473224189.db2.gz NHLAVLNXYDINDN-MRXNPFEDSA-N 1 2 340.383 2.633 40 0 EFABLO CCOc1cc([C@@H]([NH3+])c2nc(-c3ccc(O)cc3)n[nH]2)ccc1OC ZINC000095534387 473224194 /nfs/dbraw/zinc/22/41/94/473224194.db2.gz NHLAVLNXYDINDN-MRXNPFEDSA-N 1 2 340.383 2.633 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042235 473262689 /nfs/dbraw/zinc/26/26/89/473262689.db2.gz LTXZXZYAWRCLSL-GBESFXJTSA-N 1 2 343.427 2.635 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@@H](OCc3ccccn3)CC[C@@H]21 ZINC000096042235 473262696 /nfs/dbraw/zinc/26/26/96/473262696.db2.gz LTXZXZYAWRCLSL-GBESFXJTSA-N 1 2 343.427 2.635 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)n1 ZINC000096041724 473262874 /nfs/dbraw/zinc/26/28/74/473262874.db2.gz KVMFKJQIRLJIJL-XUVXKRRUSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)n1 ZINC000096041724 473262883 /nfs/dbraw/zinc/26/28/83/473262883.db2.gz KVMFKJQIRLJIJL-XUVXKRRUSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1csc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096042480 473263233 /nfs/dbraw/zinc/26/32/33/473263233.db2.gz NWKTVZSTXJEYMJ-NUJGCVRESA-N 1 2 345.468 2.795 40 0 EFABLO Cc1csc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096042480 473263242 /nfs/dbraw/zinc/26/32/42/473263242.db2.gz NWKTVZSTXJEYMJ-NUJGCVRESA-N 1 2 345.468 2.795 40 0 EFABLO COc1ccccc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC000096042136 473263797 /nfs/dbraw/zinc/26/37/97/473263797.db2.gz ATGMWZLAUNPTSX-YSIASYRMSA-N 1 2 340.423 2.901 40 0 EFABLO COc1ccccc1C[N@H+]1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC000096042136 473263803 /nfs/dbraw/zinc/26/38/03/473263803.db2.gz ATGMWZLAUNPTSX-YSIASYRMSA-N 1 2 340.423 2.901 40 0 EFABLO Cc1csc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000096042554 473264661 /nfs/dbraw/zinc/26/46/61/473264661.db2.gz GRUYIESRLCITEM-NUJGCVRESA-N 1 2 345.468 2.795 40 0 EFABLO Cc1csc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000096042554 473264668 /nfs/dbraw/zinc/26/46/68/473264668.db2.gz GRUYIESRLCITEM-NUJGCVRESA-N 1 2 345.468 2.795 40 0 EFABLO COC[C@H]1C[N@H+](Cc2ccoc2)Cc2cn(CC3CCOCC3)nc21 ZINC000096044703 473264982 /nfs/dbraw/zinc/26/49/82/473264982.db2.gz FZBQMPUISYUDIX-GOSISDBHSA-N 1 2 345.443 2.649 40 0 EFABLO COC[C@H]1C[N@@H+](Cc2ccoc2)Cc2cn(CC3CCOCC3)nc21 ZINC000096044703 473264988 /nfs/dbraw/zinc/26/49/88/473264988.db2.gz FZBQMPUISYUDIX-GOSISDBHSA-N 1 2 345.443 2.649 40 0 EFABLO CCn1cc2c(n1)C[N@@H+](Cc1ccccn1)C[C@@H]2COCC1CC1 ZINC000096045228 473266569 /nfs/dbraw/zinc/26/65/69/473266569.db2.gz BFJCSCWNGWHWRJ-MRXNPFEDSA-N 1 2 326.444 2.824 40 0 EFABLO CCn1cc2c(n1)C[N@H+](Cc1ccccn1)C[C@@H]2COCC1CC1 ZINC000096045228 473266577 /nfs/dbraw/zinc/26/65/77/473266577.db2.gz BFJCSCWNGWHWRJ-MRXNPFEDSA-N 1 2 326.444 2.824 40 0 EFABLO c1[nH+]c2c(n1CC1CC1)[C@@H](COCC1CC1)CN(c1ccncn1)C2 ZINC000096045157 473267004 /nfs/dbraw/zinc/26/70/04/473267004.db2.gz PFMMOUDLILJUPH-MRXNPFEDSA-N 1 2 339.443 2.614 40 0 EFABLO CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)O2)CC1 ZINC000096057538 473280530 /nfs/dbraw/zinc/28/05/30/473280530.db2.gz ZOZVQRZSJMYXTF-BZUAXINKSA-N 1 2 349.500 2.524 40 0 EFABLO CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)O2)CC1 ZINC000096057538 473280534 /nfs/dbraw/zinc/28/05/34/473280534.db2.gz ZOZVQRZSJMYXTF-BZUAXINKSA-N 1 2 349.500 2.524 40 0 EFABLO COc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC3CC3)C2)cc1 ZINC000096060241 473284328 /nfs/dbraw/zinc/28/43/28/473284328.db2.gz QVKOXGLITFPRDS-QGZVFWFLSA-N 1 2 341.455 2.955 40 0 EFABLO COc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC3CC3)C2)cc1 ZINC000096060241 473284333 /nfs/dbraw/zinc/28/43/33/473284333.db2.gz QVKOXGLITFPRDS-QGZVFWFLSA-N 1 2 341.455 2.955 40 0 EFABLO COc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC3CC3)C2)cc1 ZINC000096060240 473284492 /nfs/dbraw/zinc/28/44/92/473284492.db2.gz QVKOXGLITFPRDS-KRWDZBQOSA-N 1 2 341.455 2.955 40 0 EFABLO COc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC3CC3)C2)cc1 ZINC000096060240 473284498 /nfs/dbraw/zinc/28/44/98/473284498.db2.gz QVKOXGLITFPRDS-KRWDZBQOSA-N 1 2 341.455 2.955 40 0 EFABLO CCOC[C@@H]1C[N@H+](Cc2ccncc2)Cc2nn(CC3CC3)cc21 ZINC000096060488 473285517 /nfs/dbraw/zinc/28/55/17/473285517.db2.gz JZVNWCKMIQBYHT-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2nn(CC3CC3)cc21 ZINC000096060488 473285523 /nfs/dbraw/zinc/28/55/23/473285523.db2.gz JZVNWCKMIQBYHT-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO COc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC000096065800 473286857 /nfs/dbraw/zinc/28/68/57/473286857.db2.gz LUTAQSRCZFEBKT-XUVXKRRUSA-N 1 2 340.423 2.901 40 0 EFABLO COc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4cccnc4)CC[C@@H]32)cc1 ZINC000096065800 473286864 /nfs/dbraw/zinc/28/68/64/473286864.db2.gz LUTAQSRCZFEBKT-XUVXKRRUSA-N 1 2 340.423 2.901 40 0 EFABLO Cc1nc(C[N@@H+]2CC[C@@]23CCN(C(=O)Cc2ccsc2)C3)cs1 ZINC000096076043 473291197 /nfs/dbraw/zinc/29/11/97/473291197.db2.gz WBVJYGCQMHYVHJ-QGZVFWFLSA-N 1 2 347.509 2.933 40 0 EFABLO Cc1nc(C[N@H+]2CC[C@@]23CCN(C(=O)Cc2ccsc2)C3)cs1 ZINC000096076043 473291202 /nfs/dbraw/zinc/29/12/02/473291202.db2.gz WBVJYGCQMHYVHJ-QGZVFWFLSA-N 1 2 347.509 2.933 40 0 EFABLO c1csc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107350 473299515 /nfs/dbraw/zinc/29/95/15/473299515.db2.gz GFPKIZDWMHOOBQ-PBHICJAKSA-N 1 2 331.441 2.741 40 0 EFABLO c1csc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)n1 ZINC000096107350 473299519 /nfs/dbraw/zinc/29/95/19/473299519.db2.gz GFPKIZDWMHOOBQ-PBHICJAKSA-N 1 2 331.441 2.741 40 0 EFABLO Cc1cc(C[N@@H+]2CCC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)no1 ZINC000096107513 473300227 /nfs/dbraw/zinc/30/02/27/473300227.db2.gz AJVMKCYRVGDNSN-OALUTQOASA-N 1 2 343.427 2.718 40 0 EFABLO Cc1cc(C[N@H+]2CCC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)no1 ZINC000096107513 473300230 /nfs/dbraw/zinc/30/02/30/473300230.db2.gz AJVMKCYRVGDNSN-OALUTQOASA-N 1 2 343.427 2.718 40 0 EFABLO CCCN(CC)C(=O)c1nc2c(n1C)CC[N@H+](Cc1ccccc1)C2 ZINC000096147100 473312854 /nfs/dbraw/zinc/31/28/54/473312854.db2.gz DUQYISHTZIUOHQ-UHFFFAOYSA-N 1 2 340.471 2.851 40 0 EFABLO CCCN(CC)C(=O)c1nc2c(n1C)CC[N@@H+](Cc1ccccc1)C2 ZINC000096147100 473312862 /nfs/dbraw/zinc/31/28/62/473312862.db2.gz DUQYISHTZIUOHQ-UHFFFAOYSA-N 1 2 340.471 2.851 40 0 EFABLO Cn1cnc2c1[C@H](C(=O)NC1CCCCCC1)[N@H+](CC1CC1)CC2 ZINC000096147178 473315210 /nfs/dbraw/zinc/31/52/10/473315210.db2.gz XNFIYJIBRFRZJU-GOSISDBHSA-N 1 2 330.476 2.568 40 0 EFABLO Cn1cnc2c1[C@H](C(=O)NC1CCCCCC1)[N@@H+](CC1CC1)CC2 ZINC000096147178 473315213 /nfs/dbraw/zinc/31/52/13/473315213.db2.gz XNFIYJIBRFRZJU-GOSISDBHSA-N 1 2 330.476 2.568 40 0 EFABLO O=C(Cc1ccsc1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187921 473329424 /nfs/dbraw/zinc/32/94/24/473329424.db2.gz PWMRRLQGIWIFTR-MRXNPFEDSA-N 1 2 345.468 2.572 40 0 EFABLO Cc1nc(C[N@H+]2Cc3ccnn3C[C@@H](COCC3CC3)C2)cs1 ZINC000096189099 473330307 /nfs/dbraw/zinc/33/03/07/473330307.db2.gz LVRXFZUJLJDYPN-HNNXBMFYSA-N 1 2 332.473 2.707 40 0 EFABLO Cc1nc(C[N@@H+]2Cc3ccnn3C[C@@H](COCC3CC3)C2)cs1 ZINC000096189099 473330315 /nfs/dbraw/zinc/33/03/15/473330315.db2.gz LVRXFZUJLJDYPN-HNNXBMFYSA-N 1 2 332.473 2.707 40 0 EFABLO c1cc2n(n1)C[C@@H](COCc1ccccn1)CN(c1cccc[nH+]1)C2 ZINC000096189180 473330529 /nfs/dbraw/zinc/33/05/29/473330529.db2.gz IMMUGSDHTLAGSK-INIZCTEOSA-N 1 2 335.411 2.526 40 0 EFABLO O=C(NCc1cncc2c1CCN(c1cccc[nH+]1)C2)c1ccco1 ZINC000096189507 473330923 /nfs/dbraw/zinc/33/09/23/473330923.db2.gz CAWBXWVFXRFWPB-UHFFFAOYSA-N 1 2 334.379 2.562 40 0 EFABLO COc1ccc(C[N@@H+]2CCc3cnn(C)c3[C@@H]2COCC2CC2)cc1 ZINC000096197772 473334373 /nfs/dbraw/zinc/33/43/73/473334373.db2.gz VMAZVIJJNYYQEX-IBGZPJMESA-N 1 2 341.455 2.955 40 0 EFABLO COc1ccc(C[N@H+]2CCc3cnn(C)c3[C@@H]2COCC2CC2)cc1 ZINC000096197772 473334378 /nfs/dbraw/zinc/33/43/78/473334378.db2.gz VMAZVIJJNYYQEX-IBGZPJMESA-N 1 2 341.455 2.955 40 0 EFABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)CCc2ccccc2C)C1 ZINC000096208023 473343420 /nfs/dbraw/zinc/34/34/20/473343420.db2.gz IEPJXLPUQCINEX-QGZVFWFLSA-N 1 2 341.455 2.819 40 0 EFABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)CCc2ccccc2Cl)C1 ZINC000096209133 473344491 /nfs/dbraw/zinc/34/44/91/473344491.db2.gz JLBAGJGNCVSQDY-CQSZACIVSA-N 1 2 347.846 2.774 40 0 EFABLO O=C(Cc1ccccn1)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216717 473349121 /nfs/dbraw/zinc/34/91/21/473349121.db2.gz FKNDXNKTTPMTPY-FQEVSTJZSA-N 1 2 336.439 2.538 40 0 EFABLO O=C(c1cscn1)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216690 473349919 /nfs/dbraw/zinc/34/99/19/473349919.db2.gz JCQUWDJDHMMFEB-QGZVFWFLSA-N 1 2 328.441 2.671 40 0 EFABLO O=C(c1ccsc1)N1CC[C@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219081 473352037 /nfs/dbraw/zinc/35/20/37/473352037.db2.gz HQKFHBUBJDVWAV-PBHICJAKSA-N 1 2 329.425 2.629 40 0 EFABLO O=C(c1ccsc1)N1CC[C@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219083 473352228 /nfs/dbraw/zinc/35/22/28/473352228.db2.gz HQKFHBUBJDVWAV-YOEHRIQHSA-N 1 2 329.425 2.629 40 0 EFABLO Fc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4nncs4)C3)C2)cc1 ZINC000096226643 473356845 /nfs/dbraw/zinc/35/68/45/473356845.db2.gz OYDMIZOVYQOPOC-KRWDZBQOSA-N 1 2 348.447 2.549 40 0 EFABLO Fc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4nncs4)C3)C2)cc1 ZINC000096226643 473356853 /nfs/dbraw/zinc/35/68/53/473356853.db2.gz OYDMIZOVYQOPOC-KRWDZBQOSA-N 1 2 348.447 2.549 40 0 EFABLO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096252956 473364820 /nfs/dbraw/zinc/36/48/20/473364820.db2.gz BAPBIEOLFLCHPH-IXDOHACOSA-N 1 2 336.863 2.702 40 0 EFABLO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]1O2 ZINC000096252956 473364828 /nfs/dbraw/zinc/36/48/28/473364828.db2.gz BAPBIEOLFLCHPH-IXDOHACOSA-N 1 2 336.863 2.702 40 0 EFABLO Cc1[nH+]c(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccn23)cn1C ZINC000096266807 473369777 /nfs/dbraw/zinc/36/97/77/473369777.db2.gz CCQMNSKJJHTRDT-CQSZACIVSA-N 1 2 338.411 2.557 40 0 EFABLO Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000096406628 473383713 /nfs/dbraw/zinc/38/37/13/473383713.db2.gz WGKQFKRTXFRLRJ-HNNXBMFYSA-N 1 2 330.457 2.755 40 0 EFABLO Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000096406628 473383720 /nfs/dbraw/zinc/38/37/20/473383720.db2.gz WGKQFKRTXFRLRJ-HNNXBMFYSA-N 1 2 330.457 2.755 40 0 EFABLO CCOc1cc(C(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000096409865 473388264 /nfs/dbraw/zinc/38/82/64/473388264.db2.gz ASEUHWCHIZHRCJ-UHFFFAOYSA-N 1 2 340.427 2.616 40 0 EFABLO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1noc2c1CCCC2 ZINC000096412912 473391756 /nfs/dbraw/zinc/39/17/56/473391756.db2.gz NEHFUFHJLAYURV-LBPRGKRZSA-N 1 2 326.400 2.744 40 0 EFABLO O=C(Nc1nccs1)[C@H]1CCC[N@H+](Cc2nnc(C3CCC3)o2)C1 ZINC000096410312 473389646 /nfs/dbraw/zinc/38/96/46/473389646.db2.gz XORDSNCHRQTBCU-LBPRGKRZSA-N 1 2 347.444 2.644 40 0 EFABLO O=C(Nc1nccs1)[C@H]1CCC[N@@H+](Cc2nnc(C3CCC3)o2)C1 ZINC000096410312 473389651 /nfs/dbraw/zinc/38/96/51/473389651.db2.gz XORDSNCHRQTBCU-LBPRGKRZSA-N 1 2 347.444 2.644 40 0 EFABLO Cc1cc(C)n(-c2cc(N3CCOCC3)[nH+]c(-c3ccccc3)n2)n1 ZINC000000353684 471350332 /nfs/dbraw/zinc/35/03/32/471350332.db2.gz JGMQQBRIBRFJKE-UHFFFAOYSA-N 1 2 335.411 2.783 40 0 EFABLO C[NH+](C)c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 ZINC000012088257 471764011 /nfs/dbraw/zinc/76/40/11/471764011.db2.gz RRGDVAJNOAXHHK-UHFFFAOYSA-N 1 2 337.379 2.935 40 0 EFABLO Cc1ccsc1C[N@@H+]1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000012120679 471764614 /nfs/dbraw/zinc/76/46/14/471764614.db2.gz PSGNIMWEYXCITH-UHFFFAOYSA-N 1 2 338.436 2.760 40 0 EFABLO Cc1ccsc1C[N@H+]1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000012120679 471764616 /nfs/dbraw/zinc/76/46/16/471764616.db2.gz PSGNIMWEYXCITH-UHFFFAOYSA-N 1 2 338.436 2.760 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccccn1)c1ccc(F)c(F)c1 ZINC000012114995 471765399 /nfs/dbraw/zinc/76/53/99/471765399.db2.gz ASCCNUDUFGVUNH-HNNXBMFYSA-N 1 2 328.322 2.613 40 0 EFABLO C=COCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2CC)CC1 ZINC000012116409 471765459 /nfs/dbraw/zinc/76/54/59/471765459.db2.gz YSRGXBZTDGPMTA-UHFFFAOYSA-N 1 2 342.443 2.549 40 0 EFABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4ccncc4)C3)[nH]n2c1=O ZINC000012222242 471768625 /nfs/dbraw/zinc/76/86/25/471768625.db2.gz UTUWQQUPKZCSJG-HNNXBMFYSA-N 1 2 337.427 2.690 40 0 EFABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4ccncc4)C3)[nH]n2c1=O ZINC000012222242 471768630 /nfs/dbraw/zinc/76/86/30/471768630.db2.gz UTUWQQUPKZCSJG-HNNXBMFYSA-N 1 2 337.427 2.690 40 0 EFABLO O=C(c1ncoc1-c1cccs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000012338322 471771940 /nfs/dbraw/zinc/77/19/40/471771940.db2.gz GXFOLVHUDMRORM-UHFFFAOYSA-N 1 2 340.408 2.761 40 0 EFABLO Cc1cccc(OCCCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000012769572 471795386 /nfs/dbraw/zinc/79/53/86/471795386.db2.gz XLOFSHVEXILEEV-UHFFFAOYSA-N 1 2 336.395 2.775 40 0 EFABLO O=C(NCCCn1cc[nH+]c1)Nc1c[nH]c2cc(Cl)ccc2c1=O ZINC000013565966 471833928 /nfs/dbraw/zinc/83/39/28/471833928.db2.gz BITGLAQZHVDRRC-UHFFFAOYSA-N 1 2 345.790 2.590 40 0 EFABLO C[C@@H](C(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)n1cc[nH+]c1 ZINC000019078242 471976541 /nfs/dbraw/zinc/97/65/41/471976541.db2.gz ZUVVMHXFLFXVGA-GJZGRUSLSA-N 1 2 331.391 2.901 40 0 EFABLO Cc1nc2c(c(N3CCSCC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286238 471978458 /nfs/dbraw/zinc/97/84/58/471978458.db2.gz ALNXEUPHAVNAGR-UHFFFAOYSA-N 1 2 340.496 2.897 40 0 EFABLO Cc1nc2c(c(N3CCSCC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286238 471978462 /nfs/dbraw/zinc/97/84/62/471978462.db2.gz ALNXEUPHAVNAGR-UHFFFAOYSA-N 1 2 340.496 2.897 40 0 EFABLO COc1cc2c(cc1OC)C(CC[NH+]1CCOCC1)=NC(C)(C)C2 ZINC000019205386 471978781 /nfs/dbraw/zinc/97/87/81/471978781.db2.gz JDKFXLGTBGIFTE-UHFFFAOYSA-N 1 2 332.444 2.550 40 0 EFABLO Cc1cc(N)nc(S[C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000024841012 472069354 /nfs/dbraw/zinc/06/93/54/472069354.db2.gz UZBPCQHYHSOFOX-HDPALTEOSA-N 1 2 346.500 2.933 40 0 EFABLO CC(C)(CNC(=O)c1ccc(C(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000025763989 472110841 /nfs/dbraw/zinc/11/08/41/472110841.db2.gz GYOIIPVAAQNOLC-UHFFFAOYSA-N 1 2 330.350 2.546 40 0 EFABLO CCC(C)(C)NC(=O)C[N@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000027604500 472185926 /nfs/dbraw/zinc/18/59/26/472185926.db2.gz AHLXKVCSNVWKCS-UHFFFAOYSA-N 1 2 334.460 2.973 40 0 EFABLO CCC(C)(C)NC(=O)C[N@@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000027604500 472185928 /nfs/dbraw/zinc/18/59/28/472185928.db2.gz AHLXKVCSNVWKCS-UHFFFAOYSA-N 1 2 334.460 2.973 40 0 EFABLO CC[NH+]1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3nc2C)CC1 ZINC000028191137 472216062 /nfs/dbraw/zinc/21/60/62/472216062.db2.gz VCDRROMWQCEHBO-CQSZACIVSA-N 1 2 344.484 2.583 40 0 EFABLO COc1ccc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000044849780 472343728 /nfs/dbraw/zinc/34/37/28/472343728.db2.gz ILJDKKFIBXDZLY-UHFFFAOYSA-N 1 2 337.379 2.576 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@](C)(CO)C1CCCCC1 ZINC000088588434 472375184 /nfs/dbraw/zinc/37/51/84/472375184.db2.gz USKKGPQAXTXTTI-GOSISDBHSA-N 1 2 336.480 2.670 40 0 EFABLO CCN(Cc1ccncc1)c1[nH+]cnc2c1cnn2-c1ccccn1 ZINC000057279951 472409376 /nfs/dbraw/zinc/40/93/76/472409376.db2.gz CFKVMEGGGSOIDH-UHFFFAOYSA-N 1 2 331.383 2.632 40 0 EFABLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000032501797 472441087 /nfs/dbraw/zinc/44/10/87/472441087.db2.gz VGDAZPNKWXTARM-UHFFFAOYSA-N 1 2 346.862 2.648 40 0 EFABLO Cc1cccc(Cl)c1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000097095196 472443624 /nfs/dbraw/zinc/44/36/24/472443624.db2.gz AJXFLWGRVVYTCA-OLZOCXBDSA-N 1 2 325.840 2.879 40 0 EFABLO Cc1ccccc1[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000097096474 472443898 /nfs/dbraw/zinc/44/38/98/472443898.db2.gz FJUFJUCNBRXUMF-QGZVFWFLSA-N 1 2 338.455 2.978 40 0 EFABLO CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc(F)cc(F)c1 ZINC000057756638 472471479 /nfs/dbraw/zinc/47/14/79/472471479.db2.gz TYPIRODVGXEHCV-UHFFFAOYSA-N 1 2 333.260 2.996 40 0 EFABLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCC[C@@H]1C1CCC1 ZINC000097212281 472481248 /nfs/dbraw/zinc/48/12/48/472481248.db2.gz XFLIBKIGCQRNIK-GFCCVEGCSA-N 1 2 330.354 2.920 40 0 EFABLO Cc1ccc2[nH]c(-c3ccc(C(=O)N4CC[NH+](C)CC4)cc3)nc2c1 ZINC000059052463 472622377 /nfs/dbraw/zinc/62/23/77/472622377.db2.gz KJHZGKXRPGADJW-UHFFFAOYSA-N 1 2 334.423 2.926 40 0 EFABLO Cc1ccc2nc(-c3ccc(C(=O)N4CC[NH+](C)CC4)cc3)[nH]c2c1 ZINC000059052463 472622383 /nfs/dbraw/zinc/62/23/83/472622383.db2.gz KJHZGKXRPGADJW-UHFFFAOYSA-N 1 2 334.423 2.926 40 0 EFABLO O=C(c1ccccc1)N1CCC[C@@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216169 472633717 /nfs/dbraw/zinc/63/37/17/472633717.db2.gz ISALOIVCBBLZNX-GOSISDBHSA-N 1 2 337.423 2.896 40 0 EFABLO Cc1ccc(Cn2cccc/c2=N\C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000104327632 472667243 /nfs/dbraw/zinc/66/72/43/472667243.db2.gz NIPAZQFODUSUBX-FKNXBIFSSA-N 1 2 346.434 2.731 40 0 EFABLO O=C(c1cncc(Br)c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000120495121 472699051 /nfs/dbraw/zinc/69/90/51/472699051.db2.gz VWDTVVXZCDULNG-CQSZACIVSA-N 1 2 348.200 2.533 40 0 EFABLO O=C([C@H](c1ccccc1)n1cccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000062021910 472727470 /nfs/dbraw/zinc/72/74/70/472727470.db2.gz WDIUAXGOMZMZIY-FQEVSTJZSA-N 1 2 346.434 2.821 40 0 EFABLO C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000047569673 472732479 /nfs/dbraw/zinc/73/24/79/472732479.db2.gz GOEYPZCIMMXAFT-BZUAXINKSA-N 1 2 347.459 2.548 40 0 EFABLO Cc1nc(C2([NH2+][C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)no1 ZINC000156864210 472761419 /nfs/dbraw/zinc/76/14/19/472761419.db2.gz QIIPPUIQLWVIBO-CYBMUJFWSA-N 1 2 336.436 2.746 40 0 EFABLO C[C@H](c1ccc(Br)cc1)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000079028606 472809196 /nfs/dbraw/zinc/80/91/96/472809196.db2.gz VBZGRZVHFKLBNA-LLVKDONJSA-N 1 2 326.238 2.597 40 0 EFABLO C[C@H](c1ccc(Br)cc1)[N@H+]1CCCN(C(N)=O)CC1 ZINC000079028606 472809202 /nfs/dbraw/zinc/80/92/02/472809202.db2.gz VBZGRZVHFKLBNA-LLVKDONJSA-N 1 2 326.238 2.597 40 0 EFABLO CCOC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000079099873 472819720 /nfs/dbraw/zinc/81/97/20/472819720.db2.gz CRXHSXSIBQCFOW-WFASDCNBSA-N 1 2 334.243 2.764 40 0 EFABLO CCOC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000079099873 472819728 /nfs/dbraw/zinc/81/97/28/472819728.db2.gz CRXHSXSIBQCFOW-WFASDCNBSA-N 1 2 334.243 2.764 40 0 EFABLO C[C@H]1C[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)O1 ZINC000048324195 472857084 /nfs/dbraw/zinc/85/70/84/472857084.db2.gz BNZXNVFPLKSHSH-SMDDNHRTSA-N 1 2 328.334 2.531 40 0 EFABLO C[N@H+](CCS(=O)(=O)c1cccc(Br)c1)C1CCC1 ZINC000079464949 472870208 /nfs/dbraw/zinc/87/02/08/472870208.db2.gz IXKBFTCCTFBIAB-UHFFFAOYSA-N 1 2 332.263 2.707 40 0 EFABLO C[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)C1CCC1 ZINC000079464949 472870217 /nfs/dbraw/zinc/87/02/17/472870217.db2.gz IXKBFTCCTFBIAB-UHFFFAOYSA-N 1 2 332.263 2.707 40 0 EFABLO O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)NCC(F)(F)F ZINC000048875281 472915944 /nfs/dbraw/zinc/91/59/44/472915944.db2.gz NOWYMZBTLPDTJH-UHFFFAOYSA-N 1 2 330.354 2.824 40 0 EFABLO O=C(NCCn1cc[nH+]c1)Nc1ccc2oc(C(F)(F)F)nc2c1 ZINC000106944682 472917847 /nfs/dbraw/zinc/91/78/47/472917847.db2.gz XBXNWVYSWIIHCU-UHFFFAOYSA-N 1 2 339.277 2.865 40 0 EFABLO C[N@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(Cl)s1 ZINC000052710162 473140393 /nfs/dbraw/zinc/14/03/93/473140393.db2.gz POARMJFQNOZKQG-UHFFFAOYSA-N 1 2 343.880 2.992 40 0 EFABLO C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)Cc1ccc(Cl)s1 ZINC000052710162 473140399 /nfs/dbraw/zinc/14/03/99/473140399.db2.gz POARMJFQNOZKQG-UHFFFAOYSA-N 1 2 343.880 2.992 40 0 EFABLO O=C(C[N@H+]1CCC[C@H](O)C1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000066863103 473164819 /nfs/dbraw/zinc/16/48/19/473164819.db2.gz FTKGHJJUQFAWHN-YJBOKZPZSA-N 1 2 348.443 2.550 40 0 EFABLO O=C(C[N@@H+]1CCC[C@H](O)C1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000066863103 473164826 /nfs/dbraw/zinc/16/48/26/473164826.db2.gz FTKGHJJUQFAWHN-YJBOKZPZSA-N 1 2 348.443 2.550 40 0 EFABLO c1cn(-c2cc(N(Cc3ccccc3)C[C@H]3CCCO3)ncn2)c[nH+]1 ZINC000095430919 473203727 /nfs/dbraw/zinc/20/37/27/473203727.db2.gz PZFQLZIXUSLVJV-QGZVFWFLSA-N 1 2 335.411 2.848 40 0 EFABLO CN(C)c1[nH+]cccc1CNc1ccc(C(=O)Nc2ccccc2)nn1 ZINC000096413677 473393187 /nfs/dbraw/zinc/39/31/87/473393187.db2.gz YMTJDCSTFNYZDN-UHFFFAOYSA-N 1 2 348.410 2.802 40 0 EFABLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)/C=C/c1cccnc1 ZINC000096413890 473393252 /nfs/dbraw/zinc/39/32/52/473393252.db2.gz XDFDWNIHPVZOBT-VOTSOKGWSA-N 1 2 337.423 2.874 40 0 EFABLO COc1ccc(CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)cn1 ZINC000096413398 473393463 /nfs/dbraw/zinc/39/34/63/473393463.db2.gz JOPPUUDCWBWTSZ-UHFFFAOYSA-N 1 2 337.383 2.812 40 0 EFABLO O=C(C[N@H+](Cc1ccco1)Cc1ccc(O)cc1)NCC1CCC1 ZINC000096414861 473393737 /nfs/dbraw/zinc/39/37/37/473393737.db2.gz XSJLAMANEPWFQK-UHFFFAOYSA-N 1 2 328.412 2.904 40 0 EFABLO O=C(C[N@@H+](Cc1ccco1)Cc1ccc(O)cc1)NCC1CCC1 ZINC000096414861 473393744 /nfs/dbraw/zinc/39/37/44/473393744.db2.gz XSJLAMANEPWFQK-UHFFFAOYSA-N 1 2 328.412 2.904 40 0 EFABLO Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000096420773 473399500 /nfs/dbraw/zinc/39/95/00/473399500.db2.gz MXMKDAJEJWQMTE-RYUDHWBXSA-N 1 2 339.317 2.739 40 0 EFABLO O=C(CCCn1cc[nH+]c1)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000096421710 473400660 /nfs/dbraw/zinc/40/06/60/473400660.db2.gz BXLSJXWZYMMHMK-CQSZACIVSA-N 1 2 342.226 2.820 40 0 EFABLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000096424321 473402181 /nfs/dbraw/zinc/40/21/81/473402181.db2.gz MAZUAMZEKJQILX-RDTXWAMCSA-N 1 2 347.409 2.772 40 0 EFABLO C[C@H](c1cccnc1)N1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000096424309 473402325 /nfs/dbraw/zinc/40/23/25/473402325.db2.gz ATRFTBDBEAFKDS-KUHUBIRLSA-N 1 2 347.409 2.772 40 0 EFABLO COC(=O)c1cccc(C[NH+]2CCN([C@@H](C)c3cccnc3)CC2)c1 ZINC000096424328 473402536 /nfs/dbraw/zinc/40/25/36/473402536.db2.gz CVXFCLGHFAZALU-INIZCTEOSA-N 1 2 339.439 2.747 40 0 EFABLO C[C@@H](c1cccnc1)N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000096424288 473402703 /nfs/dbraw/zinc/40/27/03/473402703.db2.gz HIKQIERZLZHEMK-XDHUDOTRSA-N 1 2 343.496 2.568 40 0 EFABLO COCc1nc(C(=O)NCCNc2ccc3ccccc3[nH+]2)cs1 ZINC000096426919 473405929 /nfs/dbraw/zinc/40/59/29/473405929.db2.gz KRCXKKCTCBLSEN-UHFFFAOYSA-N 1 2 342.424 2.680 40 0 EFABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cccn1C ZINC000096432935 473411265 /nfs/dbraw/zinc/41/12/65/473411265.db2.gz ZITDGPYXCWDGBS-UHFFFAOYSA-N 1 2 326.444 2.799 40 0 EFABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cnn(CC)c1 ZINC000096432933 473411323 /nfs/dbraw/zinc/41/13/23/473411323.db2.gz YCMSKOBJQNBKDE-UHFFFAOYSA-N 1 2 341.459 2.677 40 0 EFABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1CCOCC1 ZINC000096432941 473412030 /nfs/dbraw/zinc/41/20/30/473412030.db2.gz CMBVUPMIDUCLJW-UHFFFAOYSA-N 1 2 331.460 2.573 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cccc([S@](C)=O)c1 ZINC000096434877 473413759 /nfs/dbraw/zinc/41/37/59/473413759.db2.gz UYZSQDSNMAGUAN-HSZRJFAPSA-N 1 2 334.445 2.598 40 0 EFABLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@@]12CCc1ccccc12 ZINC000096436023 473415589 /nfs/dbraw/zinc/41/55/89/473415589.db2.gz RWCXWLLATFBGLK-WIYYLYMNSA-N 1 2 335.451 2.782 40 0 EFABLO O=C(CCc1cscn1)NCCNc1ccc2ccccc2[nH+]1 ZINC000096436742 473417050 /nfs/dbraw/zinc/41/70/50/473417050.db2.gz KSGRWPCZDKJRMO-UHFFFAOYSA-N 1 2 326.425 2.852 40 0 EFABLO Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000096440548 473418412 /nfs/dbraw/zinc/41/84/12/473418412.db2.gz WTYQPMUSJNCENU-CYBMUJFWSA-N 1 2 347.850 2.542 40 0 EFABLO C[C@H]1CC[C@H](CCC(=O)Nc2ccccc2C[NH+]2CCOCC2)O1 ZINC000096441052 473419583 /nfs/dbraw/zinc/41/95/83/473419583.db2.gz OWQNZYHZPMNCEY-DOTOQJQBSA-N 1 2 332.444 2.805 40 0 EFABLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2cc(=O)c(O)co2)CC1 ZINC000096441555 473419819 /nfs/dbraw/zinc/41/98/19/473419819.db2.gz SLQXCVRMGUVXLA-ZDUSSCGKSA-N 1 2 348.830 2.878 40 0 EFABLO CC(C)n1c(N)nnc1SCc1[nH+]ccn1Cc1ccccc1 ZINC000096443625 473421813 /nfs/dbraw/zinc/42/18/13/473421813.db2.gz ACWSTZDMLUIJDL-UHFFFAOYSA-N 1 2 328.445 2.978 40 0 EFABLO O=C(NCCOc1ncccc1Cl)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000096474262 473438801 /nfs/dbraw/zinc/43/88/01/473438801.db2.gz DGRYGFROEQXKPZ-CYBMUJFWSA-N 1 2 349.822 2.774 40 0 EFABLO COC(=O)[C@H](C)SCc1cn2cc(Br)ccc2[nH+]1 ZINC000096486595 473444559 /nfs/dbraw/zinc/44/45/59/473444559.db2.gz KRAHHIDQIFEZOI-QMMMGPOBSA-N 1 2 329.219 2.892 40 0 EFABLO O=S(=O)(Cc1ccccc1)NCc1[nH+]ccn1Cc1ccccc1 ZINC000096492578 473448974 /nfs/dbraw/zinc/44/89/74/473448974.db2.gz MSDFKVADEHNLQD-UHFFFAOYSA-N 1 2 341.436 2.551 40 0 EFABLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCCc3ccc4ccccc4c3)C[C@@H]21 ZINC000096492961 473449623 /nfs/dbraw/zinc/44/96/23/473449623.db2.gz OOWYWTXTMDJCQK-PMACEKPBSA-N 1 2 338.451 2.704 40 0 EFABLO C[N@H+]1CCO[C@H]2CN(C(=O)CCCc3ccc4ccccc4c3)C[C@@H]21 ZINC000096492961 473449627 /nfs/dbraw/zinc/44/96/27/473449627.db2.gz OOWYWTXTMDJCQK-PMACEKPBSA-N 1 2 338.451 2.704 40 0 EFABLO Cc1ccc(NC(=O)c2nnc(C[N@H+](C)C[C@@H]3CCOC3)s2)cc1 ZINC000096500205 473451513 /nfs/dbraw/zinc/45/15/13/473451513.db2.gz KKRUKMCISBQFNI-ZDUSSCGKSA-N 1 2 346.456 2.567 40 0 EFABLO Cc1ccc(NC(=O)c2nnc(C[N@@H+](C)C[C@@H]3CCOC3)s2)cc1 ZINC000096500205 473451517 /nfs/dbraw/zinc/45/15/17/473451517.db2.gz KKRUKMCISBQFNI-ZDUSSCGKSA-N 1 2 346.456 2.567 40 0 EFABLO O=C(c1cccc(-n2cc[nH+]c2)n1)N1CCC[C@H]1COc1ccccc1 ZINC000096501423 473454211 /nfs/dbraw/zinc/45/42/11/473454211.db2.gz JFLLUOHGDLHSNW-INIZCTEOSA-N 1 2 348.406 2.951 40 0 EFABLO Cc1cnc([C@H](C)CNC(=O)NCCc2cn3c([nH+]2)CCCC3)s1 ZINC000096502668 473454732 /nfs/dbraw/zinc/45/47/32/473454732.db2.gz NGEBMYOFENJXNB-GFCCVEGCSA-N 1 2 347.488 2.630 40 0 EFABLO Cc1cnc([C@@H](C)CNC(=O)NCCc2cn3c([nH+]2)CCCC3)s1 ZINC000096502667 473455471 /nfs/dbraw/zinc/45/54/71/473455471.db2.gz NGEBMYOFENJXNB-LBPRGKRZSA-N 1 2 347.488 2.630 40 0 EFABLO Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000151482818 473463207 /nfs/dbraw/zinc/46/32/07/473463207.db2.gz AAXZAMVBOMBSND-LBPRGKRZSA-N 1 2 331.420 2.638 40 0 EFABLO CC(C)N(C)c1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)cn1 ZINC000191522341 473550391 /nfs/dbraw/zinc/55/03/91/473550391.db2.gz ZAXLAZXNCWFFRB-UHFFFAOYSA-N 1 2 341.459 2.770 40 0 EFABLO CN(C)c1cc(CSCc2nnnn2-c2ccccc2)cc[nH+]1 ZINC000127364514 473603528 /nfs/dbraw/zinc/60/35/28/473603528.db2.gz RCUXGDIUROWYMH-UHFFFAOYSA-N 1 2 326.429 2.557 40 0 EFABLO CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000153922127 473650682 /nfs/dbraw/zinc/65/06/82/473650682.db2.gz CWHOEDYZWWUMRT-HOTGVXAUSA-N 1 2 344.463 2.528 40 0 EFABLO O=C(OC[C@@H]1CCOc2ccccc21)c1ccnc(-n2cc[nH+]c2)c1 ZINC000127839288 473655367 /nfs/dbraw/zinc/65/53/67/473655367.db2.gz HSPHATXVHMKSHK-HNNXBMFYSA-N 1 2 335.363 2.990 40 0 EFABLO COc1ccccc1N1CC[C@@H]([N@H+](Cc2ccccn2)C2CC2)C1=O ZINC000192719464 473713050 /nfs/dbraw/zinc/71/30/50/473713050.db2.gz QSAJWWRBOURWOB-GOSISDBHSA-N 1 2 337.423 2.860 40 0 EFABLO COc1ccccc1N1CC[C@@H]([N@@H+](Cc2ccccn2)C2CC2)C1=O ZINC000192719464 473713055 /nfs/dbraw/zinc/71/30/55/473713055.db2.gz QSAJWWRBOURWOB-GOSISDBHSA-N 1 2 337.423 2.860 40 0 EFABLO COc1cc(C[NH+]2CCN([C@H](C)c3ccccn3)CC2)ccc1O ZINC000194993788 473987721 /nfs/dbraw/zinc/98/77/21/473987721.db2.gz AVZXEBBDESYSDR-OAHLLOKOSA-N 1 2 327.428 2.675 40 0 EFABLO C[C@H]1COCC[N@@H+]1CCSc1nncn1-c1cccc(Cl)c1 ZINC000188252487 474035154 /nfs/dbraw/zinc/03/51/54/474035154.db2.gz HFEMKYNNNFDBFH-LBPRGKRZSA-N 1 2 338.864 2.734 40 0 EFABLO C[C@H]1COCC[N@H+]1CCSc1nncn1-c1cccc(Cl)c1 ZINC000188252487 474035159 /nfs/dbraw/zinc/03/51/59/474035159.db2.gz HFEMKYNNNFDBFH-LBPRGKRZSA-N 1 2 338.864 2.734 40 0 EFABLO O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000195530304 474090737 /nfs/dbraw/zinc/09/07/37/474090737.db2.gz ZHHJOCMOABWWCP-ZGXWSNOMSA-N 1 2 342.483 2.830 40 0 EFABLO O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000195530304 474090742 /nfs/dbraw/zinc/09/07/42/474090742.db2.gz ZHHJOCMOABWWCP-ZGXWSNOMSA-N 1 2 342.483 2.830 40 0 EFABLO O=C(OCc1nc(C2CC2)cs1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000195576413 474100619 /nfs/dbraw/zinc/10/06/19/474100619.db2.gz XWUUOCUVKCPCMW-UHFFFAOYSA-N 1 2 326.381 2.958 40 0 EFABLO O=C(NCc1cncc2c1CC[N@H+](Cc1ccccn1)C2)c1ccco1 ZINC000247504362 474166587 /nfs/dbraw/zinc/16/65/87/474166587.db2.gz QWQLVCVRGMDSMP-UHFFFAOYSA-N 1 2 348.406 2.558 40 0 EFABLO O=C(NCc1cncc2c1CC[N@@H+](Cc1ccccn1)C2)c1ccco1 ZINC000247504362 474166588 /nfs/dbraw/zinc/16/65/88/474166588.db2.gz QWQLVCVRGMDSMP-UHFFFAOYSA-N 1 2 348.406 2.558 40 0 EFABLO Fc1cccc(C[NH+]2CC3(C2)OCC[C@H]3COCC2CCOCC2)c1 ZINC000247537369 474176096 /nfs/dbraw/zinc/17/60/96/474176096.db2.gz QYQGJMIOTLODLN-SFHVURJKSA-N 1 2 349.446 2.860 40 0 EFABLO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCn1cc[nH+]c1 ZINC000224063680 474193024 /nfs/dbraw/zinc/19/30/24/474193024.db2.gz BHNDIHLYMFIWEA-HNNXBMFYSA-N 1 2 327.428 2.736 40 0 EFABLO Cc1cc(C)cc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)c1 ZINC000224141175 474195248 /nfs/dbraw/zinc/19/52/48/474195248.db2.gz MMRKZPALGQMKFR-UHFFFAOYSA-N 1 2 328.420 2.869 40 0 EFABLO COc1cccc2c1CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC000225484959 474216376 /nfs/dbraw/zinc/21/63/76/474216376.db2.gz SNESRUOFSCJAOM-UHFFFAOYSA-N 1 2 342.468 2.601 40 0 EFABLO COc1cccc2c1CCN(c1cc(N3CCSCC3)nc[nH+]1)C2 ZINC000225484959 474216383 /nfs/dbraw/zinc/21/63/83/474216383.db2.gz SNESRUOFSCJAOM-UHFFFAOYSA-N 1 2 342.468 2.601 40 0 EFABLO Nc1[nH+]cnc(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1Cl ZINC000225478558 474216904 /nfs/dbraw/zinc/21/69/04/474216904.db2.gz KACWQSYSDGNDPU-AWEZNQCLSA-N 1 2 336.798 2.801 40 0 EFABLO Nc1nc[nH+]c(N2CCC([C@@H](O)c3ccc(F)cc3)CC2)c1Cl ZINC000225478558 474216910 /nfs/dbraw/zinc/21/69/10/474216910.db2.gz KACWQSYSDGNDPU-AWEZNQCLSA-N 1 2 336.798 2.801 40 0 EFABLO Clc1ccc2c(c1)CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC000225491536 474218547 /nfs/dbraw/zinc/21/85/47/474218547.db2.gz VZMPYYBGCXKCEX-UHFFFAOYSA-N 1 2 330.819 2.529 40 0 EFABLO Clc1ccc2c(c1)CCN(c1cc(N3CCOCC3)nc[nH+]1)C2 ZINC000225491536 474218553 /nfs/dbraw/zinc/21/85/53/474218553.db2.gz VZMPYYBGCXKCEX-UHFFFAOYSA-N 1 2 330.819 2.529 40 0 EFABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4ccoc4)C3)C2)n1 ZINC000247882539 474219637 /nfs/dbraw/zinc/21/96/37/474219637.db2.gz RPWKCALGNQARKM-SFHVURJKSA-N 1 2 328.412 2.933 40 0 EFABLO O=C(CC1CC1)NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247878862 474219774 /nfs/dbraw/zinc/21/97/74/474219774.db2.gz UUVFTCUTYXKOOB-MRXNPFEDSA-N 1 2 344.484 2.808 40 0 EFABLO O=C(CC1CC1)NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247878862 474219783 /nfs/dbraw/zinc/21/97/83/474219783.db2.gz UUVFTCUTYXKOOB-MRXNPFEDSA-N 1 2 344.484 2.808 40 0 EFABLO O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000225511465 474219819 /nfs/dbraw/zinc/21/98/19/474219819.db2.gz YTQLHRDYOXHOQO-JTQLQIEISA-N 1 2 339.317 2.730 40 0 EFABLO O=C(NCc1ccccc1OC(F)(F)F)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000225511465 474219826 /nfs/dbraw/zinc/21/98/26/474219826.db2.gz YTQLHRDYOXHOQO-JTQLQIEISA-N 1 2 339.317 2.730 40 0 EFABLO COc1ccc(CNC(=S)Nc2cc[nH+]cc2)c(OC)c1OC ZINC000225527725 474220572 /nfs/dbraw/zinc/22/05/72/474220572.db2.gz MFIMJOMYGUCDDD-UHFFFAOYSA-N 1 2 333.413 2.594 40 0 EFABLO C[C@@H](C[C@H](O)c1cccs1)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000225562790 474225106 /nfs/dbraw/zinc/22/51/06/474225106.db2.gz LPTLAGMAHDNYNW-AAEUAGOBSA-N 1 2 346.443 2.653 40 0 EFABLO COc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CCO3)cc1 ZINC000247921657 474225729 /nfs/dbraw/zinc/22/57/29/474225729.db2.gz XZISKVNSMWOOBQ-GOSISDBHSA-N 1 2 340.423 2.903 40 0 EFABLO COC(=O)C[N@H+](Cc1cnc(-c2ccco2)s1)C1CCOCC1 ZINC000225623788 474230261 /nfs/dbraw/zinc/23/02/61/474230261.db2.gz ILGLEPUJDPATJW-UHFFFAOYSA-N 1 2 336.413 2.557 40 0 EFABLO COC(=O)C[N@@H+](Cc1cnc(-c2ccco2)s1)C1CCOCC1 ZINC000225623788 474230273 /nfs/dbraw/zinc/23/02/73/474230273.db2.gz ILGLEPUJDPATJW-UHFFFAOYSA-N 1 2 336.413 2.557 40 0 EFABLO CCOC(=O)[C@H]1CCCN(c2cc(C)[nH+]c(-c3cccc(N)c3)n2)C1 ZINC000226104489 474239293 /nfs/dbraw/zinc/23/92/93/474239293.db2.gz MAPLURWZOCXPDV-HNNXBMFYSA-N 1 2 340.427 2.814 40 0 EFABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCC2CCCC2)CS3)n(C)n1 ZINC000248041045 474249843 /nfs/dbraw/zinc/24/98/43/474249843.db2.gz OGBCFPXOMUJCHA-QGZVFWFLSA-N 1 2 335.517 2.995 40 0 EFABLO CCCc1ncc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)cn1 ZINC000248081674 474256836 /nfs/dbraw/zinc/25/68/36/474256836.db2.gz JQZFTKFNBARSGJ-ROUUACIJSA-N 1 2 336.439 2.972 40 0 EFABLO CCCc1ncc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@H]3C2)cn1 ZINC000248081674 474256841 /nfs/dbraw/zinc/25/68/41/474256841.db2.gz JQZFTKFNBARSGJ-ROUUACIJSA-N 1 2 336.439 2.972 40 0 EFABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2ccncc2)CCO3)o1 ZINC000248075957 474257089 /nfs/dbraw/zinc/25/70/89/474257089.db2.gz HJPWKYYPQSPPKV-KRWDZBQOSA-N 1 2 328.412 2.933 40 0 EFABLO Cc1ncsc1CN1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000248075294 474257762 /nfs/dbraw/zinc/25/77/62/474257762.db2.gz ZPVCYTKQIGNJQZ-HNNXBMFYSA-N 1 2 344.484 2.940 40 0 EFABLO Cc1nnc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)s1 ZINC000239667699 474546161 /nfs/dbraw/zinc/54/61/61/474546161.db2.gz BRMKOCQUTURDEE-ZDUSSCGKSA-N 1 2 332.477 2.544 40 0 EFABLO Cc1nnc(C[N@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)s1 ZINC000239667699 474546165 /nfs/dbraw/zinc/54/61/65/474546165.db2.gz BRMKOCQUTURDEE-ZDUSSCGKSA-N 1 2 332.477 2.544 40 0 EFABLO Cc1ccc2nc([C@@H]3CCC[N@H+](Cc4ncnn4CCF)C3)[nH]c2c1 ZINC000240569377 474551020 /nfs/dbraw/zinc/55/10/20/474551020.db2.gz HABUCWHKKSNKDH-CQSZACIVSA-N 1 2 342.422 2.812 40 0 EFABLO Cc1ccc2nc([C@@H]3CCC[N@@H+](Cc4ncnn4CCF)C3)[nH]c2c1 ZINC000240569377 474551027 /nfs/dbraw/zinc/55/10/27/474551027.db2.gz HABUCWHKKSNKDH-CQSZACIVSA-N 1 2 342.422 2.812 40 0 EFABLO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](Cc4ncnn4CCF)C3)nc2c1 ZINC000240569377 474551032 /nfs/dbraw/zinc/55/10/32/474551032.db2.gz HABUCWHKKSNKDH-CQSZACIVSA-N 1 2 342.422 2.812 40 0 EFABLO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ncnn4CCF)C3)nc2c1 ZINC000240569377 474551038 /nfs/dbraw/zinc/55/10/38/474551038.db2.gz HABUCWHKKSNKDH-CQSZACIVSA-N 1 2 342.422 2.812 40 0 EFABLO O=C(/C=C/c1ccco1)NC[C@@H](c1ccco1)[NH+]1CCSCC1 ZINC000245053437 474571158 /nfs/dbraw/zinc/57/11/58/474571158.db2.gz OUKTWPKTOHUAPO-HNNXBMFYSA-N 1 2 332.425 2.792 40 0 EFABLO Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000245305017 474573641 /nfs/dbraw/zinc/57/36/41/474573641.db2.gz HOBKVEVZTHEEEL-UFYCRDLUSA-N 1 2 342.483 2.812 40 0 EFABLO OC[C@H]1CCCN1c1cc(N2CCC[C@H]2c2ccsc2)nc[nH+]1 ZINC000267262330 474631814 /nfs/dbraw/zinc/63/18/14/474631814.db2.gz XCQLXOGFSCWAIE-CABCVRRESA-N 1 2 330.457 2.841 40 0 EFABLO OC[C@H]1CCCN1c1cc(N2CCC[C@H]2c2ccsc2)[nH+]cn1 ZINC000267262330 474631818 /nfs/dbraw/zinc/63/18/18/474631818.db2.gz XCQLXOGFSCWAIE-CABCVRRESA-N 1 2 330.457 2.841 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCCC[C@H]1c1ccnn1C ZINC000252480230 474666187 /nfs/dbraw/zinc/66/61/87/474666187.db2.gz BYSQEHMFIXCKKG-INIZCTEOSA-N 1 2 344.463 2.709 40 0 EFABLO CN(C)c1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)nc2ccccc21 ZINC000252484749 474671473 /nfs/dbraw/zinc/67/14/73/474671473.db2.gz GGKOAXXSNHFFGM-UHFFFAOYSA-N 1 2 349.438 2.975 40 0 EFABLO C[C@H](Sc1ccccc1C(=O)Nc1cccc2[nH+]ccn21)C(N)=O ZINC000253396864 474735137 /nfs/dbraw/zinc/73/51/37/474735137.db2.gz WJVUAHQZKYWMMW-NSHDSACASA-N 1 2 340.408 2.553 40 0 EFABLO CCc1ccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1CC ZINC000253418404 474745744 /nfs/dbraw/zinc/74/57/44/474745744.db2.gz RIHNDSPINVDMMX-ROUUACIJSA-N 1 2 331.460 2.748 40 0 EFABLO CCc1ccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc1CC ZINC000253418404 474745754 /nfs/dbraw/zinc/74/57/54/474745754.db2.gz RIHNDSPINVDMMX-ROUUACIJSA-N 1 2 331.460 2.748 40 0 EFABLO COc1cccc2c1CC[C@@H]2NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000253419704 474746544 /nfs/dbraw/zinc/74/65/44/474746544.db2.gz BSWXNXLRGMKTHT-INIZCTEOSA-N 1 2 340.427 2.995 40 0 EFABLO COc1cccc2c1CC[C@@H]2NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000253419704 474746550 /nfs/dbraw/zinc/74/65/50/474746550.db2.gz BSWXNXLRGMKTHT-INIZCTEOSA-N 1 2 340.427 2.995 40 0 EFABLO COc1cccc2c1CC[C@H]2NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000253419707 474747552 /nfs/dbraw/zinc/74/75/52/474747552.db2.gz BSWXNXLRGMKTHT-MRXNPFEDSA-N 1 2 340.427 2.995 40 0 EFABLO COc1cccc2c1CC[C@H]2NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000253419707 474747559 /nfs/dbraw/zinc/74/75/59/474747559.db2.gz BSWXNXLRGMKTHT-MRXNPFEDSA-N 1 2 340.427 2.995 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCN(C)c2ccccc2C1 ZINC000253431299 474756988 /nfs/dbraw/zinc/75/69/88/474756988.db2.gz OWUNFIAHYOHVCI-UHFFFAOYSA-N 1 2 341.459 2.701 40 0 EFABLO CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000253432584 474757704 /nfs/dbraw/zinc/75/77/04/474757704.db2.gz LMIPBUXSBAWGNG-HIFRSBDPSA-N 1 2 330.436 2.855 40 0 EFABLO Cc1ccnc(O[C@@H]2CCOC3(C[NH+](Cc4cccc(F)c4)C3)C2)n1 ZINC000253476566 474761777 /nfs/dbraw/zinc/76/17/77/474761777.db2.gz AEHQCUXICUDBPF-QGZVFWFLSA-N 1 2 343.402 2.737 40 0 EFABLO c1ccc(C[N@@H+]2CCc3nn4ccc(N5CCCC5)nc4c3C2)cc1 ZINC000306134616 474809753 /nfs/dbraw/zinc/80/97/53/474809753.db2.gz NTPJMMUSQKMCNV-UHFFFAOYSA-N 1 2 333.439 2.888 40 0 EFABLO c1ccc(C[N@H+]2CCc3nn4ccc(N5CCCC5)nc4c3C2)cc1 ZINC000306134616 474809758 /nfs/dbraw/zinc/80/97/58/474809758.db2.gz NTPJMMUSQKMCNV-UHFFFAOYSA-N 1 2 333.439 2.888 40 0 EFABLO CC(C)n1cc[nH+]c1[C@@H]1CN(C(=O)c2ccnn2C)Cc2ccccc21 ZINC000306133894 474810794 /nfs/dbraw/zinc/81/07/94/474810794.db2.gz MYPOJSPCDYTXCI-QGZVFWFLSA-N 1 2 349.438 2.985 40 0 EFABLO c1csc(CN2Cc3c[nH+]cn3[C@@H](COCc3ccccn3)C2)n1 ZINC000306138666 474811325 /nfs/dbraw/zinc/81/13/25/474811325.db2.gz SDWFSAPOIPOTRE-MRXNPFEDSA-N 1 2 341.440 2.508 40 0 EFABLO Cc1nc([C@H]2CCCN2c2cc(N3CCC[C@@H]3CO)[nH+]cn2)cs1 ZINC000293238957 474884290 /nfs/dbraw/zinc/88/42/90/474884290.db2.gz WDCZCJCOOPBCSM-UKRRQHHQSA-N 1 2 345.472 2.544 40 0 EFABLO Cc1nc([C@H]2CCCN2c2cc(N3CCC[C@@H]3CO)nc[nH+]2)cs1 ZINC000293238957 474884296 /nfs/dbraw/zinc/88/42/96/474884296.db2.gz WDCZCJCOOPBCSM-UKRRQHHQSA-N 1 2 345.472 2.544 40 0 EFABLO COc1ccc([C@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2cnco2)cc1 ZINC000257214259 474924361 /nfs/dbraw/zinc/92/43/61/474924361.db2.gz CLGQKECFFPYWMK-OAHLLOKOSA-N 1 2 338.367 2.585 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc(N3CCCC3)cc2)[nH+]1 ZINC000257259325 474926346 /nfs/dbraw/zinc/92/63/46/474926346.db2.gz KXUYIXVBGRYAIU-KRWDZBQOSA-N 1 2 340.427 2.532 40 0 EFABLO CC(=O)N1CC[N@@H+](Cc2nc3ccccc3n2C)C[C@H]1c1ccccc1 ZINC000257229215 474928123 /nfs/dbraw/zinc/92/81/23/474928123.db2.gz FXFHLNPKHHZYMG-FQEVSTJZSA-N 1 2 348.450 2.979 40 0 EFABLO CC(=O)N1CC[N@H+](Cc2nc3ccccc3n2C)C[C@H]1c1ccccc1 ZINC000257229215 474928127 /nfs/dbraw/zinc/92/81/27/474928127.db2.gz FXFHLNPKHHZYMG-FQEVSTJZSA-N 1 2 348.450 2.979 40 0 EFABLO Cc1cc(-c2nccn2C)nc([C@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000257282427 474930215 /nfs/dbraw/zinc/93/02/15/474930215.db2.gz OTTBPFOMRKHRAT-OAHLLOKOSA-N 1 2 335.415 2.625 40 0 EFABLO CN(C(=O)c1n[nH]c2ccccc21)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257288802 474935278 /nfs/dbraw/zinc/93/52/78/474935278.db2.gz PVTWZDRBSIMKCF-AWEZNQCLSA-N 1 2 335.411 2.699 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cn4cc(C)ccc4n3)C2)[nH+]1 ZINC000257291688 474936645 /nfs/dbraw/zinc/93/66/45/474936645.db2.gz QIEKFEGXSABEBD-OAHLLOKOSA-N 1 2 337.427 2.704 40 0 EFABLO CCOc1ncccc1C(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257293169 474937041 /nfs/dbraw/zinc/93/70/41/474937041.db2.gz QOKDINAYDMMYLN-OAHLLOKOSA-N 1 2 340.427 2.616 40 0 EFABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1ccc2c(c1)CCCC2 ZINC000257296945 474937820 /nfs/dbraw/zinc/93/78/20/474937820.db2.gz RFCWPURJBMBNDY-GUDVDZBRSA-N 1 2 339.439 2.646 40 0 EFABLO Cc1cc(NC2CC3(C2)CCN(C(=O)Cc2cccs2)C3)nc[nH+]1 ZINC000257300859 474940465 /nfs/dbraw/zinc/94/04/65/474940465.db2.gz RVYONULKODDROW-UHFFFAOYSA-N 1 2 342.468 2.882 40 0 EFABLO CCCCc1[nH]c(CN2CCO[C@H](CCc3cc(C)ncn3)C2)c[nH+]1 ZINC000257299973 474940799 /nfs/dbraw/zinc/94/07/99/474940799.db2.gz RSJDVXQNAUEKRN-GOSISDBHSA-N 1 2 343.475 2.684 40 0 EFABLO CCCCc1[nH]cc(CN2CCO[C@H](CCc3cc(C)ncn3)C2)[nH+]1 ZINC000257299973 474940805 /nfs/dbraw/zinc/94/08/05/474940805.db2.gz RSJDVXQNAUEKRN-GOSISDBHSA-N 1 2 343.475 2.684 40 0 EFABLO c1ccc(N2CC[NH+](Cc3ccnc([C@@H]4CCCOC4)n3)CC2)cc1 ZINC000257303484 474943375 /nfs/dbraw/zinc/94/33/75/474943375.db2.gz SHLFBVWIHODBRO-QGZVFWFLSA-N 1 2 338.455 2.693 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257313860 474948086 /nfs/dbraw/zinc/94/80/86/474948086.db2.gz UUJWOYYHYXUMRK-OAHLLOKOSA-N 1 2 337.427 2.549 40 0 EFABLO CC(C)c1cc(C(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)cs1 ZINC000257310834 474948371 /nfs/dbraw/zinc/94/83/71/474948371.db2.gz UGVCCHMSVKONSE-SFHVURJKSA-N 1 2 345.468 2.638 40 0 EFABLO CNc1cccc(CC[C@@H]2CCCCN2C(=O)C2CCOCC2)[nH+]1 ZINC000257316306 474950009 /nfs/dbraw/zinc/95/00/09/474950009.db2.gz VEZXZQFDMMXJPN-KRWDZBQOSA-N 1 2 331.460 2.864 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccnn2C(C)C)CC[N@@H+]1C ZINC000257320602 474950711 /nfs/dbraw/zinc/95/07/11/474950711.db2.gz VXNUAKCYPYFGGQ-KRWDZBQOSA-N 1 2 342.443 2.602 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccnn2C(C)C)CC[N@H+]1C ZINC000257320602 474950716 /nfs/dbraw/zinc/95/07/16/474950716.db2.gz VXNUAKCYPYFGGQ-KRWDZBQOSA-N 1 2 342.443 2.602 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)c2ccnn2C(C)C)CC[N@@H+]1C ZINC000257320603 474951020 /nfs/dbraw/zinc/95/10/20/474951020.db2.gz VXNUAKCYPYFGGQ-QGZVFWFLSA-N 1 2 342.443 2.602 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)c2ccnn2C(C)C)CC[N@H+]1C ZINC000257320603 474951027 /nfs/dbraw/zinc/95/10/27/474951027.db2.gz VXNUAKCYPYFGGQ-QGZVFWFLSA-N 1 2 342.443 2.602 40 0 EFABLO CCCO[C@H]1CCCN(C(=O)c2cncc(-c3ccc(N)[nH+]c3)c2)C1 ZINC000257325510 474955092 /nfs/dbraw/zinc/95/50/92/474955092.db2.gz WTFJNOFBEOSMRE-KRWDZBQOSA-N 1 2 340.427 2.757 40 0 EFABLO Cc1nn(C)c2nc([C@@]3(C)CCCN(c4cc(C)[nH+]cn4)C3)ccc12 ZINC000257325098 474955921 /nfs/dbraw/zinc/95/59/21/474955921.db2.gz WRLFWCCLHXLMLL-IBGZPJMESA-N 1 2 336.443 2.933 40 0 EFABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000257325922 474955999 /nfs/dbraw/zinc/95/59/99/474955999.db2.gz WVAQBMKWAGCNJE-FQEVSTJZSA-N 1 2 349.438 2.537 40 0 EFABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000257325922 474956008 /nfs/dbraw/zinc/95/60/08/474956008.db2.gz WVAQBMKWAGCNJE-FQEVSTJZSA-N 1 2 349.438 2.537 40 0 EFABLO CN(C)c1cc([C@H]2CCCN(S(=O)(=O)C3CCCC3)C2)cc[nH+]1 ZINC000257330365 474957390 /nfs/dbraw/zinc/95/73/90/474957390.db2.gz XOBGXADFFQMUKT-HNNXBMFYSA-N 1 2 337.489 2.599 40 0 EFABLO Cc1cc(-c2nccn2C)nc([C@@H]2CCCN2c2cc(C)[nH+]cn2)n1 ZINC000257328239 474957485 /nfs/dbraw/zinc/95/74/85/474957485.db2.gz XEURCSWVELCYHW-HNNXBMFYSA-N 1 2 335.415 2.625 40 0 EFABLO CC(=O)N1CCN(Cc2[nH+]ccn2C(C)C)C[C@H]1c1ccccc1 ZINC000257344627 474964761 /nfs/dbraw/zinc/96/47/61/474964761.db2.gz ZYBCXEJEAJLFMT-SFHVURJKSA-N 1 2 326.444 2.869 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)cc[nH+]1 ZINC000257344819 474965022 /nfs/dbraw/zinc/96/50/22/474965022.db2.gz ZYTZVNSGNDAHII-MRXNPFEDSA-N 1 2 348.410 2.681 40 0 EFABLO C[N@@H+]1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C[C@@H]1c1ccccc1 ZINC000257344109 474965729 /nfs/dbraw/zinc/96/57/29/474965729.db2.gz ZVTZOJGKEWXODL-LJQANCHMSA-N 1 2 347.422 2.601 40 0 EFABLO C[N@H+]1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C[C@@H]1c1ccccc1 ZINC000257344109 474965732 /nfs/dbraw/zinc/96/57/32/474965732.db2.gz ZVTZOJGKEWXODL-LJQANCHMSA-N 1 2 347.422 2.601 40 0 EFABLO Cc1ccc(Br)cc1-c1noc([C@H]2C[N@H+](C)CCO2)n1 ZINC000331677032 475373206 /nfs/dbraw/zinc/37/32/06/475373206.db2.gz OZCBULGLGRQKLK-GFCCVEGCSA-N 1 2 338.205 2.811 40 0 EFABLO Cc1ccc(Br)cc1-c1noc([C@H]2C[N@@H+](C)CCO2)n1 ZINC000331677032 475373211 /nfs/dbraw/zinc/37/32/11/475373211.db2.gz OZCBULGLGRQKLK-GFCCVEGCSA-N 1 2 338.205 2.811 40 0 EFABLO Cc1nc(C)c(CCNc2cc(N3CCSCC3)nc[nH+]2)s1 ZINC000302869194 476209523 /nfs/dbraw/zinc/20/95/23/476209523.db2.gz AOAFXYIJILHTSB-UHFFFAOYSA-N 1 2 335.502 2.758 40 0 EFABLO Cc1nc(C)c(CCNc2cc(N3CCSCC3)[nH+]cn2)s1 ZINC000302869194 476209537 /nfs/dbraw/zinc/20/95/37/476209537.db2.gz AOAFXYIJILHTSB-UHFFFAOYSA-N 1 2 335.502 2.758 40 0 EFABLO C[C@H](C[C@@H](O)c1ccco1)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302875910 476210288 /nfs/dbraw/zinc/21/02/88/476210288.db2.gz FFORHSZGJXOABG-CHWSQXEVSA-N 1 2 334.445 2.547 40 0 EFABLO C[C@H](C[C@@H](O)c1ccco1)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302875910 476210298 /nfs/dbraw/zinc/21/02/98/476210298.db2.gz FFORHSZGJXOABG-CHWSQXEVSA-N 1 2 334.445 2.547 40 0 EFABLO C[C@H](C[C@H](O)c1ccco1)Nc1cc(N2CCSCC2)nc[nH+]1 ZINC000302875911 476210833 /nfs/dbraw/zinc/21/08/33/476210833.db2.gz FFORHSZGJXOABG-OLZOCXBDSA-N 1 2 334.445 2.547 40 0 EFABLO C[C@H](C[C@H](O)c1ccco1)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000302875911 476210840 /nfs/dbraw/zinc/21/08/40/476210840.db2.gz FFORHSZGJXOABG-OLZOCXBDSA-N 1 2 334.445 2.547 40 0 EFABLO c1ccc(N2CCOCC2)c(CNc2cc(N3CCCC3)nc[nH+]2)c1 ZINC000302913964 476211788 /nfs/dbraw/zinc/21/17/88/476211788.db2.gz UWEXZHZQWYHAKK-UHFFFAOYSA-N 1 2 339.443 2.526 40 0 EFABLO c1ccc(N2CCOCC2)c(CNc2cc(N3CCCC3)[nH+]cn2)c1 ZINC000302913964 476211797 /nfs/dbraw/zinc/21/17/97/476211797.db2.gz UWEXZHZQWYHAKK-UHFFFAOYSA-N 1 2 339.443 2.526 40 0 EFABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cc(C)cc(C)c1 ZINC000585094566 479279584 /nfs/dbraw/zinc/27/95/84/479279584.db2.gz BSZHODMADSMOCU-MRXNPFEDSA-N 1 2 327.428 2.641 40 0 EFABLO C[C@H]1c2[nH+]cc(CCOc3cccnc3)n2CCN1Cc1cccnc1 ZINC000585097313 479281155 /nfs/dbraw/zinc/28/11/55/479281155.db2.gz ILIYNFFPENOXDO-INIZCTEOSA-N 1 2 349.438 2.871 40 0 EFABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1cccs1)C2)N1CCCC1 ZINC000585102614 479284386 /nfs/dbraw/zinc/28/43/86/479284386.db2.gz CCQFGPAEPVDTQE-HNNXBMFYSA-N 1 2 349.500 2.535 40 0 EFABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)n1 ZINC000585103954 479284919 /nfs/dbraw/zinc/28/49/19/479284919.db2.gz FCAIDWLMZSRBRC-IBGZPJMESA-N 1 2 339.439 2.735 40 0 EFABLO CNC(=O)C[C@@H]1C[N@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000585112942 479289644 /nfs/dbraw/zinc/28/96/44/479289644.db2.gz XBJVCSNLQPLZSB-GOSISDBHSA-N 1 2 334.423 2.729 40 0 EFABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000585112942 479289647 /nfs/dbraw/zinc/28/96/47/479289647.db2.gz XBJVCSNLQPLZSB-GOSISDBHSA-N 1 2 334.423 2.729 40 0 EFABLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cnc(C2CC2)o1 ZINC000585140510 479297030 /nfs/dbraw/zinc/29/70/30/479297030.db2.gz GKLDPBQESLXFLB-UHFFFAOYSA-N 1 2 336.395 2.921 40 0 EFABLO CS(C)(=O)=Nc1ccccc1NC(=O)NCCNc1cccc[nH+]1 ZINC000585140561 479297206 /nfs/dbraw/zinc/29/72/06/479297206.db2.gz HDWQFZVOFWYEKL-UHFFFAOYSA-N 1 2 347.444 2.674 40 0 EFABLO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2ncccn2)[C@H]1C ZINC000585141589 479299016 /nfs/dbraw/zinc/29/90/16/479299016.db2.gz DDVLYRWZHZUYFE-QLFBSQMISA-N 1 2 334.464 2.990 40 0 EFABLO C[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2ncccn2)[C@H]1C ZINC000585141589 479299022 /nfs/dbraw/zinc/29/90/22/479299022.db2.gz DDVLYRWZHZUYFE-QLFBSQMISA-N 1 2 334.464 2.990 40 0 EFABLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1Cc1ccc(C)cc1 ZINC000585288618 479309232 /nfs/dbraw/zinc/30/92/32/479309232.db2.gz FRINOIACLUNDFO-RXOIRPBWSA-N 1 2 339.439 2.838 40 0 EFABLO CO[C@@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1Cc1ccc(C)cc1 ZINC000585288693 479309632 /nfs/dbraw/zinc/30/96/32/479309632.db2.gz HTVDBLQAQXDNEG-RXOIRPBWSA-N 1 2 339.439 2.838 40 0 EFABLO COc1cc(C(=O)N2CC[C@@H](n3c(C)[nH+]c4ccccc43)C2)ccn1 ZINC000575414551 479442625 /nfs/dbraw/zinc/44/26/25/479442625.db2.gz JPFRXPRWYVBGQW-OAHLLOKOSA-N 1 2 336.395 2.836 40 0 EFABLO Cc1cc(N2CCN(c3ccc(C4CC4)nn3)CC2)nc(C2CC2)[nH+]1 ZINC000575607923 479451977 /nfs/dbraw/zinc/45/19/77/479451977.db2.gz LJMFLYUNKBVPIL-UHFFFAOYSA-N 1 2 336.443 2.656 40 0 EFABLO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650767604 481329724 /nfs/dbraw/zinc/32/97/24/481329724.db2.gz AMMMBYYVQQFLTE-CYBMUJFWSA-N 1 2 346.456 2.503 40 0 EFABLO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650767604 481329730 /nfs/dbraw/zinc/32/97/30/481329730.db2.gz AMMMBYYVQQFLTE-CYBMUJFWSA-N 1 2 346.456 2.503 40 0 EFABLO CC(=O)N1CCN(Cc2[nH]cc[nH+]2)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257343563 534797224 /nfs/dbraw/zinc/79/72/24/534797224.db2.gz ZTMIZJUZJYHVDS-SFHVURJKSA-N 1 2 342.443 2.602 40 0 EFABLO CCc1nnsc1C(=O)N1CCC[C@@H](c2cc[nH+]c(NC)c2)C1 ZINC000257277738 535864879 /nfs/dbraw/zinc/86/48/79/535864879.db2.gz NZDXLKGIDPVOAQ-GFCCVEGCSA-N 1 2 331.445 2.557 40 0 EFABLO CCn1cc(C(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)c(C)n1 ZINC000257266292 536031869 /nfs/dbraw/zinc/03/18/69/536031869.db2.gz MCIBOZSWDWKJKD-KRWDZBQOSA-N 1 2 335.411 2.805 40 0 EFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)Cn2cnc3ccccc32)cc[nH+]1 ZINC000257228074 536144622 /nfs/dbraw/zinc/14/46/22/536144622.db2.gz FSEMVPBMIYLYSA-KRWDZBQOSA-N 1 2 349.438 2.861 40 0 EFABLO CN(C)c1cc([C@H]2CCCN(C(=O)/C=C/c3ccncc3)C2)cc[nH+]1 ZINC000257251111 536145634 /nfs/dbraw/zinc/14/56/34/536145634.db2.gz JPKXSYGAWDVNQN-QWNKOJSDSA-N 1 2 336.439 2.962 40 0 EFABLO COc1ccc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1F ZINC000257256281 536702514 /nfs/dbraw/zinc/70/25/14/536702514.db2.gz KKUPBBZOCULXND-HNNXBMFYSA-N 1 2 343.402 2.970 40 0 EFABLO COc1ccc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000257248918 536703000 /nfs/dbraw/zinc/70/30/00/536703000.db2.gz JFUSLCJWGMJZHN-INIZCTEOSA-N 1 2 325.412 2.831 40 0 EFABLO COc1ccc(NC(=O)CO[C@@H]2[NH+]=C(C(C)C)NC(C)=C2C)cc1 ZINC000057524281 1101200768 /nfs/dbraw/zinc/20/07/68/1101200768.db2.gz XHRVWPNUXJNNPK-SFHVURJKSA-N 1 2 331.416 2.928 40 0 EFABLO CN1C(=O)CCc2cc(C[N@@H+]3CCO[C@@H](c4nccs4)C3)ccc21 ZINC000186928970 530043133 /nfs/dbraw/zinc/04/31/33/530043133.db2.gz NXNITRLOAFTBDZ-MRXNPFEDSA-N 1 2 343.452 2.626 40 0 EFABLO CN1C(=O)CCc2cc(C[N@H+]3CCO[C@@H](c4nccs4)C3)ccc21 ZINC000186928970 530043134 /nfs/dbraw/zinc/04/31/34/530043134.db2.gz NXNITRLOAFTBDZ-MRXNPFEDSA-N 1 2 343.452 2.626 40 0 EFABLO Fc1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)[NH+]2CCCCC2)cc1 ZINC000004190649 210142056 /nfs/dbraw/zinc/14/20/56/210142056.db2.gz NOBMMMGQBYPYPB-DLBZAZTESA-N 1 2 345.422 2.567 40 0 EFABLO COc1ccc([C@H]2CC[N@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)cc1 ZINC000066793528 215079788 /nfs/dbraw/zinc/07/97/88/215079788.db2.gz OEPRIGGHUYVQCE-INIZCTEOSA-N 1 2 341.455 2.996 40 0 EFABLO COc1ccc([C@H]2CC[N@@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)cc1 ZINC000066793528 215079789 /nfs/dbraw/zinc/07/97/89/215079789.db2.gz OEPRIGGHUYVQCE-INIZCTEOSA-N 1 2 341.455 2.996 40 0 EFABLO O[C@@H](COCc1ccccc1)C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000067227912 215126637 /nfs/dbraw/zinc/12/66/37/215126637.db2.gz BBTNZXQNMRXEDZ-UXHICEINSA-N 1 2 345.414 2.777 40 0 EFABLO O[C@@H](COCc1ccccc1)C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000067227912 215126641 /nfs/dbraw/zinc/12/66/41/215126641.db2.gz BBTNZXQNMRXEDZ-UXHICEINSA-N 1 2 345.414 2.777 40 0 EFABLO COCc1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000068393690 215305335 /nfs/dbraw/zinc/30/53/35/215305335.db2.gz XCLBCNSGWWGRBV-UHFFFAOYSA-N 1 2 340.423 2.918 40 0 EFABLO O=S1(=O)[C@H](C2CCCCC2)[C@@]2([NH+]3CCOCC3)CCCCC[C@@H]21 ZINC000104126422 219349553 /nfs/dbraw/zinc/34/95/53/219349553.db2.gz KFAGSDTTWOOWFW-RCCFBDPRSA-N 1 2 341.517 2.767 40 0 EFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)no1 ZINC000036686115 213109711 /nfs/dbraw/zinc/10/97/11/213109711.db2.gz BRUJUCDGGLMDDJ-ZDUSSCGKSA-N 1 2 339.399 2.677 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)no1 ZINC000036686115 213109707 /nfs/dbraw/zinc/10/97/07/213109707.db2.gz BRUJUCDGGLMDDJ-ZDUSSCGKSA-N 1 2 339.399 2.677 40 0 EFABLO CC(C)=CCC[C@H](C)CC[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000193234846 535364789 /nfs/dbraw/zinc/36/47/89/535364789.db2.gz QELFZLRTMAEYKL-ZWKOTPCHSA-N 1 2 342.549 2.564 40 0 EFABLO Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072240510 216079412 /nfs/dbraw/zinc/07/94/12/216079412.db2.gz AMOOPHMWGXERNA-UHFFFAOYSA-N 1 2 345.418 2.708 40 0 EFABLO Fc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCOCC3)n2)c(F)c1 ZINC000072322016 216150211 /nfs/dbraw/zinc/15/02/11/216150211.db2.gz YYQXJVGWMGFXTK-KRWDZBQOSA-N 1 2 349.381 2.907 40 0 biogenic,in-vitro EFABLO Fc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCOCC3)n2)c(F)c1 ZINC000072322016 216150214 /nfs/dbraw/zinc/15/02/14/216150214.db2.gz YYQXJVGWMGFXTK-KRWDZBQOSA-N 1 2 349.381 2.907 40 0 biogenic,in-vitro EFABLO CCN(CC)C(=O)CN1c2cc(Cl)ccc2C2=[NH+]CCCN2C1=O ZINC000072335731 216157015 /nfs/dbraw/zinc/15/70/15/216157015.db2.gz PPUBIYXUEDSRNY-UHFFFAOYSA-N 1 2 348.834 2.601 40 0 EFABLO Cc1cc(C[N@@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)oc1C ZINC000072336832 216157943 /nfs/dbraw/zinc/15/79/43/216157943.db2.gz MNFBWWDHEOFJPW-UHFFFAOYSA-N 1 2 336.395 2.600 40 0 EFABLO Cc1cc(C[N@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)oc1C ZINC000072336832 216157948 /nfs/dbraw/zinc/15/79/48/216157948.db2.gz MNFBWWDHEOFJPW-UHFFFAOYSA-N 1 2 336.395 2.600 40 0 EFABLO O=C(C1CCCC1)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000072350665 216162929 /nfs/dbraw/zinc/16/29/29/216162929.db2.gz WJVMFVFVHURYHL-UHFFFAOYSA-N 1 2 325.416 2.559 40 0 EFABLO C[C@@H](CCO)[NH+]1CCC(c2csc(Nc3ncccn3)n2)CC1 ZINC000072363697 216169724 /nfs/dbraw/zinc/16/97/24/216169724.db2.gz NRDZIPSYWWVGIH-LBPRGKRZSA-N 1 2 333.461 2.627 40 0 EFABLO Cc1cc(C(=O)NCc2ccc(F)cc2)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000072365920 216172182 /nfs/dbraw/zinc/17/21/82/216172182.db2.gz AOXOBVODCOEJDA-INIZCTEOSA-N 1 2 328.391 2.621 40 0 EFABLO Cc1cc(C(=O)NCc2ccc(F)cc2)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072365920 216172184 /nfs/dbraw/zinc/17/21/84/216172184.db2.gz AOXOBVODCOEJDA-INIZCTEOSA-N 1 2 328.391 2.621 40 0 EFABLO Cc1nc(NC2CCCC2)cc([C@H]2CCN2Cc2ccnn2C)[nH+]1 ZINC000072387504 216187334 /nfs/dbraw/zinc/18/73/34/216187334.db2.gz QETXEKGCJUDFDJ-QGZVFWFLSA-N 1 2 326.448 2.820 40 0 EFABLO O=C(CCOc1ccccc1F)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130243988 223136163 /nfs/dbraw/zinc/13/61/63/223136163.db2.gz WTRDUZSBHBSSBY-HNNXBMFYSA-N 1 2 343.402 2.775 40 0 EFABLO CC(C)([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1nccs1 ZINC000072662379 216290501 /nfs/dbraw/zinc/29/05/01/216290501.db2.gz SRPGHMLVJWFEPL-SNVBAGLBSA-N 1 2 335.395 2.769 40 0 EFABLO Cc1[nH]c2ccc(C(=O)NCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2c1C ZINC000023111004 212347712 /nfs/dbraw/zinc/34/77/12/212347712.db2.gz WEQHZSZXPKYMNX-STQMWFEESA-N 1 2 329.444 2.624 40 0 EFABLO C[C@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@H+]1CC1CCCCC1 ZINC000253592616 291327563 /nfs/dbraw/zinc/32/75/63/291327563.db2.gz XIAYFWDSGBIKQQ-HNNXBMFYSA-N 1 2 328.460 2.852 40 0 EFABLO C[C@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@@H+]1CC1CCCCC1 ZINC000253592616 291327564 /nfs/dbraw/zinc/32/75/64/291327564.db2.gz XIAYFWDSGBIKQQ-HNNXBMFYSA-N 1 2 328.460 2.852 40 0 EFABLO Cc1ccc(C)c([C@@H](O)CN2CC[NH+](Cc3ncccc3C)CC2)c1 ZINC000022887357 212331522 /nfs/dbraw/zinc/33/15/22/212331522.db2.gz VMIYHELNDTYZIL-NRFANRHFSA-N 1 2 339.483 2.858 40 0 EFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H]1c1cncc(C)n1 ZINC000257341175 240312944 /nfs/dbraw/zinc/31/29/44/240312944.db2.gz ZJCVAXMDKQUXLP-MRXNPFEDSA-N 1 2 335.411 2.647 40 0 EFABLO CN([C@@H]1CCCN(c2cccc[nH+]2)C1)S(=O)(=O)Cc1ccccc1 ZINC000257341799 240313875 /nfs/dbraw/zinc/31/38/75/240313875.db2.gz ZMALUIDIGDQXEY-QGZVFWFLSA-N 1 2 345.468 2.512 40 0 EFABLO Nc1cc(-c2cncnc2[C@@H]2CCN(C(=O)c3ccccc3)C2)cc[nH+]1 ZINC000257339348 240314179 /nfs/dbraw/zinc/31/41/79/240314179.db2.gz ZBIIKDHMPYFFPG-MRXNPFEDSA-N 1 2 345.406 2.751 40 0 EFABLO CC[NH+]1CCN(C(=O)c2sc(N(C)c3ccccc3)nc2C)CC1 ZINC000022245470 212285234 /nfs/dbraw/zinc/28/52/34/212285234.db2.gz HGWBXKWSWVMTAD-UHFFFAOYSA-N 1 2 344.484 2.997 40 0 EFABLO CCS(=O)(=O)c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000195576148 241023065 /nfs/dbraw/zinc/02/30/65/241023065.db2.gz IMPHKGPDDJVZPO-OAHLLOKOSA-N 1 2 345.468 2.814 40 0 EFABLO CCCCN1CNC(Nc2nc(C)c3cccc(OCC)c3n2)=[NH+]C1 ZINC000020634391 212158229 /nfs/dbraw/zinc/15/82/29/212158229.db2.gz GBUOLVILSARBBW-UHFFFAOYSA-N 1 2 342.447 2.725 40 0 EFABLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncnn3C(C)C)ccc2NC1=O ZINC000253430605 243983012 /nfs/dbraw/zinc/98/30/12/243983012.db2.gz FLELBLJFYXUVBT-DOMZBBRYSA-N 1 2 343.431 2.819 40 0 EFABLO CC(C)c1noc([C@@H]2C[C@H](NC(=O)NC3CCCCC3)C[N@@H+]2C)n1 ZINC000020464306 212135151 /nfs/dbraw/zinc/13/51/51/212135151.db2.gz FJNJHTYUGGNKDA-KBPBESRZSA-N 1 2 335.452 2.570 40 0 biogenic,in-vitro EFABLO CC(C)c1noc([C@@H]2C[C@H](NC(=O)NC3CCCCC3)C[N@H+]2C)n1 ZINC000020464306 212135155 /nfs/dbraw/zinc/13/51/55/212135155.db2.gz FJNJHTYUGGNKDA-KBPBESRZSA-N 1 2 335.452 2.570 40 0 biogenic,in-vitro EFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc(C)nc4onc(C)c43)C2)[nH+]1 ZINC000257199630 244114395 /nfs/dbraw/zinc/11/43/95/244114395.db2.gz AAEYIQQGPLXURN-CYBMUJFWSA-N 1 2 339.399 2.511 40 0 EFABLO Cn1c[nH+]cc1-c1cccc(CC2CCN(c3ccncn3)CC2)n1 ZINC000257200628 244118515 /nfs/dbraw/zinc/11/85/15/244118515.db2.gz AEDVIFFNULTODH-UHFFFAOYSA-N 1 2 334.427 2.731 40 0 EFABLO CCCn1ccnc1C[NH+]1CC2(C1)CO[C@@H](Cc1cccnc1)C2 ZINC000257201320 244119835 /nfs/dbraw/zinc/11/98/35/244119835.db2.gz AHDSAVSHKHPKGO-KRWDZBQOSA-N 1 2 326.444 2.522 40 0 EFABLO CN(C(=O)Cc1ccccc1F)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257203538 244126116 /nfs/dbraw/zinc/12/61/16/244126116.db2.gz AQMUTXLNHPFEAS-INIZCTEOSA-N 1 2 327.403 2.891 40 0 EFABLO c1ccc2c(c1)C=C(C[N@@H+]1CCO[C@H](CCc3ccncn3)C1)CO2 ZINC000257211371 244153203 /nfs/dbraw/zinc/15/32/03/244153203.db2.gz BYPQTPXSMGFKQH-LJQANCHMSA-N 1 2 337.423 2.586 40 0 EFABLO c1ccc2c(c1)C=C(C[N@H+]1CCO[C@H](CCc3ccncn3)C1)CO2 ZINC000257211371 244153211 /nfs/dbraw/zinc/15/32/11/244153211.db2.gz BYPQTPXSMGFKQH-LJQANCHMSA-N 1 2 337.423 2.586 40 0 EFABLO CCCc1ncc(C[N@@H+]2CCCC[C@H]2c2ccnc(NC)n2)cn1 ZINC000257330169 284123776 /nfs/dbraw/zinc/12/37/76/284123776.db2.gz XNEDIFZZUUQWTM-INIZCTEOSA-N 1 2 326.448 2.988 40 0 EFABLO CCCc1ncc(C[N@H+]2CCCC[C@H]2c2ccnc(NC)n2)cn1 ZINC000257330169 284123779 /nfs/dbraw/zinc/12/37/79/284123779.db2.gz XNEDIFZZUUQWTM-INIZCTEOSA-N 1 2 326.448 2.988 40 0 EFABLO C[N@@H+]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 ZINC000257215254 244164038 /nfs/dbraw/zinc/16/40/38/244164038.db2.gz CPIAWCAOAUYBIT-LJQANCHMSA-N 1 2 344.480 2.579 40 0 EFABLO C[N@H+]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 ZINC000257215254 244164046 /nfs/dbraw/zinc/16/40/46/244164046.db2.gz CPIAWCAOAUYBIT-LJQANCHMSA-N 1 2 344.480 2.579 40 0 EFABLO C[C@]12CC[N@H+](Cc3ncc[nH]3)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257221425 244186362 /nfs/dbraw/zinc/18/63/62/244186362.db2.gz DOYWQTVLUAOMOT-LPHOPBHVSA-N 1 2 342.418 2.704 40 0 EFABLO C[C@]12CC[N@@H+](Cc3ncc[nH]3)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257221425 244186365 /nfs/dbraw/zinc/18/63/65/244186365.db2.gz DOYWQTVLUAOMOT-LPHOPBHVSA-N 1 2 342.418 2.704 40 0 EFABLO COc1cccc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000257224135 244194328 /nfs/dbraw/zinc/19/43/28/244194328.db2.gz FALYCTFOGCJZMN-MRXNPFEDSA-N 1 2 325.412 2.831 40 0 EFABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)Nc3ccccc3)C2)nc[nH+]1 ZINC000257224649 244195047 /nfs/dbraw/zinc/19/50/47/244195047.db2.gz FCSQAIGLSOLPEF-LJQANCHMSA-N 1 2 339.443 2.788 40 0 EFABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)Nc3ccccc3)C2)[nH+]cn1 ZINC000257224649 244195051 /nfs/dbraw/zinc/19/50/51/244195051.db2.gz FCSQAIGLSOLPEF-LJQANCHMSA-N 1 2 339.443 2.788 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)ccn1 ZINC000257226093 244202304 /nfs/dbraw/zinc/20/23/04/244202304.db2.gz FJDIKAMWIUYVNC-INIZCTEOSA-N 1 2 327.432 2.506 40 0 EFABLO Cc1[nH+]c(C2(C)CCN(C(=O)c3cncnc3)CC2)c2sccn12 ZINC000257226879 244204084 /nfs/dbraw/zinc/20/40/84/244204084.db2.gz FMOCPYWQYMJPLO-UHFFFAOYSA-N 1 2 341.440 2.688 40 0 EFABLO Cc1cc(C(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)c(=O)[nH]c1C ZINC000257220170 244182410 /nfs/dbraw/zinc/18/24/10/244182410.db2.gz DJVWWQIGFPPPMG-MRXNPFEDSA-N 1 2 340.427 2.842 40 0 EFABLO Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257242995 244247844 /nfs/dbraw/zinc/24/78/44/244247844.db2.gz IFCYJFLQUKCBEL-QGZVFWFLSA-N 1 2 341.459 2.784 40 0 EFABLO CCCn1cc[nH+]c1CN1CCN(C(C)=O)C[C@@H]1c1ccccc1 ZINC000257245426 244255565 /nfs/dbraw/zinc/25/55/65/244255565.db2.gz IPKUZGNPCCSOKK-GOSISDBHSA-N 1 2 326.444 2.699 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCN3CCc4ccccc43)C2)[nH+]1 ZINC000257239686 244238067 /nfs/dbraw/zinc/23/80/67/244238067.db2.gz HQIVBNFFVVFJHN-QGZVFWFLSA-N 1 2 338.455 2.877 40 0 EFABLO O=S(=O)(Cc1ccc(F)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020109163 212102023 /nfs/dbraw/zinc/10/20/23/212102023.db2.gz OUBLVAXDZWQUGR-UHFFFAOYSA-N 1 2 345.399 2.631 40 0 EFABLO Cc1nccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257247634 244261441 /nfs/dbraw/zinc/26/14/41/244261441.db2.gz IZWDZAPJPQQIGB-OAHLLOKOSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1nccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257247634 244261447 /nfs/dbraw/zinc/26/14/47/244261447.db2.gz IZWDZAPJPQQIGB-OAHLLOKOSA-N 1 2 341.440 2.810 40 0 EFABLO COc1ccccc1[C@H]1C[N@H+](Cc2cncs2)CCN1C(C)=O ZINC000257248451 244262736 /nfs/dbraw/zinc/26/27/36/244262736.db2.gz JDSVRTFBDQLBBD-MRXNPFEDSA-N 1 2 331.441 2.557 40 0 EFABLO COc1ccccc1[C@H]1C[N@@H+](Cc2cncs2)CCN1C(C)=O ZINC000257248451 244262740 /nfs/dbraw/zinc/26/27/40/244262740.db2.gz JDSVRTFBDQLBBD-MRXNPFEDSA-N 1 2 331.441 2.557 40 0 EFABLO Nc1nccnc1[C@H]1C[N@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257258007 244288702 /nfs/dbraw/zinc/28/87/02/244288702.db2.gz KRZZXROQBVGOFJ-CQSZACIVSA-N 1 2 326.425 2.847 40 0 EFABLO Nc1nccnc1[C@H]1C[N@@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257258007 244288707 /nfs/dbraw/zinc/28/87/07/244288707.db2.gz KRZZXROQBVGOFJ-CQSZACIVSA-N 1 2 326.425 2.847 40 0 EFABLO Cc1cc(N2CC[C@H](Cc3cccc(-c4cncn4C)n3)C2)nc[nH+]1 ZINC000257266876 244364216 /nfs/dbraw/zinc/36/42/16/244364216.db2.gz MEYFMCVSCRTOSX-OAHLLOKOSA-N 1 2 334.427 2.650 40 0 EFABLO Cc1ccnc([C@H]2C[N@H+](Cc3ccccc3N3CCCC3)CCO2)n1 ZINC000257269555 244373747 /nfs/dbraw/zinc/37/37/47/244373747.db2.gz MQLSZFDSLYDFED-LJQANCHMSA-N 1 2 338.455 2.959 40 0 EFABLO Cc1ccnc([C@H]2C[N@@H+](Cc3ccccc3N3CCCC3)CCO2)n1 ZINC000257269555 244373755 /nfs/dbraw/zinc/37/37/55/244373755.db2.gz MQLSZFDSLYDFED-LJQANCHMSA-N 1 2 338.455 2.959 40 0 EFABLO CCCn1cc[nH+]c1CN1CCN(C(C)=O)[C@@H](c2ccccc2)C1 ZINC000257261710 244351436 /nfs/dbraw/zinc/35/14/36/244351436.db2.gz LIMZLTGILBFTBZ-GOSISDBHSA-N 1 2 326.444 2.699 40 0 EFABLO Cc1c[nH]nc1[C@@H]1CCCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 ZINC000257263887 244354936 /nfs/dbraw/zinc/35/49/36/244354936.db2.gz LRWIOKRYRBBVGD-OAHLLOKOSA-N 1 2 337.427 2.782 40 0 EFABLO Cc1c[nH]nc1[C@H]1CCCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 ZINC000257263886 244356228 /nfs/dbraw/zinc/35/62/28/244356228.db2.gz LRWIOKRYRBBVGD-HNNXBMFYSA-N 1 2 337.427 2.782 40 0 EFABLO CC(C)c1ccc(C(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c(=O)[nH]1 ZINC000257272454 244383136 /nfs/dbraw/zinc/38/31/36/244383136.db2.gz NCLYROHEIRKCFA-CQSZACIVSA-N 1 2 340.427 2.704 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(c2cnccn2)CC1 ZINC000257274946 244388803 /nfs/dbraw/zinc/38/88/03/244388803.db2.gz NNHSCOUWLBTGQT-UHFFFAOYSA-N 1 2 335.411 2.541 40 0 EFABLO CNC(=O)C[N@@H+]1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000257274517 244389341 /nfs/dbraw/zinc/38/93/41/244389341.db2.gz NLJZKBRYSVWCJX-HNNXBMFYSA-N 1 2 346.818 2.805 40 0 EFABLO CNC(=O)C[N@H+]1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000257274517 244389344 /nfs/dbraw/zinc/38/93/44/244389344.db2.gz NLJZKBRYSVWCJX-HNNXBMFYSA-N 1 2 346.818 2.805 40 0 EFABLO Cc1nn(C)c2nc([C@@]3(C)CCCN(c4cc[nH+]c(C)n4)C3)ccc12 ZINC000257276293 244394048 /nfs/dbraw/zinc/39/40/48/244394048.db2.gz NTCVBWVCJDCLHX-IBGZPJMESA-N 1 2 336.443 2.933 40 0 EFABLO Fc1ccc(-n2cc(C[NH+]3CCN(c4nccs4)CC3)cn2)cc1 ZINC000019656796 212052330 /nfs/dbraw/zinc/05/23/30/212052330.db2.gz VPGPNBFSTVSBDI-UHFFFAOYSA-N 1 2 343.431 2.790 40 0 EFABLO Cc1cc(C)n([C@@H](C)CC(=O)NCc2ccccc2-n2cc[nH+]c2)n1 ZINC000019573085 212046103 /nfs/dbraw/zinc/04/61/03/212046103.db2.gz STQOWCSZIIIDNO-INIZCTEOSA-N 1 2 337.427 2.953 40 0 EFABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1coc2c1ccc(C)c2C ZINC000019500389 212034059 /nfs/dbraw/zinc/03/40/59/212034059.db2.gz VVXIPWHVFAGPNO-KRWDZBQOSA-N 1 2 344.455 2.819 40 0 EFABLO CC(C)c1[nH+]c2cc(NC(=O)C(C)(C)n3cncn3)ccc2n1C ZINC000019453803 212028419 /nfs/dbraw/zinc/02/84/19/212028419.db2.gz AUMOFJUITWZBRU-UHFFFAOYSA-N 1 2 326.404 2.662 40 0 EFABLO CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000078230809 217031510 /nfs/dbraw/zinc/03/15/10/217031510.db2.gz DDDBXTZOYKOIMC-UHFFFAOYSA-N 1 2 347.440 2.673 40 0 EFABLO Cn1ccnc1CN(CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000019291482 212012052 /nfs/dbraw/zinc/01/20/52/212012052.db2.gz GCHNGJMRDHWPDI-UHFFFAOYSA-N 1 2 327.407 2.848 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccc(F)cc1 ZINC000019291201 212012137 /nfs/dbraw/zinc/01/21/37/212012137.db2.gz UPDNREKEGSXQEY-UOJCXKCYSA-N 1 2 325.387 2.977 40 0 EFABLO O=C(NCc1ccco1)[C@@H]1CCCN1c1cc(C(F)(F)F)cc[nH+]1 ZINC000134899146 223533290 /nfs/dbraw/zinc/53/32/90/223533290.db2.gz YQAIJBAZEIYXRF-ZDUSSCGKSA-N 1 2 339.317 2.979 40 0 EFABLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000078403009 217049029 /nfs/dbraw/zinc/04/90/29/217049029.db2.gz IIQLWDXAKOKBSD-QAPCUYQASA-N 1 2 335.411 2.755 40 0 EFABLO Cc1cnn(CCC(=O)N2CC[NH+]([C@@H](C)c3ccccc3F)CC2)c1 ZINC000078915110 217147063 /nfs/dbraw/zinc/14/70/63/217147063.db2.gz IVBMPECMVABAJY-INIZCTEOSA-N 1 2 344.434 2.626 40 0 EFABLO Cc1cc(C)n(-c2cncc(NCCc3cn4ccccc4[nH+]3)n2)n1 ZINC000078979674 217162383 /nfs/dbraw/zinc/16/23/83/217162383.db2.gz CTEOZVFBLDOHGE-UHFFFAOYSA-N 1 2 333.399 2.581 40 0 EFABLO COc1cc(F)c([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccccc2)cc1OC ZINC000079311882 217207141 /nfs/dbraw/zinc/20/71/41/217207141.db2.gz ZPTRMFSATRSJMS-PIGZYNQJSA-N 1 2 332.375 2.720 40 0 EFABLO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439392 217224584 /nfs/dbraw/zinc/22/45/84/217224584.db2.gz ZMWBGHWSLZJFNV-ZDUSSCGKSA-N 1 2 347.463 2.792 40 0 EFABLO CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439392 217224586 /nfs/dbraw/zinc/22/45/86/217224586.db2.gz ZMWBGHWSLZJFNV-ZDUSSCGKSA-N 1 2 347.463 2.792 40 0 EFABLO CCN(CC)c1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nc[nH+]1 ZINC000079440065 217224870 /nfs/dbraw/zinc/22/48/70/217224870.db2.gz KWPUVEIHGVCQNG-CQSZACIVSA-N 1 2 349.479 2.768 40 0 EFABLO CCN(CC)c1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)[nH+]cn1 ZINC000079440065 217224873 /nfs/dbraw/zinc/22/48/73/217224873.db2.gz KWPUVEIHGVCQNG-CQSZACIVSA-N 1 2 349.479 2.768 40 0 EFABLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439326 217224968 /nfs/dbraw/zinc/22/49/68/217224968.db2.gz JQTFQIXIMFJILI-CYBMUJFWSA-N 1 2 333.436 2.544 40 0 EFABLO CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439326 217224971 /nfs/dbraw/zinc/22/49/71/217224971.db2.gz JQTFQIXIMFJILI-CYBMUJFWSA-N 1 2 333.436 2.544 40 0 EFABLO CCN(CC)c1cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH+]cn1 ZINC000079440192 217225330 /nfs/dbraw/zinc/22/53/30/217225330.db2.gz UIBPYNFVGCMRIQ-CYBMUJFWSA-N 1 2 335.452 2.744 40 0 EFABLO CCN(CC)c1cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc[nH+]1 ZINC000079440192 217225332 /nfs/dbraw/zinc/22/53/32/217225332.db2.gz UIBPYNFVGCMRIQ-CYBMUJFWSA-N 1 2 335.452 2.744 40 0 EFABLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1SCCc2ccccc21 ZINC000079489258 217232964 /nfs/dbraw/zinc/23/29/64/217232964.db2.gz JYXXAZURTIPXAV-SFHVURJKSA-N 1 2 341.480 2.909 40 0 EFABLO C[C@H](CNC(=O)Nc1ccc2nc(C3CC3)oc2c1)[NH+]1CCOCC1 ZINC000079852998 217258273 /nfs/dbraw/zinc/25/82/73/217258273.db2.gz MSVYLMFOIGEUQN-GFCCVEGCSA-N 1 2 344.415 2.547 40 0 EFABLO Cc1ccc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)cc1 ZINC000012531325 211399907 /nfs/dbraw/zinc/39/99/07/211399907.db2.gz JHNRWNNGJQOETQ-KRWDZBQOSA-N 1 2 341.436 2.796 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NC2CCCC2)C1 ZINC000012116416 211295257 /nfs/dbraw/zinc/29/52/57/211295257.db2.gz ZCQDGUXPUSJGTR-CQSZACIVSA-N 1 2 326.444 2.849 40 0 EFABLO Cc1csc([C@H](Cc2ccsc2)NC(=O)Cn2cc[nH+]c2)n1 ZINC000012087889 211290101 /nfs/dbraw/zinc/29/01/01/211290101.db2.gz RPBMWLQFVSICCG-ZDUSSCGKSA-N 1 2 332.454 2.810 40 0 EFABLO Cc1ccc2[nH+]c(-c3ccc4c(c3)CCN4S(C)(=O)=O)cn2c1 ZINC000012088205 211289570 /nfs/dbraw/zinc/28/95/70/211289570.db2.gz VQFGGYHURXFWMR-UHFFFAOYSA-N 1 2 327.409 2.632 40 0 EFABLO c1coc(-c2nc(NCCCn3cc[nH+]c3)ncc2-c2cnccn2)c1 ZINC000012087658 211288567 /nfs/dbraw/zinc/28/85/67/211288567.db2.gz FRDYCTHCBBTTMG-UHFFFAOYSA-N 1 2 347.382 2.892 40 0 EFABLO Cn1ncc2c1nc[nH+]c2SCC(=O)NC1CCCCCCC1 ZINC000011676416 211234488 /nfs/dbraw/zinc/23/44/88/211234488.db2.gz JCBPHHQBHCDIEO-UHFFFAOYSA-N 1 2 333.461 2.685 40 0 EFABLO C[N@H+](Cc1ccccn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000093331942 218216298 /nfs/dbraw/zinc/21/62/98/218216298.db2.gz WPGLHDMDYXZERW-CQSZACIVSA-N 1 2 334.217 2.503 40 0 EFABLO C[N@@H+](Cc1ccccn1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000093331942 218216300 /nfs/dbraw/zinc/21/63/00/218216300.db2.gz WPGLHDMDYXZERW-CQSZACIVSA-N 1 2 334.217 2.503 40 0 EFABLO COc1ccc(C2([NH2+]Cc3noc(C4CC4)n3)CCOCC2)cc1 ZINC000095394012 218325713 /nfs/dbraw/zinc/32/57/13/218325713.db2.gz LBJZXWKDBMOIOS-UHFFFAOYSA-N 1 2 329.400 2.751 40 0 EFABLO COc1cc(N[C@@H]2CCCN(c3cc(C)[nH+]cn3)C2)cc(OC)c1 ZINC000095413923 218352156 /nfs/dbraw/zinc/35/21/56/218352156.db2.gz XVJAHWRZQKDCRW-CQSZACIVSA-N 1 2 328.416 2.883 40 0 EFABLO Cc1cccc(NC(=O)C2CCN(c3nc(C)[nH+]c(C)c3C)CC2)n1 ZINC000095416484 218354847 /nfs/dbraw/zinc/35/48/47/218354847.db2.gz IZIGTVXDERRKGF-UHFFFAOYSA-N 1 2 339.443 2.960 40 0 EFABLO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000095429412 218372001 /nfs/dbraw/zinc/37/20/01/218372001.db2.gz GDRIPAHRHRTJEG-QGZVFWFLSA-N 1 2 339.439 2.502 40 0 EFABLO Cc1nccc(C(=O)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)n1 ZINC000096425995 218795490 /nfs/dbraw/zinc/79/54/90/218795490.db2.gz NMPVYNYPTMAIGC-CYBMUJFWSA-N 1 2 344.846 2.957 40 0 EFABLO O=C(NCCCCn1cc[nH+]c1)c1c(F)cccc1Br ZINC000096454343 218838614 /nfs/dbraw/zinc/83/86/14/218838614.db2.gz XMKHHGZVJHGHSD-UHFFFAOYSA-N 1 2 340.196 2.995 40 0 EFABLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000096455377 218840218 /nfs/dbraw/zinc/84/02/18/218840218.db2.gz XNBHCTLJTXZGNX-GFCCVEGCSA-N 1 2 348.403 2.771 40 0 EFABLO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000096455377 218840222 /nfs/dbraw/zinc/84/02/22/218840222.db2.gz XNBHCTLJTXZGNX-GFCCVEGCSA-N 1 2 348.403 2.771 40 0 EFABLO COc1ccccc1N1CCN(C(=O)Nc2cc[nH+]c(C)c2)CC1 ZINC000119448840 221322399 /nfs/dbraw/zinc/32/23/99/221322399.db2.gz BMELSCUQGOZQIM-UHFFFAOYSA-N 1 2 326.400 2.753 40 0 EFABLO O=c1cc(CO)oc([C@@H](Nc2cccc[nH+]2)c2ccccc2F)c1O ZINC000020218799 258057308 /nfs/dbraw/zinc/05/73/08/258057308.db2.gz IUEFYIIYHYEQMM-INIZCTEOSA-N 1 2 342.326 2.573 40 0 EFABLO COC(=O)C1(NCc2ccc(-n3cc[nH+]c3)nc2)CCCCCC1 ZINC000154826646 533254894 /nfs/dbraw/zinc/25/48/94/533254894.db2.gz WZASDXHLTMOXEU-UHFFFAOYSA-N 1 2 328.416 2.623 40 0 EFABLO COc1c(C)c[nH+]c(CN(C)Cc2nc(=O)c3sccc3[nH]2)c1C ZINC000131797729 533410019 /nfs/dbraw/zinc/41/00/19/533410019.db2.gz RGZJYXCFRWZBIU-UHFFFAOYSA-N 1 2 344.440 2.637 40 0 EFABLO CC(C)c1[nH]ccc1C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000285794025 274076424 /nfs/dbraw/zinc/07/64/24/274076424.db2.gz DHYBOYFZTSTRJV-MRXNPFEDSA-N 1 2 330.432 2.769 40 0 EFABLO CC(C)c1nn(C)cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000253432585 275772583 /nfs/dbraw/zinc/77/25/83/275772583.db2.gz LMIPBUXSBAWGNG-UKRRQHHQSA-N 1 2 330.436 2.855 40 0 EFABLO CCCc1cc(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3OC)C2)no1 ZINC000257224877 276055013 /nfs/dbraw/zinc/05/50/13/276055013.db2.gz FDUYECZPFMLAOL-KRWDZBQOSA-N 1 2 343.427 2.765 40 0 EFABLO CCCc1cc(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3OC)C2)no1 ZINC000257224877 276055015 /nfs/dbraw/zinc/05/50/15/276055015.db2.gz FDUYECZPFMLAOL-KRWDZBQOSA-N 1 2 343.427 2.765 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3oc(C)cc3c2)[nH+]1 ZINC000257296934 301025102 /nfs/dbraw/zinc/02/51/02/301025102.db2.gz RFBXWLCCPFNXIJ-OAHLLOKOSA-N 1 2 325.368 2.986 40 0 EFABLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000331420087 311376029 /nfs/dbraw/zinc/37/60/29/311376029.db2.gz CXSBQEVZBILTNS-AWEZNQCLSA-N 1 2 328.416 2.746 40 0 EFABLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000331420087 311376031 /nfs/dbraw/zinc/37/60/31/311376031.db2.gz CXSBQEVZBILTNS-AWEZNQCLSA-N 1 2 328.416 2.746 40 0 EFABLO CCO[C@H]1C[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C12CCC2 ZINC000332928583 311549112 /nfs/dbraw/zinc/54/91/12/311549112.db2.gz NYXHGALTUCFKBA-GJZGRUSLSA-N 1 2 332.448 2.646 40 0 EFABLO Cn1ncc2c1nc(N1C[C@@H](c3ccccc3)C3(CCC3)C1)[nH+]c2N ZINC000334111096 311701425 /nfs/dbraw/zinc/70/14/25/311701425.db2.gz BWDWRSJSMAEAIE-HNNXBMFYSA-N 1 2 334.427 2.720 40 0 EFABLO Cc1cnc([C@H]([NH2+]Cc2cc(=O)n3ccsc3n2)C2CC2)s1 ZINC000097374414 323214677 /nfs/dbraw/zinc/21/46/77/323214677.db2.gz PWRIIZJXXFFQJL-CYBMUJFWSA-N 1 2 332.454 2.762 40 0 EFABLO O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC1Cc2ccccc2C1 ZINC000097377158 323214726 /nfs/dbraw/zinc/21/47/26/323214726.db2.gz ZYRSMCNMFVZVLF-UHFFFAOYSA-N 1 2 346.434 2.898 40 0 EFABLO CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CCOc2c(F)cccc21 ZINC000195574696 323530118 /nfs/dbraw/zinc/53/01/18/323530118.db2.gz IXJZZSRKBVUBTE-HNNXBMFYSA-N 1 2 344.390 2.610 40 0 EFABLO Cc1[nH+]c2ccccc2n1C1CCN(c2ccc3nncn3n2)CC1 ZINC000296794736 323626017 /nfs/dbraw/zinc/62/60/17/323626017.db2.gz OMRIEHNEKRMSOK-UHFFFAOYSA-N 1 2 333.399 2.624 40 0 EFABLO CC1(C)CN(C(=O)Nc2ccn3cc[nH+]c3c2)C[C@@H](C(F)(F)F)O1 ZINC000296955557 323698526 /nfs/dbraw/zinc/69/85/26/323698526.db2.gz CKQJGZHQKGYRRW-NSHDSACASA-N 1 2 342.321 2.908 40 0 EFABLO CCOC(=O)C[NH+]1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 ZINC000070641657 472500057 /nfs/dbraw/zinc/50/00/57/472500057.db2.gz KFQXQHPGDWXWAN-UHFFFAOYSA-N 1 2 333.363 2.618 40 0 EFABLO COc1cc(-c2nnc([C@H]([NH3+])c3ccccc3)[nH]2)cc(OC)c1OC ZINC000095533390 473221992 /nfs/dbraw/zinc/22/19/92/473221992.db2.gz KBEIOKHNIWQAPA-OAHLLOKOSA-N 1 2 340.383 2.546 40 0 EFABLO [NH3+][C@@H](c1nc(-c2cc(Br)ccc2O)n[nH]1)c1ccccc1 ZINC000095533439 473222531 /nfs/dbraw/zinc/22/25/31/473222531.db2.gz ZDNIXHNGQRHALG-CYBMUJFWSA-N 1 2 345.200 2.988 40 0 EFABLO COc1ccc(-c2nnc([C@H]([NH3+])c3ccc(OC)c(OC)c3)[nH]2)cc1 ZINC000095533798 473222667 /nfs/dbraw/zinc/22/26/67/473222667.db2.gz WRXGRHBPAAUYFJ-MRXNPFEDSA-N 1 2 340.383 2.546 40 0 EFABLO COc1ccc(-c2n[nH]c([C@H]([NH3+])c3ccc(OC)c(OC)c3)n2)cc1 ZINC000095533798 473222672 /nfs/dbraw/zinc/22/26/72/473222672.db2.gz WRXGRHBPAAUYFJ-MRXNPFEDSA-N 1 2 340.383 2.546 40 0 EFABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccncc3)[nH]2)cc1OCC ZINC000095534500 473223079 /nfs/dbraw/zinc/22/30/79/473223079.db2.gz UXTFHTIJUKRIIR-INIZCTEOSA-N 1 2 339.399 2.712 40 0 EFABLO CCOc1ccc([C@H]([NH3+])c2n[nH]c(-c3ccncc3)n2)cc1OCC ZINC000095534500 473223084 /nfs/dbraw/zinc/22/30/84/473223084.db2.gz UXTFHTIJUKRIIR-INIZCTEOSA-N 1 2 339.399 2.712 40 0 EFABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(O)c3)[nH]2)cc1OC ZINC000095534241 473223928 /nfs/dbraw/zinc/22/39/28/473223928.db2.gz RNYXSEXYWXXPQT-MRXNPFEDSA-N 1 2 340.383 2.633 40 0 EFABLO O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000140779927 473248986 /nfs/dbraw/zinc/24/89/86/473248986.db2.gz ZZZQTUNLUMXFPA-LLVKDONJSA-N 1 2 339.317 2.730 40 0 EFABLO O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000140779927 473248990 /nfs/dbraw/zinc/24/89/90/473248990.db2.gz ZZZQTUNLUMXFPA-LLVKDONJSA-N 1 2 339.317 2.730 40 0 EFABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccncc2)cs1 ZINC000096041759 473263423 /nfs/dbraw/zinc/26/34/23/473263423.db2.gz GQVXJBSBDACQCH-RCCFBDPRSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccncc2)cs1 ZINC000096041759 473263430 /nfs/dbraw/zinc/26/34/30/473263430.db2.gz GQVXJBSBDACQCH-RCCFBDPRSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)n1 ZINC000096041864 473263729 /nfs/dbraw/zinc/26/37/29/473263729.db2.gz IPNPAQSWEASNSP-YQVWRLOYSA-N 1 2 325.412 2.596 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)n1 ZINC000096041864 473263733 /nfs/dbraw/zinc/26/37/33/473263733.db2.gz IPNPAQSWEASNSP-YQVWRLOYSA-N 1 2 325.412 2.596 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)n1 ZINC000096042165 473263979 /nfs/dbraw/zinc/26/39/79/473263979.db2.gz KVMFKJQIRLJIJL-SLFFLAALSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)n1 ZINC000096042165 473263985 /nfs/dbraw/zinc/26/39/85/473263985.db2.gz KVMFKJQIRLJIJL-SLFFLAALSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 ZINC000096042288 473264049 /nfs/dbraw/zinc/26/40/49/473264049.db2.gz BGBPITJCTPVPNZ-GRDNDAEWSA-N 1 2 331.441 2.657 40 0 EFABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 ZINC000096042288 473264056 /nfs/dbraw/zinc/26/40/56/473264056.db2.gz BGBPITJCTPVPNZ-GRDNDAEWSA-N 1 2 331.441 2.657 40 0 EFABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(C(=O)c1ccsc1)C2 ZINC000096044913 473264648 /nfs/dbraw/zinc/26/46/48/473264648.db2.gz AQQQJLUHYGUKMW-CQSZACIVSA-N 1 2 331.441 2.648 40 0 EFABLO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1ccoc1 ZINC000096044530 473265115 /nfs/dbraw/zinc/26/51/15/473265115.db2.gz RWUQHPKEELVALM-GOSISDBHSA-N 1 2 345.443 2.649 40 0 EFABLO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1ccoc1 ZINC000096044530 473265120 /nfs/dbraw/zinc/26/51/20/473265120.db2.gz RWUQHPKEELVALM-GOSISDBHSA-N 1 2 345.443 2.649 40 0 EFABLO COC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1ccco1 ZINC000096044529 473265450 /nfs/dbraw/zinc/26/54/50/473265450.db2.gz PUDOANOVJPEFGT-SFHVURJKSA-N 1 2 345.443 2.649 40 0 EFABLO COC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1ccco1 ZINC000096044529 473265455 /nfs/dbraw/zinc/26/54/55/473265455.db2.gz PUDOANOVJPEFGT-SFHVURJKSA-N 1 2 345.443 2.649 40 0 EFABLO Cc1nc(C[N@@H+]2C[C@@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)cs1 ZINC000096042540 473265832 /nfs/dbraw/zinc/26/58/32/473265832.db2.gz LZYHZXMKPSWTSF-KURKYZTESA-N 1 2 345.468 2.795 40 0 EFABLO Cc1nc(C[N@H+]2C[C@@H](OCc3ccccn3)[C@H]3OCCC[C@H]32)cs1 ZINC000096042540 473265837 /nfs/dbraw/zinc/26/58/37/473265837.db2.gz LZYHZXMKPSWTSF-KURKYZTESA-N 1 2 345.468 2.795 40 0 EFABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(C(=O)Cc1ccsc1)C2 ZINC000096044934 473266968 /nfs/dbraw/zinc/26/69/68/473266968.db2.gz OBAPHMDIRYGCTA-HNNXBMFYSA-N 1 2 345.468 2.577 40 0 EFABLO CCn1cc2c(n1)C[N@@H+](Cc1cccnc1)C[C@H]2COCC1CC1 ZINC000096045231 473267836 /nfs/dbraw/zinc/26/78/36/473267836.db2.gz OHWISKFFEWFGGG-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO CCn1cc2c(n1)C[N@H+](Cc1cccnc1)C[C@H]2COCC1CC1 ZINC000096045231 473267842 /nfs/dbraw/zinc/26/78/42/473267842.db2.gz OHWISKFFEWFGGG-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3[C@@H](COCC3CC3)C2)c(C)[nH]1 ZINC000096044947 473267931 /nfs/dbraw/zinc/26/79/31/473267931.db2.gz IUCXRUHAYLAGAK-OAHLLOKOSA-N 1 2 342.443 2.531 40 0 EFABLO O=C(NCc1[nH+]ccn1CCCc1ccccc1)[C@@H]1CCCOC1 ZINC000081932437 473273098 /nfs/dbraw/zinc/27/30/98/473273098.db2.gz DGGVJFONHYDWEZ-QGZVFWFLSA-N 1 2 327.428 2.559 40 0 EFABLO c1coc(C[N@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)c1 ZINC000096059135 473282656 /nfs/dbraw/zinc/28/26/56/473282656.db2.gz GHUTXFUNDQZHME-KRWDZBQOSA-N 1 2 338.411 2.720 40 0 EFABLO c1coc(C[N@@H+]2Cc3nccn3C[C@@H](COCc3cccnc3)C2)c1 ZINC000096059135 473282660 /nfs/dbraw/zinc/28/26/60/473282660.db2.gz GHUTXFUNDQZHME-KRWDZBQOSA-N 1 2 338.411 2.720 40 0 EFABLO c1coc(CN2Cc3[nH+]ccn3C[C@@H](COCc3cccnc3)C2)c1 ZINC000096059135 473282670 /nfs/dbraw/zinc/28/26/70/473282670.db2.gz GHUTXFUNDQZHME-KRWDZBQOSA-N 1 2 338.411 2.720 40 0 EFABLO CCOC[C@@H]1CN(C(=O)c2ccco2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060328 473283845 /nfs/dbraw/zinc/28/38/45/473283845.db2.gz LTJKCBCELAJWAH-AWEZNQCLSA-N 1 2 329.400 2.662 40 0 EFABLO Cn1nnc2c1[C@@H](COCc1ccccc1)C[N@H+](Cc1ccncc1)C2 ZINC000096060814 473285721 /nfs/dbraw/zinc/28/57/21/473285721.db2.gz JQRIEICBSZDFCN-GOSISDBHSA-N 1 2 349.438 2.526 40 0 EFABLO Cn1nnc2c1[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccncc1)C2 ZINC000096060814 473285729 /nfs/dbraw/zinc/28/57/29/473285729.db2.gz JQRIEICBSZDFCN-GOSISDBHSA-N 1 2 349.438 2.526 40 0 EFABLO COc1ccc(CN2CCn3c(Cn4cccn4)c[nH+]c3[C@H]2C)cc1 ZINC000096062046 473285844 /nfs/dbraw/zinc/28/58/44/473285844.db2.gz CKUUDLWAXGZQJS-OAHLLOKOSA-N 1 2 337.427 2.713 40 0 EFABLO Cc1csc(C[N@@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000096065974 473287886 /nfs/dbraw/zinc/28/78/86/473287886.db2.gz KOSVBIAWFCLHPJ-CPUCHLNUSA-N 1 2 331.441 2.657 40 0 EFABLO Cc1csc(C[N@H+]2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)n1 ZINC000096065974 473287892 /nfs/dbraw/zinc/28/78/92/473287892.db2.gz KOSVBIAWFCLHPJ-CPUCHLNUSA-N 1 2 331.441 2.657 40 0 EFABLO Cc1nc(C[N@@H+]2CC[C@]23CCN(C(=O)Cc2cccs2)C3)cs1 ZINC000096076042 473291270 /nfs/dbraw/zinc/29/12/70/473291270.db2.gz ZNRJJVCDZOJOAX-KRWDZBQOSA-N 1 2 347.509 2.933 40 0 EFABLO Cc1nc(C[N@H+]2CC[C@]23CCN(C(=O)Cc2cccs2)C3)cs1 ZINC000096076042 473291279 /nfs/dbraw/zinc/29/12/79/473291279.db2.gz ZNRJJVCDZOJOAX-KRWDZBQOSA-N 1 2 347.509 2.933 40 0 EFABLO c1csc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC000096107329 473300395 /nfs/dbraw/zinc/30/03/95/473300395.db2.gz MQERVVZZTCHKCH-AEFFLSMTSA-N 1 2 345.468 2.878 40 0 EFABLO c1csc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)n1 ZINC000096107329 473300402 /nfs/dbraw/zinc/30/04/02/473300402.db2.gz MQERVVZZTCHKCH-AEFFLSMTSA-N 1 2 345.468 2.878 40 0 EFABLO C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096109785 473304159 /nfs/dbraw/zinc/30/41/59/473304159.db2.gz RIQDNSGJAWJIKX-HNNXBMFYSA-N 1 2 343.475 2.900 40 0 EFABLO C[C@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096109785 473304167 /nfs/dbraw/zinc/30/41/67/473304167.db2.gz RIQDNSGJAWJIKX-HNNXBMFYSA-N 1 2 343.475 2.900 40 0 EFABLO O=[S@@](Cc1[nH+]ccn1CC(F)(F)F)c1nc2ccccc2[nH]1 ZINC000083076109 473319561 /nfs/dbraw/zinc/31/95/61/473319561.db2.gz SSYYYLZUJANNGN-JOCHJYFZSA-N 1 2 328.319 2.630 40 0 EFABLO Cc1cccc(CN2C[C@@H]([N@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]32)n1 ZINC000096185974 473327726 /nfs/dbraw/zinc/32/77/26/473327726.db2.gz ORQWHQHBUVGHJQ-AQNXPRMDSA-N 1 2 341.455 2.847 40 0 EFABLO Cc1cccc(CN2C[C@@H]([N@@H+](C)Cc3ccco3)[C@H]3OCCC[C@H]32)n1 ZINC000096185974 473327731 /nfs/dbraw/zinc/32/77/31/473327731.db2.gz ORQWHQHBUVGHJQ-AQNXPRMDSA-N 1 2 341.455 2.847 40 0 EFABLO Cc1nc(CN2Cc3[nH+]ccn3C[C@H](COCC3CC3)C2)cs1 ZINC000096187884 473329796 /nfs/dbraw/zinc/32/97/96/473329796.db2.gz SKNRQCHKLXWWII-OAHLLOKOSA-N 1 2 332.473 2.707 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](CN3CCCC3=O)C2)s1 ZINC000096188418 473331470 /nfs/dbraw/zinc/33/14/70/473331470.db2.gz SWSGRRQLGGHUTE-OAHLLOKOSA-N 1 2 344.484 2.507 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](CN3CCCC3=O)C2)s1 ZINC000096188418 473331476 /nfs/dbraw/zinc/33/14/76/473331476.db2.gz SWSGRRQLGGHUTE-OAHLLOKOSA-N 1 2 344.484 2.507 40 0 EFABLO CCn1ncc2c1[C@H](COCC1CC1)[N@H+](Cc1ccccn1)CC2 ZINC000096197826 473333910 /nfs/dbraw/zinc/33/39/10/473333910.db2.gz PQBNUTWSAYKBIJ-SFHVURJKSA-N 1 2 326.444 2.824 40 0 EFABLO CCn1ncc2c1[C@H](COCC1CC1)[N@@H+](Cc1ccccn1)CC2 ZINC000096197826 473333914 /nfs/dbraw/zinc/33/39/14/473333914.db2.gz PQBNUTWSAYKBIJ-SFHVURJKSA-N 1 2 326.444 2.824 40 0 EFABLO C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000150173138 473335722 /nfs/dbraw/zinc/33/57/22/473335722.db2.gz FZECBQFAODDFHV-CJNGLKHVSA-N 1 2 343.427 2.823 40 0 EFABLO O=C(c1ccoc1)N1CCN(Cc2cccnc2)c2[nH+]cccc2C1 ZINC000096198944 473335795 /nfs/dbraw/zinc/33/57/95/473335795.db2.gz RPMHUWZHPYKMKS-UHFFFAOYSA-N 1 2 334.379 2.732 40 0 EFABLO c1csc(C[N@H+]2CC[C@@]3(C2)COCCN(Cc2ccsc2)C3)n1 ZINC000096202203 473338119 /nfs/dbraw/zinc/33/81/19/473338119.db2.gz FAJDUCVBCFSHSG-KRWDZBQOSA-N 1 2 349.525 2.929 40 0 EFABLO c1csc(C[N@@H+]2CC[C@@]3(C2)COCCN(Cc2ccsc2)C3)n1 ZINC000096202203 473338127 /nfs/dbraw/zinc/33/81/27/473338127.db2.gz FAJDUCVBCFSHSG-KRWDZBQOSA-N 1 2 349.525 2.929 40 0 EFABLO Cc1nc(C[N@@H+]2CC[C@@]3(C2)COCCN(Cc2ccco2)C3)cs1 ZINC000096202116 473338475 /nfs/dbraw/zinc/33/84/75/473338475.db2.gz YYIRCKGTJBDCJA-SFHVURJKSA-N 1 2 347.484 2.769 40 0 EFABLO Cc1nc(C[N@H+]2CC[C@@]3(C2)COCCN(Cc2ccco2)C3)cs1 ZINC000096202116 473338484 /nfs/dbraw/zinc/33/84/84/473338484.db2.gz YYIRCKGTJBDCJA-SFHVURJKSA-N 1 2 347.484 2.769 40 0 EFABLO O=C(c1ccc(Br)cc1)N1CC[NH+](Cc2ccc[nH]2)CC1 ZINC000190633685 473340584 /nfs/dbraw/zinc/34/05/84/473340584.db2.gz DWQJGPVGZXICQD-UHFFFAOYSA-N 1 2 348.244 2.735 40 0 EFABLO c1csc(C[N@H+]2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)n1 ZINC000096208541 473343996 /nfs/dbraw/zinc/34/39/96/473343996.db2.gz MQERVVZZTCHKCH-WMZOPIPTSA-N 1 2 345.468 2.878 40 0 EFABLO c1csc(C[N@@H+]2CCC[C@]3(C[C@H](OCc4ccccn4)CO3)C2)n1 ZINC000096208541 473344002 /nfs/dbraw/zinc/34/40/02/473344002.db2.gz MQERVVZZTCHKCH-WMZOPIPTSA-N 1 2 345.468 2.878 40 0 EFABLO C[C@H]1c2ncc(COCc3ccncc3)n2CC[N@@H+]1C1CCOCC1 ZINC000096218220 473352483 /nfs/dbraw/zinc/35/24/83/473352483.db2.gz MYLFJHWBWSXOBK-HNNXBMFYSA-N 1 2 342.443 2.551 40 0 EFABLO C[C@H]1c2ncc(COCc3ccncc3)n2CC[N@H+]1C1CCOCC1 ZINC000096218220 473352490 /nfs/dbraw/zinc/35/24/90/473352490.db2.gz MYLFJHWBWSXOBK-HNNXBMFYSA-N 1 2 342.443 2.551 40 0 EFABLO COc1ccc(C[NH+]2CCN(Cc3nnc(C(C)C)o3)CC2)cc1F ZINC000096403338 473379970 /nfs/dbraw/zinc/37/99/70/473379970.db2.gz FTNORHUYWBFVCQ-UHFFFAOYSA-N 1 2 348.422 2.659 40 0 EFABLO C[C@@H](C(=O)NCCc1nc(-c2cccc(Cl)c2)no1)n1cc[nH+]c1 ZINC000096406222 473382868 /nfs/dbraw/zinc/38/28/68/473382868.db2.gz QCJMAWWBOIBUIJ-NSHDSACASA-N 1 2 345.790 2.506 40 0 EFABLO C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1csc(Br)c1 ZINC000096407486 473385976 /nfs/dbraw/zinc/38/59/76/473385976.db2.gz CCUARHJLTCRQTK-VMZHVLLKSA-N 1 2 340.246 2.925 40 0 EFABLO Cc1cc(F)ccc1N1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000096409350 473388405 /nfs/dbraw/zinc/38/84/05/473388405.db2.gz XLFNQTBNMQZNOR-KRWDZBQOSA-N 1 2 344.434 2.896 40 0 EFABLO CCO[C@H](C)c1nc(CC(=O)NCc2cn3ccccc3[nH+]2)cs1 ZINC000096409486 473388431 /nfs/dbraw/zinc/38/84/31/473388431.db2.gz GIRFARQXTOAEGT-GFCCVEGCSA-N 1 2 344.440 2.747 40 0 EFABLO c1ccc(N2CCN(c3ncnc4sc5c(c43)CCC5)CC2)[nH+]c1 ZINC000003334615 471441856 /nfs/dbraw/zinc/44/18/56/471441856.db2.gz PTPKFDVMPYYEOS-UHFFFAOYSA-N 1 2 337.452 2.902 40 0 EFABLO Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000007050258 471587760 /nfs/dbraw/zinc/58/77/60/471587760.db2.gz TZNHWGKPEDSGGR-LLVKDONJSA-N 1 2 346.412 2.517 40 0 EFABLO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(C(N)=O)CC1 ZINC000007388450 471610669 /nfs/dbraw/zinc/61/06/69/471610669.db2.gz GNDBFMLBNZBNKY-SECBINFHSA-N 1 2 344.242 2.518 40 0 EFABLO CCOc1cc(-c2[nH]n3cnc4nncc-4c3[nH+]2)ccc1OC(F)F ZINC000008254321 471674936 /nfs/dbraw/zinc/67/49/36/471674936.db2.gz WSOVQBZPAWPYMT-UHFFFAOYSA-N 1 2 346.297 2.668 40 0 EFABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)NC1CCCCC1 ZINC000012142783 471766710 /nfs/dbraw/zinc/76/67/10/471766710.db2.gz LEZXJQVPRMLAHH-UHFFFAOYSA-N 1 2 340.427 2.528 40 0 EFABLO CCCc1ncc(C[N@@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cn1 ZINC000012242185 471769145 /nfs/dbraw/zinc/76/91/45/471769145.db2.gz JQZFTKFNBARSGJ-MSOLQXFVSA-N 1 2 336.439 2.972 40 0 EFABLO CCCc1ncc(C[N@H+]2C[C@@H]3ON=C(c4ccc(C)cc4)[C@@H]3C2)cn1 ZINC000012242185 471769150 /nfs/dbraw/zinc/76/91/50/471769150.db2.gz JQZFTKFNBARSGJ-MSOLQXFVSA-N 1 2 336.439 2.972 40 0 EFABLO O=c1[nH]ncc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c1Cl ZINC000012547533 471780442 /nfs/dbraw/zinc/78/04/42/471780442.db2.gz FJXWJBMFYSTOOQ-UHFFFAOYSA-N 1 2 329.791 2.684 40 0 EFABLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000012697541 471790841 /nfs/dbraw/zinc/79/08/41/471790841.db2.gz ZLWYFMVBXFRLHG-BRWVUGGUSA-N 1 2 345.487 2.758 40 0 EFABLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000012697541 471790846 /nfs/dbraw/zinc/79/08/46/471790846.db2.gz ZLWYFMVBXFRLHG-BRWVUGGUSA-N 1 2 345.487 2.758 40 0 EFABLO Fc1cccc(CN(CCC[NH+]2CCOCC2)Cc2ccncc2)c1 ZINC000013989965 471847168 /nfs/dbraw/zinc/84/71/68/471847168.db2.gz ALNIBTDFFUTBTP-UHFFFAOYSA-N 1 2 343.446 2.945 40 0 EFABLO Cc1c(C(=O)N2CC[NH+](C)CC2)sc2nc(-c3ccccc3)cn12 ZINC000016740393 471948900 /nfs/dbraw/zinc/94/89/00/471948900.db2.gz JABSURCJEZHLHD-UHFFFAOYSA-N 1 2 340.452 2.759 40 0 EFABLO CCN1C[C@@H](C[N@H+](C)CC(=O)Nc2ccccc2)Oc2ccccc21 ZINC000021672432 472003461 /nfs/dbraw/zinc/00/34/61/472003461.db2.gz XHFKFJLLEIGJSB-QGZVFWFLSA-N 1 2 339.439 2.844 40 0 EFABLO CCN1C[C@@H](C[N@@H+](C)CC(=O)Nc2ccccc2)Oc2ccccc21 ZINC000021672432 472003463 /nfs/dbraw/zinc/00/34/63/472003463.db2.gz XHFKFJLLEIGJSB-QGZVFWFLSA-N 1 2 339.439 2.844 40 0 EFABLO C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCC(O)CC1 ZINC000023993340 472042290 /nfs/dbraw/zinc/04/22/90/472042290.db2.gz MHMDFBWCZRBIMD-GHMZBOCLSA-N 1 2 347.484 2.627 40 0 EFABLO O=C1CNc2nc[nH+]c(NCc3csc(-c4ccccc4)n3)c2N1 ZINC000041121527 472045502 /nfs/dbraw/zinc/04/55/02/472045502.db2.gz BXNQSGNPYPVWSE-UHFFFAOYSA-N 1 2 338.396 2.576 40 0 EFABLO O=C1CNc2[nH+]cnc(NCc3csc(-c4ccccc4)n3)c2N1 ZINC000041121527 472045508 /nfs/dbraw/zinc/04/55/08/472045508.db2.gz BXNQSGNPYPVWSE-UHFFFAOYSA-N 1 2 338.396 2.576 40 0 EFABLO C[N@@H+]1CCc2nc(NC(=O)Cc3c[nH]c4ccccc34)sc2C1 ZINC000024152298 472047981 /nfs/dbraw/zinc/04/79/81/472047981.db2.gz CFDDGHHAHBGDKM-UHFFFAOYSA-N 1 2 326.425 2.794 40 0 EFABLO C[N@H+]1CCc2nc(NC(=O)Cc3c[nH]c4ccccc34)sc2C1 ZINC000024152298 472047989 /nfs/dbraw/zinc/04/79/89/472047989.db2.gz CFDDGHHAHBGDKM-UHFFFAOYSA-N 1 2 326.425 2.794 40 0 EFABLO O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1ccc(-n2ccnc2)nc1 ZINC000025180576 472083767 /nfs/dbraw/zinc/08/37/67/472083767.db2.gz DPQFHEDULWAYHU-UHFFFAOYSA-N 1 2 344.378 2.764 40 0 EFABLO c1nc2sc3c(c2c(SCC[NH+]2CCOCC2)n1)CCCC3 ZINC000026067885 472121854 /nfs/dbraw/zinc/12/18/54/472121854.db2.gz RKWUIFKUSOGHDX-UHFFFAOYSA-N 1 2 335.498 2.994 40 0 EFABLO COc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1SC(F)(F)F ZINC000075616544 472169426 /nfs/dbraw/zinc/16/94/26/472169426.db2.gz AJPJZBWLVJUKDD-UHFFFAOYSA-N 1 2 348.390 2.971 40 0 EFABLO Cc1sc(NC(=O)C[NH+]2CCC(N3CCCC3=O)CC2)c(C)c1C ZINC000075717407 472189199 /nfs/dbraw/zinc/18/91/99/472189199.db2.gz YNKAOBMVQNHIHB-UHFFFAOYSA-N 1 2 349.500 2.699 40 0 EFABLO CC(C)(C)OC(=O)N1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000043220477 472211200 /nfs/dbraw/zinc/21/12/00/472211200.db2.gz QZYHPQDBNFNDGU-HNNXBMFYSA-N 1 2 340.851 2.926 40 0 EFABLO CCONC(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000029871861 472302389 /nfs/dbraw/zinc/30/23/89/472302389.db2.gz VZQPZNFRZKJRDP-UHFFFAOYSA-N 1 2 325.368 2.903 40 0 EFABLO CCOc1ccccc1C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000044448649 472308717 /nfs/dbraw/zinc/30/87/17/472308717.db2.gz ZAQMKAZOSHHDCL-UHFFFAOYSA-N 1 2 343.427 2.648 40 0 EFABLO CC(C)C[C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCCCC1=O ZINC000087275956 472321295 /nfs/dbraw/zinc/32/12/95/472321295.db2.gz UJTOVENJNGHBAJ-HOTGVXAUSA-N 1 2 346.475 2.543 40 0 EFABLO Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CCc4ccccc4C3)cn21 ZINC000069429167 472342414 /nfs/dbraw/zinc/34/24/14/472342414.db2.gz KTTRONRLSBYKQJ-KRWDZBQOSA-N 1 2 334.423 2.999 40 0 EFABLO COc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000044903966 472351050 /nfs/dbraw/zinc/35/10/50/472351050.db2.gz PELMVCAXMAYILN-UHFFFAOYSA-N 1 2 337.379 2.820 40 0 EFABLO O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000088390749 472361233 /nfs/dbraw/zinc/36/12/33/472361233.db2.gz QGNPYAYCHNPFOW-CABCVRRESA-N 1 2 344.419 2.544 40 0 EFABLO COC(=O)C1([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CCCCC1 ZINC000069737498 472411421 /nfs/dbraw/zinc/41/14/21/472411421.db2.gz NSBKLEOQPBCQLH-UHFFFAOYSA-N 1 2 344.455 2.888 40 0 EFABLO CC(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1C ZINC000089444509 472440545 /nfs/dbraw/zinc/44/05/45/472440545.db2.gz DXIAPKPNBFWYRG-MRXNPFEDSA-N 1 2 338.411 2.993 40 0 EFABLO Cc1cccc(Cl)c1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000097095233 472443734 /nfs/dbraw/zinc/44/37/34/472443734.db2.gz ZTJGDGNGETVXDA-AWEZNQCLSA-N 1 2 337.851 2.977 40 0 EFABLO C[C@H](CNC(=O)N1CC[NH+](Cc2ccccn2)CC1)c1cccs1 ZINC000097096605 472444666 /nfs/dbraw/zinc/44/46/66/472444666.db2.gz OIELUMYJMBANKP-OAHLLOKOSA-N 1 2 344.484 2.774 40 0 EFABLO O=C(OCc1ccc(-n2cc[nH+]c2)nc1)c1noc2c1CCCCC2 ZINC000097103254 472447321 /nfs/dbraw/zinc/44/73/21/472447321.db2.gz BWWHKCNKTKNPJD-UHFFFAOYSA-N 1 2 338.367 2.881 40 0 EFABLO NC(=O)c1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000032850918 472473114 /nfs/dbraw/zinc/47/31/14/472473114.db2.gz NACISXAZNLFLTP-QPJJXVBHSA-N 1 2 335.451 2.617 40 0 EFABLO Cc1nc(N(C)C)sc1CN1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000097379107 472495003 /nfs/dbraw/zinc/49/50/03/472495003.db2.gz BSTWADWFLKQCST-HNNXBMFYSA-N 1 2 345.516 2.791 40 0 EFABLO C[C@H]1C(=O)N(Cc2cc[nH+]c(N(C)C)c2)C(=O)N1c1ccc(F)cc1 ZINC000097377182 472495416 /nfs/dbraw/zinc/49/54/16/472495416.db2.gz TWZMJAQVSBQKOT-LBPRGKRZSA-N 1 2 342.374 2.644 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216160 472633689 /nfs/dbraw/zinc/63/36/89/472633689.db2.gz LFWPBWGYOJGBSR-HNNXBMFYSA-N 1 2 333.432 2.990 40 0 EFABLO Cn1cc[nH+]c1-c1cccc(NS(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000078715159 472758731 /nfs/dbraw/zinc/75/87/31/472758731.db2.gz JYXOBVWTSXIYKI-UHFFFAOYSA-N 1 2 348.815 2.936 40 0 EFABLO COc1cc(OC)c(C2=CC[N@H+](Cc3ccno3)CC2)c(OC)c1 ZINC000073172159 472781202 /nfs/dbraw/zinc/78/12/02/472781202.db2.gz SWMPMHOYDMHTMU-UHFFFAOYSA-N 1 2 330.384 2.990 40 0 EFABLO COc1cc(OC)c(C2=CC[N@@H+](Cc3ccno3)CC2)c(OC)c1 ZINC000073172159 472781205 /nfs/dbraw/zinc/78/12/05/472781205.db2.gz SWMPMHOYDMHTMU-UHFFFAOYSA-N 1 2 330.384 2.990 40 0 EFABLO CC1CCN(c2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)cn2)CC1 ZINC000079304568 472846864 /nfs/dbraw/zinc/84/68/64/472846864.db2.gz ZIPFLBBJSDKOLC-IBGZPJMESA-N 1 2 338.455 2.634 40 0 EFABLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C(C)C)nc1 ZINC000134089064 472873132 /nfs/dbraw/zinc/87/31/32/472873132.db2.gz CMHDSKCGRQKKGU-UHFFFAOYSA-N 1 2 340.427 2.997 40 0 EFABLO C[C@@H]1C[N@@H+](CCNC(=O)c2cnc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000065568800 472979499 /nfs/dbraw/zinc/97/94/99/472979499.db2.gz AJYLYNJEQWANHY-OKILXGFUSA-N 1 2 345.468 2.649 40 0 EFABLO C[C@@H]1C[N@H+](CCNC(=O)c2cnc(-c3ccccc3)s2)C[C@H](C)O1 ZINC000065568800 472979506 /nfs/dbraw/zinc/97/95/06/472979506.db2.gz AJYLYNJEQWANHY-OKILXGFUSA-N 1 2 345.468 2.649 40 0 EFABLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000095395143 473195938 /nfs/dbraw/zinc/19/59/38/473195938.db2.gz HXBZVLRCQWAQFI-SJLPKXTDSA-N 1 2 338.455 2.865 40 0 EFABLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC[C@@H]1CCCO1 ZINC000096413898 473392726 /nfs/dbraw/zinc/39/27/26/473392726.db2.gz RWBDOMWZCYCWHS-KRWDZBQOSA-N 1 2 332.444 2.725 40 0 EFABLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)Cc1cccc(O)c1 ZINC000096415642 473394997 /nfs/dbraw/zinc/39/49/97/473394997.db2.gz HCOCJBRYSQACLC-UHFFFAOYSA-N 1 2 340.423 2.714 40 0 EFABLO O=C(CCCn1cc[nH+]c1)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000096421711 473400681 /nfs/dbraw/zinc/40/06/81/473400681.db2.gz BXLSJXWZYMMHMK-AWEZNQCLSA-N 1 2 342.226 2.820 40 0 EFABLO CCc1ccc([C@@H](COC)NC(=O)c2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000096423866 473402588 /nfs/dbraw/zinc/40/25/88/473402588.db2.gz ZOEGHTNFUSCGCM-OAHLLOKOSA-N 1 2 340.383 2.540 40 0 EFABLO C[C@@H](NC(=O)c1cc(C(N)=O)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432049 473410883 /nfs/dbraw/zinc/41/08/83/473410883.db2.gz WUKYPBHPOAUZLL-LLVKDONJSA-N 1 2 340.408 2.524 40 0 EFABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cscn1 ZINC000096432947 473412048 /nfs/dbraw/zinc/41/20/48/473412048.db2.gz YMBKPZZUFHBTKB-UHFFFAOYSA-N 1 2 330.457 2.917 40 0 EFABLO CS[C@@H]1CC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000096439407 473417918 /nfs/dbraw/zinc/41/79/18/473417918.db2.gz ZESMLMCSAHXCHJ-LSDHHAIUSA-N 1 2 330.457 2.956 40 0 EFABLO Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000096441667 473419682 /nfs/dbraw/zinc/41/96/82/473419682.db2.gz ZDLFMXYNSGHYJZ-LBPRGKRZSA-N 1 2 342.871 2.871 40 0 EFABLO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000096441667 473419685 /nfs/dbraw/zinc/41/96/85/473419685.db2.gz ZDLFMXYNSGHYJZ-LBPRGKRZSA-N 1 2 342.871 2.871 40 0 EFABLO C[C@H]1CC[C@@H](CCC(=O)Nc2ccccc2C[NH+]2CCOCC2)O1 ZINC000096441054 473420216 /nfs/dbraw/zinc/42/02/16/473420216.db2.gz OWQNZYHZPMNCEY-RDJZCZTQSA-N 1 2 332.444 2.805 40 0 EFABLO CC(C)c1ccc(-c2ncc(C[N@@H+]3CCO[C@H](C(N)=O)C3)s2)cc1 ZINC000096445687 473423264 /nfs/dbraw/zinc/42/32/64/473423264.db2.gz IYVYOQSAZHJUCK-INIZCTEOSA-N 1 2 345.468 2.620 40 0 EFABLO CC(C)c1ccc(-c2ncc(C[N@H+]3CCO[C@H](C(N)=O)C3)s2)cc1 ZINC000096445687 473423268 /nfs/dbraw/zinc/42/32/68/473423268.db2.gz IYVYOQSAZHJUCK-INIZCTEOSA-N 1 2 345.468 2.620 40 0 EFABLO COc1ccncc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000096446529 473423698 /nfs/dbraw/zinc/42/36/98/473423698.db2.gz OLSGDRIPHZIRTK-MRXNPFEDSA-N 1 2 329.375 2.832 40 0 EFABLO COc1ccncc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000096446529 473423703 /nfs/dbraw/zinc/42/37/03/473423703.db2.gz OLSGDRIPHZIRTK-MRXNPFEDSA-N 1 2 329.375 2.832 40 0 EFABLO O=C(Nc1ncc(Cl)s1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000096449107 473426018 /nfs/dbraw/zinc/42/60/18/473426018.db2.gz OSXUIMYSNUNSGI-LBPRGKRZSA-N 1 2 337.832 2.636 40 0 EFABLO O=C(Nc1ncc(Cl)s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000096449107 473426024 /nfs/dbraw/zinc/42/60/24/473426024.db2.gz OSXUIMYSNUNSGI-LBPRGKRZSA-N 1 2 337.832 2.636 40 0 EFABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)Nc3ccccc3Cl)CC2)S1 ZINC000096448252 473426059 /nfs/dbraw/zinc/42/60/59/473426059.db2.gz PUCGJGRYFQPFMI-NSHDSACASA-N 1 2 338.864 2.981 40 0 EFABLO C[C@@H]1C[NH+]=C(N2CCN(C(=O)Nc3ccccc3Cl)CC2)S1 ZINC000096448251 473426254 /nfs/dbraw/zinc/42/62/54/473426254.db2.gz PUCGJGRYFQPFMI-LLVKDONJSA-N 1 2 338.864 2.981 40 0 EFABLO Cc1noc(C)c1C[NH2+][C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000096455914 473431159 /nfs/dbraw/zinc/43/11/59/473431159.db2.gz BDQWGECZIDMDFL-HNNXBMFYSA-N 1 2 341.333 2.801 40 0 EFABLO CCSc1ccc(Cl)cc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000096460179 473433605 /nfs/dbraw/zinc/43/36/05/473433605.db2.gz PSUYBUQZQBWGAO-LBPRGKRZSA-N 1 2 342.892 2.903 40 0 EFABLO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C1=CCCC1 ZINC000096472365 473437336 /nfs/dbraw/zinc/43/73/36/473437336.db2.gz WMHRDTGVIADYIK-KRWDZBQOSA-N 1 2 328.456 2.846 40 0 EFABLO CN(C)C(=O)N1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000096489722 473445657 /nfs/dbraw/zinc/44/56/57/473445657.db2.gz BBFPZSFTPYTMES-UHFFFAOYSA-N 1 2 336.486 2.671 40 0 EFABLO O=C(c1ccoc1)N1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000096489655 473446824 /nfs/dbraw/zinc/44/68/24/473446824.db2.gz XLFJSEDJYDLZBE-UHFFFAOYSA-N 1 2 336.395 2.628 40 0 EFABLO C[C@H]([NH2+]Cc1nc(-c2cccnc2)no1)c1ccc2c(c1)CCC(=O)N2 ZINC000096491051 473448277 /nfs/dbraw/zinc/44/82/77/473448277.db2.gz JJBCOVIVHDHNKW-LBPRGKRZSA-N 1 2 349.394 2.867 40 0 EFABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC[C@@H]2CCCO2)CC1 ZINC000096503133 473455281 /nfs/dbraw/zinc/45/52/81/473455281.db2.gz OLFWILKKRFOHRG-ZBFHGGJFSA-N 1 2 337.489 2.705 40 0 EFABLO O=C(Nc1ccc(-n2cccn2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000126025817 473481087 /nfs/dbraw/zinc/48/10/87/473481087.db2.gz QVQOPSNCEBIUBV-UHFFFAOYSA-N 1 2 348.410 2.621 40 0 EFABLO C[N@H+](CC(=O)NC1CC1)Cc1cc(Br)c(Cl)s1 ZINC000191188697 473502283 /nfs/dbraw/zinc/50/22/83/473502283.db2.gz VMOWAWUZCWJQGY-UHFFFAOYSA-N 1 2 337.670 2.874 40 0 EFABLO C[N@@H+](CC(=O)NC1CC1)Cc1cc(Br)c(Cl)s1 ZINC000191188697 473502288 /nfs/dbraw/zinc/50/22/88/473502288.db2.gz VMOWAWUZCWJQGY-UHFFFAOYSA-N 1 2 337.670 2.874 40 0 EFABLO Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]1CC(=O)c1cccs1 ZINC000180340462 473856611 /nfs/dbraw/zinc/85/66/11/473856611.db2.gz GBVQVJMCULFNHV-LLVKDONJSA-N 1 2 327.413 2.667 40 0 EFABLO Cc1ccc(CNc2ccccc2C(=O)N2CCC[C@@H](O)C2)c(C)[nH+]1 ZINC000187720902 473909284 /nfs/dbraw/zinc/90/92/84/473909284.db2.gz KQBDAZXCJIXKFO-QGZVFWFLSA-N 1 2 339.439 2.907 40 0 EFABLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cccc(=O)[nH]2)CC1 ZINC000282458994 474072585 /nfs/dbraw/zinc/07/25/85/474072585.db2.gz JZDNYZBLBCDIEM-ZDUSSCGKSA-N 1 2 345.830 2.960 40 0 EFABLO CCOC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000195530242 474090261 /nfs/dbraw/zinc/09/02/61/474090261.db2.gz CRXHSXSIBQCFOW-IUODEOHRSA-N 1 2 334.243 2.764 40 0 EFABLO CCOC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000195530242 474090269 /nfs/dbraw/zinc/09/02/69/474090269.db2.gz CRXHSXSIBQCFOW-IUODEOHRSA-N 1 2 334.243 2.764 40 0 EFABLO CCn1c2ccccc2nc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000195561844 474095808 /nfs/dbraw/zinc/09/58/08/474095808.db2.gz ARIXOINTLREBIP-UHFFFAOYSA-N 1 2 335.455 2.769 40 0 EFABLO Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000195560051 474096414 /nfs/dbraw/zinc/09/64/14/474096414.db2.gz VZPVKZMBTNDROA-GFCCVEGCSA-N 1 2 337.427 2.907 40 0 EFABLO O=C(NCCc1cn2ccccc2[nH+]1)NCCc1ccc(F)c(F)c1 ZINC000188549310 474125397 /nfs/dbraw/zinc/12/53/97/474125397.db2.gz RBBXLJKCUATSEH-UHFFFAOYSA-N 1 2 344.365 2.697 40 0 EFABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccoc1)c1ccccc1 ZINC000247507241 474168463 /nfs/dbraw/zinc/16/84/63/474168463.db2.gz RVPKKXGQVHVCGK-OTWHNJEPSA-N 1 2 340.423 2.689 40 0 EFABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccoc1)c1ccccc1 ZINC000247507241 474168471 /nfs/dbraw/zinc/16/84/71/474168471.db2.gz RVPKKXGQVHVCGK-OTWHNJEPSA-N 1 2 340.423 2.689 40 0 EFABLO Cc1cccc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)c1C ZINC000224141054 474194615 /nfs/dbraw/zinc/19/46/15/474194615.db2.gz XQUAPLMBEQOFLR-UHFFFAOYSA-N 1 2 328.420 2.869 40 0 EFABLO COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[N@H+](C)C2 ZINC000224958166 474201957 /nfs/dbraw/zinc/20/19/57/474201957.db2.gz QCCQXWKYXYJTKO-UHFFFAOYSA-N 1 2 348.399 2.914 40 0 EFABLO COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[N@@H+](C)C2 ZINC000224958166 474201962 /nfs/dbraw/zinc/20/19/62/474201962.db2.gz QCCQXWKYXYJTKO-UHFFFAOYSA-N 1 2 348.399 2.914 40 0 EFABLO CC(=O)NC(C)(C)c1noc(-c2cc(C)ccc2-n2cc[nH+]c2)n1 ZINC000225466679 474214649 /nfs/dbraw/zinc/21/46/49/474214649.db2.gz QHCSDOQPLZXTAY-UHFFFAOYSA-N 1 2 325.372 2.602 40 0 EFABLO Nc1[nH+]cnc(N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1Cl ZINC000225478595 474216315 /nfs/dbraw/zinc/21/63/15/474216315.db2.gz KACWQSYSDGNDPU-CQSZACIVSA-N 1 2 336.798 2.801 40 0 EFABLO Nc1nc[nH+]c(N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1Cl ZINC000225478595 474216321 /nfs/dbraw/zinc/21/63/21/474216321.db2.gz KACWQSYSDGNDPU-CQSZACIVSA-N 1 2 336.798 2.801 40 0 EFABLO CC(C)OC(=O)C[C@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000225486085 474217408 /nfs/dbraw/zinc/21/74/08/474217408.db2.gz VJIWWNGRTVEFAL-OAHLLOKOSA-N 1 2 332.448 2.635 40 0 EFABLO CC(C)OC(=O)C[C@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000225486085 474217413 /nfs/dbraw/zinc/21/74/13/474217413.db2.gz VJIWWNGRTVEFAL-OAHLLOKOSA-N 1 2 332.448 2.635 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CCO3)n1 ZINC000247869744 474219011 /nfs/dbraw/zinc/21/90/11/474219011.db2.gz KLXGPSLHMGOCNJ-LJQANCHMSA-N 1 2 339.439 2.735 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3COCc2ccncc2)n1 ZINC000247886748 474222125 /nfs/dbraw/zinc/22/21/25/474222125.db2.gz UCWZTUIPFJKLRV-GOSISDBHSA-N 1 2 339.439 2.593 40 0 EFABLO Cc1ccc(O[C@H](C)CNC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000225560684 474225483 /nfs/dbraw/zinc/22/54/83/474225483.db2.gz MELRYXVDRZJEBF-CQSZACIVSA-N 1 2 340.414 2.856 40 0 EFABLO Cc1ccc(O[C@@H](C)CNC(=O)C2CC[NH+](CC(F)F)CC2)cc1 ZINC000225560710 474226083 /nfs/dbraw/zinc/22/60/83/474226083.db2.gz MELRYXVDRZJEBF-AWEZNQCLSA-N 1 2 340.414 2.856 40 0 EFABLO Cc1cncc(CO[C@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)c1 ZINC000247918111 474226277 /nfs/dbraw/zinc/22/62/77/474226277.db2.gz NAUJGPQIVFHUAS-IBGZPJMESA-N 1 2 339.439 2.735 40 0 EFABLO O=C1CCCN1CC[C@H]1CCOC12C[NH+](Cc1ccc(Cl)cc1)C2 ZINC000247960700 474233011 /nfs/dbraw/zinc/23/30/11/474233011.db2.gz QBEGKVCVWLOARP-INIZCTEOSA-N 1 2 348.874 2.943 40 0 EFABLO Cc1nc(CO[C@@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)cs1 ZINC000248044647 474251129 /nfs/dbraw/zinc/25/11/29/474251129.db2.gz QAGNONUSGHMIJE-QGZVFWFLSA-N 1 2 345.468 2.797 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](Oc1cccnc1)CCO2 ZINC000248056266 474252129 /nfs/dbraw/zinc/25/21/29/474252129.db2.gz UNCVTBWXDGPBGW-AWEZNQCLSA-N 1 2 331.441 2.659 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](Oc1cccnc1)CCO2 ZINC000248056272 474252307 /nfs/dbraw/zinc/25/23/07/474252307.db2.gz UNCVTBWXDGPBGW-CQSZACIVSA-N 1 2 331.441 2.659 40 0 EFABLO Cc1cccc(COc2cccc(NC(=O)[C@@H]3COCC[NH2+]3)c2)c1 ZINC000237658118 474453004 /nfs/dbraw/zinc/45/30/04/474453004.db2.gz ICDHXULZCAWRSP-SFHVURJKSA-N 1 2 326.396 2.501 40 0 EFABLO CC[N@H+](CC(=O)NCc1ccnc(C)n1)Cc1ccccc1Cl ZINC000239760935 474547511 /nfs/dbraw/zinc/54/75/11/474547511.db2.gz CINMURRAMXHHLK-UHFFFAOYSA-N 1 2 332.835 2.577 40 0 EFABLO CC[N@@H+](CC(=O)NCc1ccnc(C)n1)Cc1ccccc1Cl ZINC000239760935 474547515 /nfs/dbraw/zinc/54/75/15/474547515.db2.gz CINMURRAMXHHLK-UHFFFAOYSA-N 1 2 332.835 2.577 40 0 EFABLO Cn1nccc1[C@H]1CCCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000240912291 474552221 /nfs/dbraw/zinc/55/22/21/474552221.db2.gz IXDXEKMGSUANTC-MRXNPFEDSA-N 1 2 342.447 2.554 40 0 EFABLO CC(C)c1nn(C)cc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000241287537 474554891 /nfs/dbraw/zinc/55/48/91/474554891.db2.gz LMIPBUXSBAWGNG-DZGCQCFKSA-N 1 2 330.436 2.855 40 0 EFABLO OC[C@H]1CCCCN1c1cc(N2CCC[C@@H](C(F)(F)F)C2)[nH+]cn1 ZINC000249317356 474556964 /nfs/dbraw/zinc/55/69/64/474556964.db2.gz PTLPWFKZTOMOGN-CHWSQXEVSA-N 1 2 344.381 2.607 40 0 EFABLO OC[C@H]1CCCCN1c1cc(N2CCC[C@@H](C(F)(F)F)C2)nc[nH+]1 ZINC000249317356 474556970 /nfs/dbraw/zinc/55/69/70/474556970.db2.gz PTLPWFKZTOMOGN-CHWSQXEVSA-N 1 2 344.381 2.607 40 0 EFABLO Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)N(C)C3CCCC3)CC2)no1 ZINC000241644660 474557366 /nfs/dbraw/zinc/55/73/66/474557366.db2.gz PSNOVEAQQIMCFU-HNNXBMFYSA-N 1 2 349.479 2.659 40 0 EFABLO Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)N(C)C3CCCC3)CC2)no1 ZINC000241644660 474557373 /nfs/dbraw/zinc/55/73/73/474557373.db2.gz PSNOVEAQQIMCFU-HNNXBMFYSA-N 1 2 349.479 2.659 40 0 EFABLO COCc1nsc(N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)n1 ZINC000267333046 474650817 /nfs/dbraw/zinc/65/08/17/474650817.db2.gz CDLGRBAWXSZJCA-CYBMUJFWSA-N 1 2 348.472 2.576 40 0 EFABLO O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000252495799 474679121 /nfs/dbraw/zinc/67/91/21/474679121.db2.gz PAKVBNLUEGJNRO-KSEOMHKRSA-N 1 2 343.430 2.928 40 0 EFABLO CCOC[C@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2c[nH+]cn21 ZINC000253384732 474732005 /nfs/dbraw/zinc/73/20/05/474732005.db2.gz PYADYUBYPDWNJC-LJQANCHMSA-N 1 2 339.439 2.608 40 0 EFABLO CCc1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)cc1CC ZINC000253418400 474744666 /nfs/dbraw/zinc/74/46/66/474744666.db2.gz RIHNDSPINVDMMX-QZTJIDSGSA-N 1 2 331.460 2.748 40 0 EFABLO CCc1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)cc1CC ZINC000253418400 474744670 /nfs/dbraw/zinc/74/46/70/474744670.db2.gz RIHNDSPINVDMMX-QZTJIDSGSA-N 1 2 331.460 2.748 40 0 EFABLO CC[C@@H]1C[N@H+](Cc2cncc(Br)c2)C[C@]2(CCOC2)O1 ZINC000253428911 474754621 /nfs/dbraw/zinc/75/46/21/474754621.db2.gz NXKTUOJKPPGGPT-CABCVRRESA-N 1 2 341.249 2.614 40 0 EFABLO CC[C@@H]1C[N@@H+](Cc2cncc(Br)c2)C[C@]2(CCOC2)O1 ZINC000253428911 474754627 /nfs/dbraw/zinc/75/46/27/474754627.db2.gz NXKTUOJKPPGGPT-CABCVRRESA-N 1 2 341.249 2.614 40 0 EFABLO Cc1ccc(-c2cn3c4c(n(C)c3[nH+]2)CCN(C(=O)C2CC2)C4)cc1 ZINC000306123570 474804810 /nfs/dbraw/zinc/80/48/10/474804810.db2.gz AQMYWHMIQPJSHR-UHFFFAOYSA-N 1 2 334.423 2.943 40 0 EFABLO CN1CC[N@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306128138 474806191 /nfs/dbraw/zinc/80/61/91/474806191.db2.gz GRCVCJNKYVUACO-SFHVURJKSA-N 1 2 339.487 2.633 40 0 EFABLO CN1CC[N@@H+](CC2CC2)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306128138 474806196 /nfs/dbraw/zinc/80/61/96/474806196.db2.gz GRCVCJNKYVUACO-SFHVURJKSA-N 1 2 339.487 2.633 40 0 EFABLO Cc1cc(C(=O)N2CC[C@H]3CCN(c4cccc[nH+]4)[C@@H]3CC2)no1 ZINC000306126995 474806350 /nfs/dbraw/zinc/80/63/50/474806350.db2.gz FLFGNMVWHJCMTB-GOEBONIOSA-N 1 2 326.400 2.509 40 0 EFABLO O=C(Cc1ccco1)N1CC[C@]2(Cc3[nH+]cc(-c4cccnc4)n3C2)C1 ZINC000306139864 474812295 /nfs/dbraw/zinc/81/22/95/474812295.db2.gz UCWWMYMSGCAHMY-FQEVSTJZSA-N 1 2 348.406 2.556 40 0 EFABLO CO[C@H]1CC[C@H](C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000257211384 474924897 /nfs/dbraw/zinc/92/48/97/474924897.db2.gz BYQPLILRESPGQL-ULQDDVLXSA-N 1 2 327.428 2.831 40 0 EFABLO Cc1nc(C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cs1 ZINC000257281070 474929308 /nfs/dbraw/zinc/92/93/08/474929308.db2.gz ONLZWTCQFOCQME-IRXDYDNUSA-N 1 2 336.432 2.995 40 0 EFABLO Cc1nc(C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cs1 ZINC000257281070 474929317 /nfs/dbraw/zinc/92/93/17/474929317.db2.gz ONLZWTCQFOCQME-IRXDYDNUSA-N 1 2 336.432 2.995 40 0 EFABLO CC1(c2ncc(Cl)s2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000257283362 474929986 /nfs/dbraw/zinc/92/99/86/474929986.db2.gz OXZDLPGGWKYRAP-UHFFFAOYSA-N 1 2 338.864 2.963 40 0 EFABLO Cc1ccnn1CCC(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257283040 474930669 /nfs/dbraw/zinc/93/06/69/474930669.db2.gz OWNYNTGGFZECSX-UHFFFAOYSA-N 1 2 326.444 2.766 40 0 EFABLO Cc1c(CCC(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)cnn1C ZINC000257284763 474931714 /nfs/dbraw/zinc/93/17/14/474931714.db2.gz PEEUNIMOISFHDD-SFHVURJKSA-N 1 2 349.438 2.641 40 0 EFABLO Cc1cc(=O)[nH]c([C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257288511 474934013 /nfs/dbraw/zinc/93/40/13/474934013.db2.gz PUKRXQKAFQMZOZ-QGZVFWFLSA-N 1 2 336.395 2.612 40 0 EFABLO Cc1cc(=O)[nH]c([C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCO2)n1 ZINC000257288511 474934019 /nfs/dbraw/zinc/93/40/19/474934019.db2.gz PUKRXQKAFQMZOZ-QGZVFWFLSA-N 1 2 336.395 2.612 40 0 EFABLO Cc1c[nH]c(-c2cc([C@H]3CCCN(c4cc(C)[nH+]cn4)C3)nc(C)n2)n1 ZINC000257290468 474935010 /nfs/dbraw/zinc/93/50/10/474935010.db2.gz QDCDMFATPRPCCS-HNNXBMFYSA-N 1 2 349.442 2.966 40 0 EFABLO CN(C(=O)CCc1cc(Cl)no1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257288581 474935119 /nfs/dbraw/zinc/93/51/19/474935119.db2.gz PUVNNJDYUPNZCG-ZDUSSCGKSA-N 1 2 348.834 2.783 40 0 EFABLO CN(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc[nH+]1 ZINC000257291406 474936209 /nfs/dbraw/zinc/93/62/09/474936209.db2.gz QGVBOZPEWVHELR-INIZCTEOSA-N 1 2 331.441 2.673 40 0 EFABLO Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)s1 ZINC000257291131 474936287 /nfs/dbraw/zinc/93/62/87/474936287.db2.gz QFUGQRWPGDCYKG-LBPRGKRZSA-N 1 2 339.486 2.563 40 0 EFABLO Cc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)s1 ZINC000257291131 474936292 /nfs/dbraw/zinc/93/62/92/474936292.db2.gz QFUGQRWPGDCYKG-LBPRGKRZSA-N 1 2 339.486 2.563 40 0 EFABLO Cc1nc(C[N@H+]2[C@H](c3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)no1 ZINC000257305450 474944074 /nfs/dbraw/zinc/94/40/74/474944074.db2.gz SQAQBUFCBWKZMT-IKGGRYGDSA-N 1 2 340.427 2.752 40 0 EFABLO Cc1nc(C[N@@H+]2[C@H](c3ccccc3)C[C@H]3NC(=O)CCCC[C@@H]32)no1 ZINC000257305450 474944078 /nfs/dbraw/zinc/94/40/78/474944078.db2.gz SQAQBUFCBWKZMT-IKGGRYGDSA-N 1 2 340.427 2.752 40 0 EFABLO CCCc1ncc(C[NH+]2CC3(C2)CO[C@@H](Cc2cccnc2)C3)cn1 ZINC000257306849 474944494 /nfs/dbraw/zinc/94/44/94/474944494.db2.gz SWGSIQBYZHVFQC-SFHVURJKSA-N 1 2 338.455 2.658 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc(OC)nc3)C2)cc[nH+]1 ZINC000257312848 474947428 /nfs/dbraw/zinc/94/74/28/474947428.db2.gz UPUSEGVMWFCJOT-HNNXBMFYSA-N 1 2 326.400 2.547 40 0 EFABLO Cc1nc2cc(C(=O)N[C@@H]3CCCN(c4cccc[nH+]4)C3)ccc2[nH]1 ZINC000257314780 474949292 /nfs/dbraw/zinc/94/92/92/474949292.db2.gz UYKKWANVBMWREZ-OAHLLOKOSA-N 1 2 335.411 2.665 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3ccc(F)c(F)c3)C2)[nH+]1 ZINC000257317407 474950764 /nfs/dbraw/zinc/95/07/64/474950764.db2.gz VJQCAQQBXSJYLK-NSHDSACASA-N 1 2 341.383 2.565 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](c2cnccn2)C1 ZINC000257320664 474951397 /nfs/dbraw/zinc/95/13/97/474951397.db2.gz VXVUXJJHWFJNGO-HNNXBMFYSA-N 1 2 335.411 2.541 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(C3CCCCC3)no2)[nH+]1 ZINC000257321516 474954313 /nfs/dbraw/zinc/95/43/13/474954313.db2.gz WBZOLAYFNLLMRH-HNNXBMFYSA-N 1 2 344.415 2.968 40 0 EFABLO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1Cc1csc(C)n1 ZINC000257324798 474955456 /nfs/dbraw/zinc/95/54/56/474955456.db2.gz WQGGFSPYYHJEQE-INIZCTEOSA-N 1 2 345.472 2.523 40 0 EFABLO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@H+]1Cc1csc(C)n1 ZINC000257324798 474955464 /nfs/dbraw/zinc/95/54/64/474955464.db2.gz WQGGFSPYYHJEQE-INIZCTEOSA-N 1 2 345.472 2.523 40 0 EFABLO CCCO[C@@H]1CCCN(C(=O)c2cncc(-c3ccc(N)[nH+]c3)c2)C1 ZINC000257325511 474955506 /nfs/dbraw/zinc/95/55/06/474955506.db2.gz WTFJNOFBEOSMRE-QGZVFWFLSA-N 1 2 340.427 2.757 40 0 EFABLO Cc1nn(C)c2nc([C@]3(C)CCCN(c4cc(C)[nH+]cn4)C3)ccc12 ZINC000257325099 474956199 /nfs/dbraw/zinc/95/61/99/474956199.db2.gz WRLFWCCLHXLMLL-LJQANCHMSA-N 1 2 336.443 2.933 40 0 EFABLO Cc1cc(N2CCC[C@@](C)(C(=O)NCc3ccccc3F)C2)nc[nH+]1 ZINC000257333840 474958594 /nfs/dbraw/zinc/95/85/94/474958594.db2.gz YDHSAPPVDPBEMA-LJQANCHMSA-N 1 2 342.418 2.847 40 0 EFABLO O=C(CC1CCOCC1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257336770 474962034 /nfs/dbraw/zinc/96/20/34/474962034.db2.gz YPYUTLNLUVRLMD-KRWDZBQOSA-N 1 2 325.412 2.783 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)cc[nH+]1 ZINC000257344818 474964855 /nfs/dbraw/zinc/96/48/55/474964855.db2.gz ZYTZVNSGNDAHII-INIZCTEOSA-N 1 2 348.410 2.681 40 0 EFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2CC ZINC000261363082 474973258 /nfs/dbraw/zinc/97/32/58/474973258.db2.gz FWMYLJALWBKLBI-CYBMUJFWSA-O 1 2 345.448 2.914 40 0 EFABLO c1cn(C2CCCC2)nc1CNc1cc(N2CCSCC2)nc[nH+]1 ZINC000302862098 476210724 /nfs/dbraw/zinc/21/07/24/476210724.db2.gz VVMTUWYQJXESKC-UHFFFAOYSA-N 1 2 344.488 2.954 40 0 EFABLO c1cn(C2CCCC2)nc1CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000302862098 476210728 /nfs/dbraw/zinc/21/07/28/476210728.db2.gz VVMTUWYQJXESKC-UHFFFAOYSA-N 1 2 344.488 2.954 40 0 EFABLO CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000451927720 476730935 /nfs/dbraw/zinc/73/09/35/476730935.db2.gz LALPRSGAUOKJJY-SECBINFHSA-N 1 2 331.800 2.735 40 0 EFABLO CC[C@@H](C)n1ncc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000390834351 476806603 /nfs/dbraw/zinc/80/66/03/476806603.db2.gz WWQROJBTPBNYMP-CQSZACIVSA-N 1 2 342.447 2.912 40 0 EFABLO COc1cccc2c1CC[C@@H]2NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000366027885 476823712 /nfs/dbraw/zinc/82/37/12/476823712.db2.gz CODHWTLAUOTNBG-CJNGLKHVSA-N 1 2 340.427 2.995 40 0 EFABLO CCCN1C(=O)N/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000409239566 476981252 /nfs/dbraw/zinc/98/12/52/476981252.db2.gz HHTOXBAFPIRXSZ-GHRIWEEISA-N 1 2 338.411 2.846 40 0 EFABLO CC(C)n1ccnc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000583756845 478934439 /nfs/dbraw/zinc/93/44/39/478934439.db2.gz RPRFVPDAOCEAAC-ZWKOTPCHSA-N 1 2 344.503 2.935 40 0 EFABLO CC(C)n1ccnc1C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000583756845 478934447 /nfs/dbraw/zinc/93/44/47/478934447.db2.gz RPRFVPDAOCEAAC-ZWKOTPCHSA-N 1 2 344.503 2.935 40 0 EFABLO CC(C)n1cc[nH+]c1CN1CCCN(C(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000583756845 478934455 /nfs/dbraw/zinc/93/44/55/478934455.db2.gz RPRFVPDAOCEAAC-ZWKOTPCHSA-N 1 2 344.503 2.935 40 0 EFABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cc2ccccc2o1 ZINC000585094614 479280043 /nfs/dbraw/zinc/28/00/43/479280043.db2.gz FPEDLEMZKXUGPT-CQSZACIVSA-N 1 2 339.395 2.770 40 0 EFABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)n(C)n1 ZINC000585095075 479280297 /nfs/dbraw/zinc/28/02/97/479280297.db2.gz CYORFKAYAUFLSE-GOSISDBHSA-N 1 2 342.487 2.979 40 0 EFABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)n(C)n1 ZINC000585095075 479280299 /nfs/dbraw/zinc/28/02/99/479280299.db2.gz CYORFKAYAUFLSE-GOSISDBHSA-N 1 2 342.487 2.979 40 0 EFABLO C[C@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1Cc1ccccn1 ZINC000585097117 479280713 /nfs/dbraw/zinc/28/07/13/479280713.db2.gz FWWLMRUDTWVOSO-INIZCTEOSA-N 1 2 349.438 2.871 40 0 EFABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3CC[C@@H]2COCC2CC2)c(C)o1 ZINC000585098610 479283525 /nfs/dbraw/zinc/28/35/25/479283525.db2.gz ZPTWMENKSGXXJA-MRXNPFEDSA-N 1 2 343.427 2.934 40 0 EFABLO c1cc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CC2)cc2c1OCO2 ZINC000585103082 479284794 /nfs/dbraw/zinc/28/47/94/479284794.db2.gz PSIOUDFENZKXCI-QGZVFWFLSA-N 1 2 345.439 2.823 40 0 EFABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2C[C@@H]2C)CC3)cc1 ZINC000585111087 479287229 /nfs/dbraw/zinc/28/72/29/479287229.db2.gz CWKDXZWDCNNVIH-XJKSGUPXSA-N 1 2 325.412 2.599 40 0 EFABLO Cc1cccc(C[N@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)c1 ZINC000585112466 479289348 /nfs/dbraw/zinc/28/93/48/479289348.db2.gz RBAAXUWAKFETJH-LJQANCHMSA-N 1 2 338.455 2.761 40 0 EFABLO Cc1cccc(C[N@@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)c1 ZINC000585112466 479289352 /nfs/dbraw/zinc/28/93/52/479289352.db2.gz RBAAXUWAKFETJH-LJQANCHMSA-N 1 2 338.455 2.761 40 0 EFABLO CN(C)c1[nH+]ccc2cc(NC(=O)N3CCC(CO)CC3)ccc21 ZINC000585140701 479297450 /nfs/dbraw/zinc/29/74/50/479297450.db2.gz JINUHTZFCCQCEU-UHFFFAOYSA-N 1 2 328.416 2.537 40 0 EFABLO c1c[nH]c(-c2cnc(C3CC[NH+](Cc4cscn4)CC3)cn2)n1 ZINC000585178823 479301754 /nfs/dbraw/zinc/30/17/54/479301754.db2.gz DGRHXMFQVOFFAC-UHFFFAOYSA-N 1 2 326.429 2.703 40 0 EFABLO CC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)[C@H]1Cc1ccc(F)cc1 ZINC000585275156 479304754 /nfs/dbraw/zinc/30/47/54/479304754.db2.gz YMAMOUFAHZFJFI-ROUUACIJSA-N 1 2 342.418 2.640 40 0 EFABLO CO[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1Cc1ccccc1C ZINC000585289361 479310132 /nfs/dbraw/zinc/31/01/32/479310132.db2.gz QFXYHSRKKYDYDT-RXOIRPBWSA-N 1 2 339.439 2.838 40 0 EFABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@H](O)[C@H](Cc2ccc(Cl)cc2)C1 ZINC000585289923 479310988 /nfs/dbraw/zinc/31/09/88/479310988.db2.gz XSKLLQRGXPCABW-SCYVGKGRSA-N 1 2 345.830 2.528 40 0 EFABLO O=C(CSc1ccncc1)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC000575604624 479449655 /nfs/dbraw/zinc/44/96/55/479449655.db2.gz AXBIELUQVFYHRC-HNNXBMFYSA-N 1 2 329.425 2.639 40 0 EFABLO COc1cccc(C(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)c1OC ZINC000575606288 479450345 /nfs/dbraw/zinc/45/03/45/479450345.db2.gz NOTJFNSKCPCOMO-OAHLLOKOSA-N 1 2 342.395 2.782 40 0 EFABLO Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCCc3ccc(Cl)cc32)c1 ZINC000624187929 480652344 /nfs/dbraw/zinc/65/23/44/480652344.db2.gz QAZJBSFEEQZRJW-MRXNPFEDSA-N 1 2 332.835 2.993 40 0 EFABLO CCCCc1[nH]c(CN2CCO[C@@H](c3cc(C)nc(C)n3)C2)c[nH+]1 ZINC000257220631 535103170 /nfs/dbraw/zinc/10/31/70/535103170.db2.gz DLNQGAQLMFMGDY-QGZVFWFLSA-N 1 2 329.448 2.733 40 0 EFABLO CCCCc1[nH]cc(CN2CCO[C@@H](c3cc(C)nc(C)n3)C2)[nH+]1 ZINC000257220631 535103173 /nfs/dbraw/zinc/10/31/73/535103173.db2.gz DLNQGAQLMFMGDY-QGZVFWFLSA-N 1 2 329.448 2.733 40 0 EFABLO CCCc1nnsc1C(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257232891 535552155 /nfs/dbraw/zinc/55/21/55/535552155.db2.gz GMWXCVXQCWDCOC-CYBMUJFWSA-N 1 2 345.472 2.627 40 0 EFABLO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)c2[nH]nc3ccccc32)ccn1 ZINC000257249114 535992906 /nfs/dbraw/zinc/99/29/06/535992906.db2.gz JGWNHSVFWWHUPQ-GOSISDBHSA-N 1 2 349.438 2.997 40 0 EFABLO CN(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2cccs2)cc[nH+]1 ZINC000257203275 536145454 /nfs/dbraw/zinc/14/54/54/536145454.db2.gz APHQLDPKNDSAJQ-ZDUSSCGKSA-N 1 2 337.470 2.735 40 0 EFABLO COc1ccc([C@H]2CN(C(=O)c3ccnn3C(C)C)CC[N@@H+]2C)cc1 ZINC000257254232 536944382 /nfs/dbraw/zinc/94/43/82/536944382.db2.gz KCHBHGATEYSXKD-GOSISDBHSA-N 1 2 342.443 2.602 40 0 EFABLO COc1ccc([C@H]2CN(C(=O)c3ccnn3C(C)C)CC[N@H+]2C)cc1 ZINC000257254232 536944385 /nfs/dbraw/zinc/94/43/85/536944385.db2.gz KCHBHGATEYSXKD-GOSISDBHSA-N 1 2 342.443 2.602 40 0 EFABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1C(=O)Cc1cccnc1 ZINC000257216342 537105405 /nfs/dbraw/zinc/10/54/05/537105405.db2.gz CUDNWUDCGRLTAP-KRWDZBQOSA-N 1 2 348.406 2.613 40 0 EFABLO Cc1noc([C@@H]2CCCO[C@H]2C2CCN(c3cc[nH+]c(C)n3)CC2)n1 ZINC000895298242 724004663 /nfs/dbraw/zinc/00/46/63/724004663.db2.gz ZWCLZYPSXGLGSH-WBVHZDCISA-N 1 2 343.431 2.656 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)n1 ZINC000097953762 219064584 /nfs/dbraw/zinc/06/45/84/219064584.db2.gz IPNPAQSWEASNSP-JENIJYKNSA-N 1 2 325.412 2.596 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)n1 ZINC000097953762 219064586 /nfs/dbraw/zinc/06/45/86/219064586.db2.gz IPNPAQSWEASNSP-JENIJYKNSA-N 1 2 325.412 2.596 40 0 EFABLO Fc1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)[NH+]2CCCCC2)cc1 ZINC000004190642 210141880 /nfs/dbraw/zinc/14/18/80/210141880.db2.gz NOBMMMGQBYPYPB-IRXDYDNUSA-N 1 2 345.422 2.567 40 0 EFABLO O=C(NCCc1ccc(F)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068371128 215302654 /nfs/dbraw/zinc/30/26/54/215302654.db2.gz HKFHZHIMRYMOSK-UHFFFAOYSA-N 1 2 342.414 2.630 40 0 EFABLO CN(C)C(=O)c1cccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181552950 234228038 /nfs/dbraw/zinc/22/80/38/234228038.db2.gz LUSHKUDXVUBPBO-HXUWFJFHSA-N 1 2 338.451 2.832 40 0 EFABLO CN(C)C(=O)c1cccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181552950 234228041 /nfs/dbraw/zinc/22/80/41/234228041.db2.gz LUSHKUDXVUBPBO-HXUWFJFHSA-N 1 2 338.451 2.832 40 0 EFABLO C[C@H](c1nnnn1C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000189605317 237066886 /nfs/dbraw/zinc/06/68/86/237066886.db2.gz GZVYULINCAHZTM-SNVBAGLBSA-N 1 2 346.822 2.945 40 0 EFABLO CCCc1nc2c(C)nn(CC)c2c(NCCCn2cc[nH+]c2)n1 ZINC000072237841 216076626 /nfs/dbraw/zinc/07/66/26/216076626.db2.gz VELVUGAANFPXJJ-UHFFFAOYSA-N 1 2 327.436 2.806 40 0 EFABLO O=C(c1ccccc1)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355327 216164236 /nfs/dbraw/zinc/16/42/36/216164236.db2.gz JOVKMUPMHQTGPU-MRXNPFEDSA-N 1 2 333.395 2.682 40 0 EFABLO O=C(CCc1ccccc1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378523 216180242 /nfs/dbraw/zinc/18/02/42/216180242.db2.gz YEAQCRUQRYNKBP-GOSISDBHSA-N 1 2 347.422 2.959 40 0 EFABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)C2CCC2)n1 ZINC000072378500 216180682 /nfs/dbraw/zinc/18/06/82/216180682.db2.gz COUBDIINZXXIRW-OAHLLOKOSA-N 1 2 325.416 2.688 40 0 EFABLO Cc1cc(-c2snnc2[C@H]2CCCN(Cc3[nH]cc[nH+]3)C2)on1 ZINC000072396707 216192235 /nfs/dbraw/zinc/19/22/35/216192235.db2.gz JXTXKIPJRDZUNB-NSHDSACASA-N 1 2 330.417 2.604 40 0 EFABLO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)on1 ZINC000072396707 216192239 /nfs/dbraw/zinc/19/22/39/216192239.db2.gz JXTXKIPJRDZUNB-NSHDSACASA-N 1 2 330.417 2.604 40 0 EFABLO Cc1cc(-c2snnc2[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)on1 ZINC000072396707 216192242 /nfs/dbraw/zinc/19/22/42/216192242.db2.gz JXTXKIPJRDZUNB-NSHDSACASA-N 1 2 330.417 2.604 40 0 EFABLO O=C(CCOc1ccccc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130950322 223190316 /nfs/dbraw/zinc/19/03/16/223190316.db2.gz KFXOQHHFUMOOMX-MRXNPFEDSA-N 1 2 325.412 2.636 40 0 EFABLO CC(=O)N(C)c1cccc(NC(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000072596580 216279784 /nfs/dbraw/zinc/27/97/84/216279784.db2.gz KUMSJGAVFIHBSC-UHFFFAOYSA-N 1 2 343.431 2.844 40 0 EFABLO O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)c1cc(=O)c2ccccc2o1 ZINC000131211182 223213984 /nfs/dbraw/zinc/21/39/84/223213984.db2.gz UHJAFZWYFQMASV-AWEZNQCLSA-N 1 2 349.390 2.587 40 0 EFABLO O=C(Cc1nc(C[NH+]2CCSCC2)cs1)Nc1ccccc1 ZINC000072578106 216277653 /nfs/dbraw/zinc/27/76/53/216277653.db2.gz KAVMITSHOOMCLX-UHFFFAOYSA-N 1 2 333.482 2.873 40 0 EFABLO CC(C)([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1nccs1 ZINC000072662378 216289947 /nfs/dbraw/zinc/28/99/47/216289947.db2.gz SRPGHMLVJWFEPL-JTQLQIEISA-N 1 2 335.395 2.769 40 0 EFABLO CC(=O)Nc1cccc(NC(=O)C[NH2+]C(C)(C)c2nccs2)c1 ZINC000072662546 216290570 /nfs/dbraw/zinc/29/05/70/216290570.db2.gz AXUPPWYHBUZKIA-UHFFFAOYSA-N 1 2 332.429 2.565 40 0 EFABLO Cc1ccc([C@@H]2CSCC[N@@H+]2Cc2cc(=O)n3ccsc3n2)o1 ZINC000072826814 216312534 /nfs/dbraw/zinc/31/25/34/216312534.db2.gz NCVBYQXJHKWNLY-ZDUSSCGKSA-N 1 2 347.465 2.948 40 0 EFABLO Cc1ccc([C@@H]2CSCC[N@H+]2Cc2cc(=O)n3ccsc3n2)o1 ZINC000072826814 216312536 /nfs/dbraw/zinc/31/25/36/216312536.db2.gz NCVBYQXJHKWNLY-ZDUSSCGKSA-N 1 2 347.465 2.948 40 0 EFABLO Cc1ccc(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1F ZINC000023174608 212358431 /nfs/dbraw/zinc/35/84/31/212358431.db2.gz XIRBADKXXREIQV-UHFFFAOYSA-N 1 2 342.418 2.557 40 0 EFABLO Cc1[nH]c2ccc(C(=O)NCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2c1C ZINC000023111002 212348395 /nfs/dbraw/zinc/34/83/95/212348395.db2.gz WEQHZSZXPKYMNX-CHWSQXEVSA-N 1 2 329.444 2.624 40 0 EFABLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)Nc1ccc(F)cc1F ZINC000023015746 212343024 /nfs/dbraw/zinc/34/30/24/212343024.db2.gz KMTZXKMAAPFECJ-UHFFFAOYSA-N 1 2 329.310 2.867 40 0 EFABLO CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1(C)C ZINC000022839458 212328198 /nfs/dbraw/zinc/32/81/98/212328198.db2.gz ZXQJOZZZOCZEAZ-SJLPKXTDSA-N 1 2 343.471 2.773 40 0 EFABLO Cc1ccc([C@@H](O)CN2CC[NH+](Cc3ncccc3C)CC2)c(C)c1 ZINC000022887508 212331967 /nfs/dbraw/zinc/33/19/67/212331967.db2.gz AZWSUGTUGVCKJK-NRFANRHFSA-N 1 2 339.483 2.858 40 0 EFABLO Cc1ccc([C@H](O)CN2CC[NH+](Cc3ncccc3C)CC2)c(C)c1 ZINC000022887513 212331611 /nfs/dbraw/zinc/33/16/11/212331611.db2.gz AZWSUGTUGVCKJK-OAQYLSRUSA-N 1 2 339.483 2.858 40 0 EFABLO CCC[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccn1 ZINC000225799636 240232490 /nfs/dbraw/zinc/23/24/90/240232490.db2.gz VBCZVOKOXNLSLF-INIZCTEOSA-N 1 2 335.411 2.862 40 0 EFABLO CC(C)C[N@@H+]1CCO[C@@H](CSc2nc(-c3cccs3)n[nH]2)C1 ZINC000022227500 212282167 /nfs/dbraw/zinc/28/21/67/212282167.db2.gz CAFJUYMSMZTYDL-GFCCVEGCSA-N 1 2 338.502 2.982 40 0 EFABLO CC(C)C[N@H+]1CCO[C@@H](CSc2nc(-c3cccs3)n[nH]2)C1 ZINC000022227500 212282168 /nfs/dbraw/zinc/28/21/68/212282168.db2.gz CAFJUYMSMZTYDL-GFCCVEGCSA-N 1 2 338.502 2.982 40 0 EFABLO Cc1ccccc1C(=O)Nc1c[nH+]c(N2CCCC2)nc1N(C)C ZINC000206732571 241049050 /nfs/dbraw/zinc/04/90/50/241049050.db2.gz WSOKUHQQXUCUJP-UHFFFAOYSA-N 1 2 325.416 2.704 40 0 EFABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccccc1F ZINC000224351529 241752729 /nfs/dbraw/zinc/75/27/29/241752729.db2.gz ZSAYGJTZFIWEKO-UHFFFAOYSA-N 1 2 329.379 2.534 40 0 EFABLO Nc1ccc2c(ncnc2NCc2[nH+]ccn2CCc2ccccc2)n1 ZINC000225750695 242016245 /nfs/dbraw/zinc/01/62/45/242016245.db2.gz AJTNRZXNJPBXOJ-UHFFFAOYSA-N 1 2 345.410 2.658 40 0 EFABLO C[N@@H+]1CCO[C@H]2CN(C(=O)CCCc3ccc4ccccc4c3)C[C@H]21 ZINC000230188133 242246302 /nfs/dbraw/zinc/24/63/02/242246302.db2.gz OOWYWTXTMDJCQK-UXHICEINSA-N 1 2 338.451 2.704 40 0 EFABLO C[N@H+]1CCO[C@H]2CN(C(=O)CCCc3ccc4ccccc4c3)C[C@H]21 ZINC000230188133 242246307 /nfs/dbraw/zinc/24/63/07/242246307.db2.gz OOWYWTXTMDJCQK-UXHICEINSA-N 1 2 338.451 2.704 40 0 EFABLO CCOc1cccc(S(=O)(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000241795510 243003913 /nfs/dbraw/zinc/00/39/13/243003913.db2.gz RZTXPHGPBDLKFO-WMLDXEAASA-N 1 2 349.456 2.554 40 0 EFABLO C[C@@H]1c2nc(C(=O)NCc3cccs3)cn2CC[N@H+]1CC1CC1 ZINC000253590342 244029314 /nfs/dbraw/zinc/02/93/14/244029314.db2.gz AMYVPTWZZLTFOB-GFCCVEGCSA-N 1 2 330.457 2.661 40 0 EFABLO C[C@@H]1c2nc(C(=O)NCc3cccs3)cn2CC[N@@H+]1CC1CC1 ZINC000253590342 244029319 /nfs/dbraw/zinc/02/93/19/244029319.db2.gz AMYVPTWZZLTFOB-GFCCVEGCSA-N 1 2 330.457 2.661 40 0 EFABLO Cc1[nH+]cc(-c2nccnc2C[C@H]2CCN(C(=O)C(C)(C)C)C2)n1C ZINC000257209111 244143360 /nfs/dbraw/zinc/14/33/60/244143360.db2.gz BPAIBELIHHNECE-CQSZACIVSA-N 1 2 341.459 2.623 40 0 EFABLO Cc1ccn(CCC(=O)N2Cc3[nH+]cc(C)n3C[C@@H]2c2ccccc2)n1 ZINC000257218779 244176709 /nfs/dbraw/zinc/17/67/09/244176709.db2.gz DEKDBMHWVFRMGC-GOSISDBHSA-N 1 2 349.438 2.870 40 0 EFABLO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000257221800 244189765 /nfs/dbraw/zinc/18/97/65/244189765.db2.gz DQODVGRQIDAUDQ-HNNXBMFYSA-N 1 2 333.457 2.501 40 0 EFABLO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000257221800 244189771 /nfs/dbraw/zinc/18/97/71/244189771.db2.gz DQODVGRQIDAUDQ-HNNXBMFYSA-N 1 2 333.457 2.501 40 0 EFABLO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@@H+]2Cc2cnccn2)n1 ZINC000257224132 244193698 /nfs/dbraw/zinc/19/36/98/244193698.db2.gz FALPVDLFROEJJY-INIZCTEOSA-N 1 2 336.399 2.876 40 0 EFABLO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@H+]2Cc2cnccn2)n1 ZINC000257224132 244193703 /nfs/dbraw/zinc/19/37/03/244193703.db2.gz FALPVDLFROEJJY-INIZCTEOSA-N 1 2 336.399 2.876 40 0 EFABLO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cncnc2)[nH+]1 ZINC000257225315 244197540 /nfs/dbraw/zinc/19/75/40/244197540.db2.gz FFSFVISWAFAZRP-QGZVFWFLSA-N 1 2 339.443 2.565 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC(c2cncc(C)n2)CC1 ZINC000257232018 244217929 /nfs/dbraw/zinc/21/79/29/244217929.db2.gz GJAPPWGPCXLVBT-UHFFFAOYSA-N 1 2 349.438 2.849 40 0 EFABLO Cc1cc2cc3c(cc2nc1SCC[NH+]1CCOCC1)OCCO3 ZINC000020151168 212106726 /nfs/dbraw/zinc/10/67/26/212106726.db2.gz FYHVIDFLURLOMA-UHFFFAOYSA-N 1 2 346.452 2.739 40 0 EFABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)Cc1cccnc1)C2 ZINC000257233401 244220691 /nfs/dbraw/zinc/22/06/91/244220691.db2.gz GPCYQRXRHBGLPF-SFHVURJKSA-N 1 2 332.407 2.913 40 0 EFABLO CNC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2cccc(C)c2)C1 ZINC000257234501 244223617 /nfs/dbraw/zinc/22/36/17/244223617.db2.gz GTUPQMBSFKESKK-HNNXBMFYSA-N 1 2 340.427 2.503 40 0 EFABLO CNC(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2cccc(C)c2)C1 ZINC000257234501 244223623 /nfs/dbraw/zinc/22/36/23/244223623.db2.gz GTUPQMBSFKESKK-HNNXBMFYSA-N 1 2 340.427 2.503 40 0 EFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc(N4CCCC4)cc3)C2)[nH+]1 ZINC000257241512 244244802 /nfs/dbraw/zinc/24/48/02/244244802.db2.gz HYHFEPRNOCYOFZ-KRWDZBQOSA-N 1 2 338.455 2.958 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)c3cccnc3OC)C2)cc[nH+]1 ZINC000257249675 244265911 /nfs/dbraw/zinc/26/59/11/244265911.db2.gz JJHNZTKOGDMLLM-CQSZACIVSA-N 1 2 326.400 2.547 40 0 EFABLO CNc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc[nH+]1 ZINC000257249570 244266893 /nfs/dbraw/zinc/26/68/93/244266893.db2.gz JIYAQYMGCRMYDS-OAHLLOKOSA-N 1 2 335.404 2.788 40 0 EFABLO Cc1nc(NCCc2nccs2)cc([C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000257250203 244268501 /nfs/dbraw/zinc/26/85/01/244268501.db2.gz JLMRHIVXLQGCSY-HNNXBMFYSA-N 1 2 347.488 2.678 40 0 EFABLO Cc1nc(NCCc2nccs2)cc([C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000257250203 244268505 /nfs/dbraw/zinc/26/85/05/244268505.db2.gz JLMRHIVXLQGCSY-HNNXBMFYSA-N 1 2 347.488 2.678 40 0 EFABLO COc1ccc(C(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)cn1 ZINC000257254158 244276316 /nfs/dbraw/zinc/27/63/16/244276316.db2.gz KBXSREAJDIPRFL-OAHLLOKOSA-N 1 2 326.400 2.529 40 0 EFABLO O=C(c1cnc(C2CC2)nc1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257255598 244282628 /nfs/dbraw/zinc/28/26/28/244282628.db2.gz KIDIKYUENVGKEM-QGZVFWFLSA-N 1 2 345.406 2.948 40 0 EFABLO COc1ccccc1C[N@@H+]1CC[C@]1(CCCc1ccccn1)C(N)=O ZINC000257256888 244284063 /nfs/dbraw/zinc/28/40/63/244284063.db2.gz KNHOAXMYRNJNET-HXUWFJFHSA-N 1 2 339.439 2.543 40 0 EFABLO COc1ccccc1C[N@H+]1CC[C@]1(CCCc1ccccn1)C(N)=O ZINC000257256888 244284070 /nfs/dbraw/zinc/28/40/70/244284070.db2.gz KNHOAXMYRNJNET-HXUWFJFHSA-N 1 2 339.439 2.543 40 0 EFABLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257268893 244370041 /nfs/dbraw/zinc/37/00/41/244370041.db2.gz MNRQUPCXBFMWIS-OAHLLOKOSA-N 1 2 335.415 2.686 40 0 EFABLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1ccnc(Nc2cnccn2)c1 ZINC000257268893 244370048 /nfs/dbraw/zinc/37/00/48/244370048.db2.gz MNRQUPCXBFMWIS-OAHLLOKOSA-N 1 2 335.415 2.686 40 0 EFABLO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257273906 244385613 /nfs/dbraw/zinc/38/56/13/244385613.db2.gz NIRZJGOOQPEPIU-OAHLLOKOSA-N 1 2 335.415 2.686 40 0 EFABLO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1ccnc(Nc2ncccn2)c1 ZINC000257273906 244385617 /nfs/dbraw/zinc/38/56/17/244385617.db2.gz NIRZJGOOQPEPIU-OAHLLOKOSA-N 1 2 335.415 2.686 40 0 EFABLO CNC(=O)C[N@@H+]1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000257274518 244388924 /nfs/dbraw/zinc/38/89/24/244388924.db2.gz NLJZKBRYSVWCJX-OAHLLOKOSA-N 1 2 346.818 2.805 40 0 EFABLO CNC(=O)C[N@H+]1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000257274518 244388927 /nfs/dbraw/zinc/38/89/27/244388927.db2.gz NLJZKBRYSVWCJX-OAHLLOKOSA-N 1 2 346.818 2.805 40 0 EFABLO COc1ccccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(C)n(C)n1 ZINC000019658752 212054383 /nfs/dbraw/zinc/05/43/83/212054383.db2.gz NFOKXOFUVGQEJU-OAHLLOKOSA-N 1 2 328.416 2.513 40 0 EFABLO COc1ccccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cc(C)n(C)n1 ZINC000019658752 212054386 /nfs/dbraw/zinc/05/43/86/212054386.db2.gz NFOKXOFUVGQEJU-OAHLLOKOSA-N 1 2 328.416 2.513 40 0 EFABLO CCn1nc(C)cc1C(=O)N1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000078915128 217147470 /nfs/dbraw/zinc/14/74/70/217147470.db2.gz MOBMINXVEVYTKY-OAHLLOKOSA-N 1 2 344.434 2.870 40 0 EFABLO C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078992667 217167417 /nfs/dbraw/zinc/16/74/17/217167417.db2.gz OTPIMKIAVVBNLL-DYVFJYSZSA-N 1 2 339.395 2.975 40 0 EFABLO COCc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000079353556 217213301 /nfs/dbraw/zinc/21/33/01/217213301.db2.gz STFHZVHBNREVRT-INIZCTEOSA-N 1 2 339.439 2.747 40 0 EFABLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)COc2ccccc2F)CC1 ZINC000079353396 217213430 /nfs/dbraw/zinc/21/34/30/217213430.db2.gz CRVAKLPZGLWBMN-HNNXBMFYSA-N 1 2 343.402 2.505 40 0 EFABLO CO[C@@H](C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccccc1 ZINC000079352918 217213494 /nfs/dbraw/zinc/21/34/94/217213494.db2.gz WQTOOGCNEDESAC-VQIMIIECSA-N 1 2 339.439 2.675 40 0 EFABLO COCc1cccc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000079353560 217213585 /nfs/dbraw/zinc/21/35/85/217213585.db2.gz STFHZVHBNREVRT-MRXNPFEDSA-N 1 2 339.439 2.747 40 0 EFABLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1nccs1 ZINC000079355160 217213646 /nfs/dbraw/zinc/21/36/46/217213646.db2.gz OANBVZSPDRYNGJ-ZIAGYGMSSA-N 1 2 345.472 2.688 40 0 EFABLO COC(=O)[C@@H](C)[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000079635162 217245626 /nfs/dbraw/zinc/24/56/26/217245626.db2.gz HXKZFDHWCYXDEJ-GUYCJALGSA-N 1 2 337.379 2.615 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc3cccc(F)c3[nH]2)[nH+]1 ZINC000257332115 291619104 /nfs/dbraw/zinc/61/91/04/291619104.db2.gz XVUYHWQABOSSBA-AWEZNQCLSA-N 1 2 328.347 2.552 40 0 EFABLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3ccc(Cl)cc3)CC2)[nH]n1 ZINC000266146922 248129817 /nfs/dbraw/zinc/12/98/17/248129817.db2.gz MNRXPSVLKAUZIH-CYBMUJFWSA-N 1 2 332.835 2.891 40 0 EFABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@H+](Cc4cccc(C)n4)C3)cc2n1 ZINC000012222251 211324074 /nfs/dbraw/zinc/32/40/74/211324074.db2.gz YVBZVSARUAWVCA-AWEZNQCLSA-N 1 2 337.427 2.690 40 0 EFABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@@H+](Cc4cccc(C)n4)C3)cc2n1 ZINC000012222251 211324077 /nfs/dbraw/zinc/32/40/77/211324077.db2.gz YVBZVSARUAWVCA-AWEZNQCLSA-N 1 2 337.427 2.690 40 0 EFABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4cccnc4)C3)[nH]n2c1=O ZINC000012222239 211323767 /nfs/dbraw/zinc/32/37/67/211323767.db2.gz RMYBQIJUNFATSB-OAHLLOKOSA-N 1 2 337.427 2.690 40 0 EFABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4cccnc4)C3)[nH]n2c1=O ZINC000012222239 211323771 /nfs/dbraw/zinc/32/37/71/211323771.db2.gz RMYBQIJUNFATSB-OAHLLOKOSA-N 1 2 337.427 2.690 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2ccccn2)C1 ZINC000012116450 211296584 /nfs/dbraw/zinc/29/65/84/211296584.db2.gz CMGCEGLZUTWHLX-OAHLLOKOSA-N 1 2 349.438 2.501 40 0 EFABLO CCc1cc(NCCc2c[nH]c[nH+]2)n2nc3nc(C)cc(C)c3c2n1 ZINC000012116522 211295670 /nfs/dbraw/zinc/29/56/70/211295670.db2.gz HGKSNSLXMTXDTR-UHFFFAOYSA-N 1 2 335.415 2.834 40 0 EFABLO CCc1cc(NCCc2c[nH+]c[nH]2)n2nc3nc(C)cc(C)c3c2n1 ZINC000012116522 211295672 /nfs/dbraw/zinc/29/56/72/211295672.db2.gz HGKSNSLXMTXDTR-UHFFFAOYSA-N 1 2 335.415 2.834 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000012145803 211306280 /nfs/dbraw/zinc/30/62/80/211306280.db2.gz ADGNMBKNACGIDG-GFCCVEGCSA-N 1 2 341.440 2.885 40 0 EFABLO O=C(c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1)N1CCSCC1 ZINC000012088103 211289050 /nfs/dbraw/zinc/28/90/50/211289050.db2.gz NAMRNNUPDUUGGK-UHFFFAOYSA-N 1 2 338.436 2.852 40 0 EFABLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1ccc(Cl)cc1Cl ZINC000091623208 218033298 /nfs/dbraw/zinc/03/32/98/218033298.db2.gz UBXQCZIWOHVYPO-GFCCVEGCSA-N 1 2 344.242 2.978 40 0 EFABLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1ccc(Cl)cc1Cl ZINC000091623208 218033299 /nfs/dbraw/zinc/03/32/99/218033299.db2.gz UBXQCZIWOHVYPO-GFCCVEGCSA-N 1 2 344.242 2.978 40 0 EFABLO CS(=O)(=O)Cc1cc(F)ccc1NCc1cn2ccccc2[nH+]1 ZINC000095414071 218352811 /nfs/dbraw/zinc/35/28/11/218352811.db2.gz NPHAKVHWXUURDN-UHFFFAOYSA-N 1 2 333.388 2.630 40 0 EFABLO CCNc1ncc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)s1 ZINC000095429486 218372637 /nfs/dbraw/zinc/37/26/37/218372637.db2.gz ZLJKWTAGJLUJSV-UHFFFAOYSA-N 1 2 347.366 2.606 40 0 EFABLO Cc1ncsc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449234 218392920 /nfs/dbraw/zinc/39/29/20/218392920.db2.gz TVPFAJRZHANJLX-UONOGXRCSA-N 1 2 337.395 2.905 40 0 EFABLO Cc1ncsc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000095449234 218392921 /nfs/dbraw/zinc/39/29/21/218392921.db2.gz TVPFAJRZHANJLX-UONOGXRCSA-N 1 2 337.395 2.905 40 0 EFABLO CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000095449122 218393006 /nfs/dbraw/zinc/39/30/06/218393006.db2.gz WPRYAEQINPRZDL-HIFRSBDPSA-N 1 2 340.427 2.613 40 0 EFABLO CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000095449123 218393052 /nfs/dbraw/zinc/39/30/52/218393052.db2.gz WPRYAEQINPRZDL-ZFWWWQNUSA-N 1 2 340.427 2.613 40 0 EFABLO CC[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000095449120 218393154 /nfs/dbraw/zinc/39/31/54/218393154.db2.gz WPRYAEQINPRZDL-UKRRQHHQSA-N 1 2 340.427 2.613 40 0 EFABLO C[C@@H](Cn1cc[nH+]c1)NC(=O)/C=C/c1csc(Br)c1 ZINC000096407484 218758930 /nfs/dbraw/zinc/75/89/30/218758930.db2.gz CCUARHJLTCRQTK-PBKGFPTLSA-N 1 2 340.246 2.925 40 0 EFABLO O=C(Nc1nccs1)[C@@H]1CCC[N@H+](Cc2nnc(C3CCC3)o2)C1 ZINC000096410311 218764491 /nfs/dbraw/zinc/76/44/91/218764491.db2.gz XORDSNCHRQTBCU-GFCCVEGCSA-N 1 2 347.444 2.644 40 0 EFABLO O=C(Nc1nccs1)[C@@H]1CCC[N@@H+](Cc2nnc(C3CCC3)o2)C1 ZINC000096410311 218764494 /nfs/dbraw/zinc/76/44/94/218764494.db2.gz XORDSNCHRQTBCU-GFCCVEGCSA-N 1 2 347.444 2.644 40 0 EFABLO CCn1nc(C)cc1C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000096413893 218771133 /nfs/dbraw/zinc/77/11/33/218771133.db2.gz PEJZVZDARDUDRH-UHFFFAOYSA-N 1 2 342.443 2.604 40 0 EFABLO CNC(=O)c1ccc(CN(Cc2ccco2)c2cc(C)[nH+]cn2)cc1 ZINC000096469279 218848982 /nfs/dbraw/zinc/84/89/82/218848982.db2.gz CFRLMSNQYLWVND-UHFFFAOYSA-N 1 2 336.395 2.944 40 0 EFABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000097378536 219019673 /nfs/dbraw/zinc/01/96/73/219019673.db2.gz ZGEXACSHGWXYLP-CQSZACIVSA-N 1 2 344.484 2.800 40 0 EFABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000097378519 219020114 /nfs/dbraw/zinc/02/01/14/219020114.db2.gz WXFLMSCCXWUDGC-AWEZNQCLSA-N 1 2 330.453 2.902 40 0 EFABLO O=c1c2sccc2nc2n1CC[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019292993 285216253 /nfs/dbraw/zinc/21/62/53/285216253.db2.gz RSIGCELZUUBWFJ-UHFFFAOYSA-N 1 2 347.390 2.795 40 0 EFABLO O=c1c2sccc2nc2n1CC[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019292993 285216254 /nfs/dbraw/zinc/21/62/54/285216254.db2.gz RSIGCELZUUBWFJ-UHFFFAOYSA-N 1 2 347.390 2.795 40 0 EFABLO CC(C)Cc1noc(CN2CC[NH+]([C@H](C)c3cccnc3)CC2)n1 ZINC000118835813 221192242 /nfs/dbraw/zinc/19/22/42/221192242.db2.gz HVZKEZBVHCWXRL-OAHLLOKOSA-N 1 2 329.448 2.542 40 0 EFABLO CN(C)c1noc(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)n1 ZINC000330032644 258003106 /nfs/dbraw/zinc/00/31/06/258003106.db2.gz QFAVIBQZBHFLKJ-UHFFFAOYSA-N 1 2 336.823 2.585 40 0 EFABLO O=C(Nc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)c1ccco1 ZINC000039984823 258059477 /nfs/dbraw/zinc/05/94/77/258059477.db2.gz XVNNKXMAJMXORS-UHFFFAOYSA-N 1 2 338.367 2.549 40 0 EFABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@@H+]2CCC(F)(F)F)cc1 ZINC000257269663 286363379 /nfs/dbraw/zinc/36/33/79/286363379.db2.gz MQVMWBOOJBDAGK-HNNXBMFYSA-N 1 2 330.350 2.853 40 0 EFABLO COc1ccc([C@@H]2CN(C(C)=O)CC[N@H+]2CCC(F)(F)F)cc1 ZINC000257269663 286363381 /nfs/dbraw/zinc/36/33/81/286363381.db2.gz MQVMWBOOJBDAGK-HNNXBMFYSA-N 1 2 330.350 2.853 40 0 EFABLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCC(O)CC1 ZINC000023993343 287160728 /nfs/dbraw/zinc/16/07/28/287160728.db2.gz MHMDFBWCZRBIMD-MNOVXSKESA-N 1 2 347.484 2.627 40 0 EFABLO C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCC(O)CC1 ZINC000023993345 287160749 /nfs/dbraw/zinc/16/07/49/287160749.db2.gz MHMDFBWCZRBIMD-QWRGUYRKSA-N 1 2 347.484 2.627 40 0 EFABLO CCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000096487519 544559563 /nfs/dbraw/zinc/55/95/63/544559563.db2.gz FFPMIAWIIQWKPU-HOTGVXAUSA-N 1 2 339.867 2.763 40 0 EFABLO CCCN(C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000096487519 544559568 /nfs/dbraw/zinc/55/95/68/544559568.db2.gz FFPMIAWIIQWKPU-HOTGVXAUSA-N 1 2 339.867 2.763 40 0 EFABLO COc1ccnc(N2CC[NH+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)n1 ZINC000129595455 544647646 /nfs/dbraw/zinc/64/76/46/544647646.db2.gz WRUBLDWGELPJNY-DZGCQCFKSA-N 1 2 328.416 2.524 40 0 EFABLO COc1ccnc(N2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)n1 ZINC000129595029 544647671 /nfs/dbraw/zinc/64/76/71/544647671.db2.gz WRUBLDWGELPJNY-ZFWWWQNUSA-N 1 2 328.416 2.524 40 0 EFABLO Cc1noc2ncc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cc12 ZINC000277925275 267299452 /nfs/dbraw/zinc/29/94/52/267299452.db2.gz DBKOAAKYQWELFN-TZMCWYRMSA-N 1 2 341.371 2.507 40 0 EFABLO Cc1noc2ncc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cc12 ZINC000277925275 267299455 /nfs/dbraw/zinc/29/94/55/267299455.db2.gz DBKOAAKYQWELFN-TZMCWYRMSA-N 1 2 341.371 2.507 40 0 EFABLO CCn1cc[nH+]c1[C@H](NC(=O)Nc1nccs1)C1CCOCC1 ZINC000284395497 273833394 /nfs/dbraw/zinc/83/33/94/273833394.db2.gz AKWPPAFKFNBQDS-GFCCVEGCSA-N 1 2 335.433 2.649 40 0 EFABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1ccccc1Cl ZINC000257238724 289028266 /nfs/dbraw/zinc/02/82/66/289028266.db2.gz HMGVYDRORFVICR-GOSISDBHSA-N 1 2 344.846 2.710 40 0 EFABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@H+]1Cc1ccccc1Cl ZINC000257238724 289028269 /nfs/dbraw/zinc/02/82/69/289028269.db2.gz HMGVYDRORFVICR-GOSISDBHSA-N 1 2 344.846 2.710 40 0 EFABLO Cc1nc(N2CCC3(C[C@@H]3C(=O)N3CCCC3)CC2)c(C)c(C)[nH+]1 ZINC000253423001 293226414 /nfs/dbraw/zinc/22/64/14/293226414.db2.gz RFJOLABYLHKVQK-MRXNPFEDSA-N 1 2 328.460 2.631 40 0 EFABLO COC[C@H]1CN(C(=O)c2cc(C)oc2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045089 293230297 /nfs/dbraw/zinc/23/02/97/293230297.db2.gz YJDPQYQPXCMXQF-OAHLLOKOSA-N 1 2 343.427 2.889 40 0 EFABLO COC[C@H]1CN(C(=O)c2ccoc2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045071 293231167 /nfs/dbraw/zinc/23/11/67/293231167.db2.gz IZDPEUXCNPGIHV-CQSZACIVSA-N 1 2 329.400 2.581 40 0 EFABLO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C2CC2)o1 ZINC000333405123 311610083 /nfs/dbraw/zinc/61/00/83/311610083.db2.gz FOVBUNGJOMWJHD-ZDUSSCGKSA-N 1 2 334.445 2.518 40 0 EFABLO c1cnn(-c2cccc(CN3CC[NH+](Cc4ccncc4)CC3)c2)c1 ZINC000097234698 323213913 /nfs/dbraw/zinc/21/39/13/323213913.db2.gz XPIXEZNUOORVAL-UHFFFAOYSA-N 1 2 333.439 2.585 40 0 EFABLO Cc1ccc(-c2nc(SCCC[NH+]3CCN(C)CC3)n[nH]2)cc1 ZINC000130053467 323218277 /nfs/dbraw/zinc/21/82/77/323218277.db2.gz BVDPFZPLLHRPLZ-UHFFFAOYSA-N 1 2 331.489 2.510 40 0 EFABLO Cc1cc(S(=O)(=O)N(C)c2ccc[nH+]c2N2CCCC2)c(C)o1 ZINC000095463655 473209731 /nfs/dbraw/zinc/20/97/31/473209731.db2.gz CGNFAPHWRYTLHS-UHFFFAOYSA-N 1 2 335.429 2.717 40 0 EFABLO COc1ccc([C@@H]([NH3+])c2nc(-c3ccc(F)cc3)n[nH]2)cc1OC ZINC000095533783 473222575 /nfs/dbraw/zinc/22/25/75/473222575.db2.gz GULLJVQGPCBNMJ-OAHLLOKOSA-N 1 2 328.347 2.676 40 0 EFABLO CCOc1ccc([C@@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)cc1OCC ZINC000095534593 473224005 /nfs/dbraw/zinc/22/40/05/473224005.db2.gz NORSXFZMTVZFCK-DZGCQCFKSA-N 1 2 332.404 2.502 40 0 EFABLO Cc1cccc(C[N@@H+]2CCc3cnn(C)c3[C@H]2COCC2CC2)n1 ZINC000096044489 473265568 /nfs/dbraw/zinc/26/55/68/473265568.db2.gz GTSOXPRBEXBTRC-GOSISDBHSA-N 1 2 326.444 2.650 40 0 EFABLO Cc1cccc(C[N@H+]2CCc3cnn(C)c3[C@H]2COCC2CC2)n1 ZINC000096044489 473265575 /nfs/dbraw/zinc/26/55/75/473265575.db2.gz GTSOXPRBEXBTRC-GOSISDBHSA-N 1 2 326.444 2.650 40 0 EFABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(C(=O)c1cccs1)C2 ZINC000096044925 473265654 /nfs/dbraw/zinc/26/56/54/473265654.db2.gz WUDSRGPCSQRIDX-CYBMUJFWSA-N 1 2 331.441 2.648 40 0 EFABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(C(=O)c1cccs1)C2 ZINC000096044924 473264686 /nfs/dbraw/zinc/26/46/86/473264686.db2.gz WUDSRGPCSQRIDX-ZDUSSCGKSA-N 1 2 331.441 2.648 40 0 EFABLO COc1ccccc1C[N@@H+]1CCc2cnn(C)c2[C@H]1COCC1CC1 ZINC000096044506 473264752 /nfs/dbraw/zinc/26/47/52/473264752.db2.gz VNAPWCGGPSCPEX-GOSISDBHSA-N 1 2 341.455 2.955 40 0 EFABLO COc1ccccc1C[N@H+]1CCc2cnn(C)c2[C@H]1COCC1CC1 ZINC000096044506 473264763 /nfs/dbraw/zinc/26/47/63/473264763.db2.gz VNAPWCGGPSCPEX-GOSISDBHSA-N 1 2 341.455 2.955 40 0 EFABLO Cc1nc(C[N@@H+]2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)cs1 ZINC000096045819 473267815 /nfs/dbraw/zinc/26/78/15/473267815.db2.gz LLWLIYFKLKGYJO-FPMFFAJLSA-N 1 2 332.429 2.674 40 0 EFABLO Cc1nc(C[N@H+]2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)cs1 ZINC000096045819 473267824 /nfs/dbraw/zinc/26/78/24/473267824.db2.gz LLWLIYFKLKGYJO-FPMFFAJLSA-N 1 2 332.429 2.674 40 0 EFABLO c1ccc(OC[C@@H]2C[C@H]3OCC[N@H+](Cc4cccnc4)[C@H]3C2)nc1 ZINC000096055449 473279406 /nfs/dbraw/zinc/27/94/06/473279406.db2.gz QFJGJMZLFSPXDA-OKZBNKHCSA-N 1 2 325.412 2.535 40 0 EFABLO c1ccc(OC[C@@H]2C[C@H]3OCC[N@@H+](Cc4cccnc4)[C@H]3C2)nc1 ZINC000096055449 473279415 /nfs/dbraw/zinc/27/94/15/473279415.db2.gz QFJGJMZLFSPXDA-OKZBNKHCSA-N 1 2 325.412 2.535 40 0 EFABLO Fc1ccc(C[N@@H+]2CCCn3nnc(COCC4CC4)c3C2)cc1 ZINC000096058844 473283472 /nfs/dbraw/zinc/28/34/72/473283472.db2.gz GUCNGHPNDXTCEF-UHFFFAOYSA-N 1 2 330.407 2.750 40 0 EFABLO Fc1ccc(C[N@H+]2CCCn3nnc(COCC4CC4)c3C2)cc1 ZINC000096058844 473283478 /nfs/dbraw/zinc/28/34/78/473283478.db2.gz GUCNGHPNDXTCEF-UHFFFAOYSA-N 1 2 330.407 2.750 40 0 EFABLO Cn1nnc2c1[C@H](COCc1ccccc1)C[N@H+](Cc1ccncc1)C2 ZINC000096060815 473284933 /nfs/dbraw/zinc/28/49/33/473284933.db2.gz JQRIEICBSZDFCN-SFHVURJKSA-N 1 2 349.438 2.526 40 0 EFABLO Cn1nnc2c1[C@H](COCc1ccccc1)C[N@@H+](Cc1ccncc1)C2 ZINC000096060815 473284939 /nfs/dbraw/zinc/28/49/39/473284939.db2.gz JQRIEICBSZDFCN-SFHVURJKSA-N 1 2 349.438 2.526 40 0 EFABLO O=C(c1ccsc1)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062484 473285536 /nfs/dbraw/zinc/28/55/36/473285536.db2.gz TXTBTDCPZAGBBH-GOSISDBHSA-N 1 2 343.452 2.512 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCC3CC3)C2)s1 ZINC000096060711 473285934 /nfs/dbraw/zinc/28/59/34/473285934.db2.gz VYWGQPFBHCRIHX-CQSZACIVSA-N 1 2 332.473 2.711 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCC3CC3)C2)s1 ZINC000096060711 473285941 /nfs/dbraw/zinc/28/59/41/473285941.db2.gz VYWGQPFBHCRIHX-CQSZACIVSA-N 1 2 332.473 2.711 40 0 EFABLO CCOC[C@H]1C[N@H+](Cc2ccncc2)Cc2nn(CC3CC3)cc21 ZINC000096060489 473285980 /nfs/dbraw/zinc/28/59/80/473285980.db2.gz JZVNWCKMIQBYHT-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@H]1C[N@@H+](Cc2ccncc2)Cc2nn(CC3CC3)cc21 ZINC000096060489 473285984 /nfs/dbraw/zinc/28/59/84/473285984.db2.gz JZVNWCKMIQBYHT-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO c1cc2n(n1)C[C@H](COCc1ccccn1)CN(c1cccc[nH+]1)C2 ZINC000096189181 473330289 /nfs/dbraw/zinc/33/02/89/473330289.db2.gz IMMUGSDHTLAGSK-MRXNPFEDSA-N 1 2 335.411 2.526 40 0 EFABLO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@@H+](Cc1ccoc1)C2 ZINC000096189172 473330818 /nfs/dbraw/zinc/33/08/18/473330818.db2.gz YLRIQHSLAAOSAZ-KRWDZBQOSA-N 1 2 338.411 2.720 40 0 EFABLO c1cc2n(n1)C[C@@H](COCc1ccccn1)C[N@H+](Cc1ccoc1)C2 ZINC000096189172 473330824 /nfs/dbraw/zinc/33/08/24/473330824.db2.gz YLRIQHSLAAOSAZ-KRWDZBQOSA-N 1 2 338.411 2.720 40 0 EFABLO Cc1ccccc1C(=O)N1CCn2cc(CNc3cccc[nH+]3)nc2C1 ZINC000096197514 473333554 /nfs/dbraw/zinc/33/35/54/473333554.db2.gz KVSBBXRKDHOWCX-UHFFFAOYSA-N 1 2 347.422 2.855 40 0 EFABLO COc1ccc(C[N@@H+]2CCc3cnn(C)c3[C@H]2COCC2CC2)cc1 ZINC000096197771 473333709 /nfs/dbraw/zinc/33/37/09/473333709.db2.gz VMAZVIJJNYYQEX-LJQANCHMSA-N 1 2 341.455 2.955 40 0 EFABLO COc1ccc(C[N@H+]2CCc3cnn(C)c3[C@H]2COCC2CC2)cc1 ZINC000096197771 473333715 /nfs/dbraw/zinc/33/37/15/473333715.db2.gz VMAZVIJJNYYQEX-LJQANCHMSA-N 1 2 341.455 2.955 40 0 EFABLO Cc1noc(C)c1C[N@H+]1Cc2cn(C)nc2[C@H](COCC2CC2)C1 ZINC000096198011 473333932 /nfs/dbraw/zinc/33/39/32/473333932.db2.gz JFUBPOMVXQIOTM-INIZCTEOSA-N 1 2 330.432 2.551 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1Cc2cn(C)nc2[C@H](COCC2CC2)C1 ZINC000096198011 473333939 /nfs/dbraw/zinc/33/39/39/473333939.db2.gz JFUBPOMVXQIOTM-INIZCTEOSA-N 1 2 330.432 2.551 40 0 EFABLO CN(Cc1cn2c(n1)C[N@@H+](Cc1cccnc1)CC2)Cc1ccco1 ZINC000096197470 473334015 /nfs/dbraw/zinc/33/40/15/473334015.db2.gz GLXWYJYCIAJZMS-UHFFFAOYSA-N 1 2 337.427 2.519 40 0 EFABLO CN(Cc1cn2c(n1)C[N@H+](Cc1cccnc1)CC2)Cc1ccco1 ZINC000096197470 473334022 /nfs/dbraw/zinc/33/40/22/473334022.db2.gz GLXWYJYCIAJZMS-UHFFFAOYSA-N 1 2 337.427 2.519 40 0 EFABLO C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000150173331 473335506 /nfs/dbraw/zinc/33/55/06/473335506.db2.gz FZECBQFAODDFHV-XJKSGUPXSA-N 1 2 343.427 2.823 40 0 EFABLO Cc1nc(C[N@@H+]2CC[C@]3(C2)COCCN(Cc2ccco2)C3)cs1 ZINC000096202115 473337285 /nfs/dbraw/zinc/33/72/85/473337285.db2.gz YYIRCKGTJBDCJA-GOSISDBHSA-N 1 2 347.484 2.769 40 0 EFABLO Cc1nc(C[N@H+]2CC[C@]3(C2)COCCN(Cc2ccco2)C3)cs1 ZINC000096202115 473337290 /nfs/dbraw/zinc/33/72/90/473337290.db2.gz YYIRCKGTJBDCJA-GOSISDBHSA-N 1 2 347.484 2.769 40 0 EFABLO c1csc(C[N@H+]2CC[C@]3(C2)COCCN(Cc2ccsc2)C3)n1 ZINC000096202204 473337825 /nfs/dbraw/zinc/33/78/25/473337825.db2.gz FAJDUCVBCFSHSG-QGZVFWFLSA-N 1 2 349.525 2.929 40 0 EFABLO c1csc(C[N@@H+]2CC[C@]3(C2)COCCN(Cc2ccsc2)C3)n1 ZINC000096202204 473337836 /nfs/dbraw/zinc/33/78/36/473337836.db2.gz FAJDUCVBCFSHSG-QGZVFWFLSA-N 1 2 349.525 2.929 40 0 EFABLO Cc1nc(CN2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cs1 ZINC000096207360 473342854 /nfs/dbraw/zinc/34/28/54/473342854.db2.gz IZIGKPVGTAGMIP-OAHLLOKOSA-N 1 2 332.473 2.707 40 0 EFABLO Cc1cncc(C(=O)N2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)c1 ZINC000096216742 473348745 /nfs/dbraw/zinc/34/87/45/473348745.db2.gz KTLFJDNUAIYFFY-HXUWFJFHSA-N 1 2 336.439 2.918 40 0 EFABLO O=C(NC1CCCC1)N1CCC2(C[C@@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221381 473353107 /nfs/dbraw/zinc/35/31/07/473353107.db2.gz BQBSUZNESQAEKI-MRXNPFEDSA-N 1 2 344.459 2.769 40 0 EFABLO O=C(c1ccsc1)N1CCO[C@]2(CCCN(c3cccc[nH+]3)C2)C1 ZINC000096226379 473357272 /nfs/dbraw/zinc/35/72/72/473357272.db2.gz UBZYRADSWIBAGF-SFHVURJKSA-N 1 2 343.452 2.655 40 0 EFABLO c1ccc(C[N@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)nc1 ZINC000096250566 473365044 /nfs/dbraw/zinc/36/50/44/473365044.db2.gz KXWOZZLIBZCRKW-RYQLBKOJSA-N 1 2 325.412 2.535 40 0 EFABLO c1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COc4ccccn4)C[C@@H]32)nc1 ZINC000096250566 473365054 /nfs/dbraw/zinc/36/50/54/473365054.db2.gz KXWOZZLIBZCRKW-RYQLBKOJSA-N 1 2 325.412 2.535 40 0 EFABLO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)NCc1ccccn1 ZINC000190739600 473380640 /nfs/dbraw/zinc/38/06/40/473380640.db2.gz SIJOAMOAYQPDPR-UHFFFAOYSA-N 1 2 344.846 2.593 40 0 EFABLO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)NCc1ccccn1 ZINC000190739600 473380645 /nfs/dbraw/zinc/38/06/45/473380645.db2.gz SIJOAMOAYQPDPR-UHFFFAOYSA-N 1 2 344.846 2.593 40 0 EFABLO Cc1cc(C)cc(NC(=O)C(=O)NCc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000096407053 473384211 /nfs/dbraw/zinc/38/42/11/473384211.db2.gz XFKGNEPZGIAFEH-UHFFFAOYSA-N 1 2 348.406 2.744 40 0 EFABLO Cc1noc([C@H](NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C(C)C)n1 ZINC000096412401 473391392 /nfs/dbraw/zinc/39/13/92/473391392.db2.gz UACZFWDHJRVLIU-SUMWQHHRSA-N 1 2 342.443 2.638 40 0 EFABLO Cc1noc([C@H](NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C(C)C)n1 ZINC000096412401 473391399 /nfs/dbraw/zinc/39/13/99/473391399.db2.gz UACZFWDHJRVLIU-SUMWQHHRSA-N 1 2 342.443 2.638 40 0 EFABLO CN(CCc1ccccn1)c1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000000426429 471359125 /nfs/dbraw/zinc/35/91/25/471359125.db2.gz PVOKCUYLIVERHD-UHFFFAOYSA-N 1 2 330.395 2.889 40 0 EFABLO CCOC(=O)c1c(NC(=O)C[NH+]2CCCC2)sc2c1CCCC2 ZINC000001514373 471392372 /nfs/dbraw/zinc/39/23/72/471392372.db2.gz CRYRBYICRCSJFU-UHFFFAOYSA-N 1 2 336.457 2.838 40 0 EFABLO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)C[NH+](CC)CC ZINC000002657552 471416630 /nfs/dbraw/zinc/41/66/30/471416630.db2.gz VAAGVDNXYGGPAF-UHFFFAOYSA-N 1 2 340.445 2.716 40 0 EFABLO Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C[NH+]1CCOCC1 ZINC000006263558 471538100 /nfs/dbraw/zinc/53/81/00/471538100.db2.gz DNGFLBMMSBKLEJ-LBPRGKRZSA-N 1 2 342.226 2.664 40 0 EFABLO Cc1[nH+]c2ccccc2n1CCNS(=O)(=O)c1ccc(C)cc1 ZINC000007908570 471646672 /nfs/dbraw/zinc/64/66/72/471646672.db2.gz ACALEHXLTYYRSL-UHFFFAOYSA-N 1 2 329.425 2.632 40 0 EFABLO O=C(NCCc1cn2ccccc2[nH+]1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000012669937 471788548 /nfs/dbraw/zinc/78/85/48/471788548.db2.gz FKVGLDKKXXHJSH-UHFFFAOYSA-N 1 2 349.369 2.836 40 0 EFABLO O=S1(=O)[C@H]2CCCCC[C@]2([NH+]2CCOCC2)[C@@H]1C1CCCCC1 ZINC000016952701 471951638 /nfs/dbraw/zinc/95/16/38/471951638.db2.gz KFAGSDTTWOOWFW-OKZBNKHCSA-N 1 2 341.517 2.767 40 0 EFABLO Cc1cccnc1[C@H](Cc1ccsc1)NC(=O)Cn1cc[nH+]c1 ZINC000019237626 471978174 /nfs/dbraw/zinc/97/81/74/471978174.db2.gz ARIOGSHFJUHNJG-HNNXBMFYSA-N 1 2 326.425 2.748 40 0 EFABLO COc1cc(SC)ccc1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000022500485 472015819 /nfs/dbraw/zinc/01/58/19/472015819.db2.gz GJWMJVZLHFXACM-UHFFFAOYSA-N 1 2 343.452 2.775 40 0 EFABLO O=C(c1ccsc1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000024302849 472051017 /nfs/dbraw/zinc/05/10/17/472051017.db2.gz RAOXASQPXCLITR-UHFFFAOYSA-N 1 2 328.437 2.641 40 0 EFABLO COc1ccccc1C1(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CC1 ZINC000041527060 472067428 /nfs/dbraw/zinc/06/74/28/472067428.db2.gz ZBTGHHDUIFQSNZ-UHFFFAOYSA-N 1 2 343.452 2.810 40 0 EFABLO COc1ccccc1C1(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CC1 ZINC000041527060 472067435 /nfs/dbraw/zinc/06/74/35/472067435.db2.gz ZBTGHHDUIFQSNZ-UHFFFAOYSA-N 1 2 343.452 2.810 40 0 EFABLO C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000025423329 472096159 /nfs/dbraw/zinc/09/61/59/472096159.db2.gz DWUOIMXOGHQMDC-MRXNPFEDSA-N 1 2 341.430 2.653 40 0 EFABLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000026898327 472154474 /nfs/dbraw/zinc/15/44/74/472154474.db2.gz JCQKPXHKGNJTQQ-HXUWFJFHSA-N 1 2 338.451 2.936 40 0 EFABLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000026898327 472154478 /nfs/dbraw/zinc/15/44/78/472154478.db2.gz JCQKPXHKGNJTQQ-HXUWFJFHSA-N 1 2 338.451 2.936 40 0 EFABLO O=c1cc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)occ1O ZINC000084372499 472171821 /nfs/dbraw/zinc/17/18/21/472171821.db2.gz FYDITXCWZYWERY-HNNXBMFYSA-N 1 2 333.359 2.666 40 0 EFABLO O=c1cc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)occ1O ZINC000084372499 472171826 /nfs/dbraw/zinc/17/18/26/472171826.db2.gz FYDITXCWZYWERY-HNNXBMFYSA-N 1 2 333.359 2.666 40 0 EFABLO C[N@@H+]1CCc2nc(NC(=O)CCc3nc4ccccc4[nH]3)sc2C1 ZINC000027988303 472207230 /nfs/dbraw/zinc/20/72/30/472207230.db2.gz ZLEYRSZCUCTULK-UHFFFAOYSA-N 1 2 341.440 2.579 40 0 EFABLO C[N@H+]1CCc2nc(NC(=O)CCc3nc4ccccc4[nH]3)sc2C1 ZINC000027988303 472207236 /nfs/dbraw/zinc/20/72/36/472207236.db2.gz ZLEYRSZCUCTULK-UHFFFAOYSA-N 1 2 341.440 2.579 40 0 EFABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)CCc2ccccc2)CC1 ZINC000044448694 472308033 /nfs/dbraw/zinc/30/80/33/472308033.db2.gz JJYBYBWIDPORNY-UHFFFAOYSA-N 1 2 327.428 2.568 40 0 EFABLO O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088390748 472360790 /nfs/dbraw/zinc/36/07/90/472360790.db2.gz QGNPYAYCHNPFOW-LSDHHAIUSA-N 1 2 344.419 2.544 40 0 EFABLO COC(=O)c1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1F ZINC000089100093 472387681 /nfs/dbraw/zinc/38/76/81/472387681.db2.gz YAADQCFBIPHKDD-UHFFFAOYSA-N 1 2 344.386 2.640 40 0 EFABLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(F)cc(F)c1 ZINC000032248691 472418878 /nfs/dbraw/zinc/41/88/78/472418878.db2.gz LWNRUHDJNXVNNT-SFHVURJKSA-N 1 2 346.377 2.596 40 0 EFABLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(F)cc(F)c1 ZINC000032248691 472418885 /nfs/dbraw/zinc/41/88/85/472418885.db2.gz LWNRUHDJNXVNNT-SFHVURJKSA-N 1 2 346.377 2.596 40 0 EFABLO O=C(Cc1c[nH]c2ccccc12)NCc1cccnc1-n1cc[nH+]c1 ZINC000032778104 472465694 /nfs/dbraw/zinc/46/56/94/472465694.db2.gz XQTIUKQBIPSJRB-UHFFFAOYSA-N 1 2 331.379 2.608 40 0 EFABLO C[C@H]1C[N@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(C2CC2)no1 ZINC000057796557 472475342 /nfs/dbraw/zinc/47/53/42/472475342.db2.gz FAUUOKQZSPEZMN-STQMWFEESA-N 1 2 329.400 2.880 40 0 EFABLO C[C@H]1C[N@@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1cc(C2CC2)no1 ZINC000057796557 472475351 /nfs/dbraw/zinc/47/53/51/472475351.db2.gz FAUUOKQZSPEZMN-STQMWFEESA-N 1 2 329.400 2.880 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)on1 ZINC000032901358 472478004 /nfs/dbraw/zinc/47/80/04/472478004.db2.gz IEEWZVGNRQBPDO-ZDUSSCGKSA-N 1 2 335.429 2.664 40 0 EFABLO Cc1cc(NC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)on1 ZINC000032901358 472478010 /nfs/dbraw/zinc/47/80/10/472478010.db2.gz IEEWZVGNRQBPDO-ZDUSSCGKSA-N 1 2 335.429 2.664 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)on1 ZINC000032901359 472478178 /nfs/dbraw/zinc/47/81/78/472478178.db2.gz IEEWZVGNRQBPDO-CYBMUJFWSA-N 1 2 335.429 2.664 40 0 EFABLO Cc1cc(NC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)on1 ZINC000032901359 472478183 /nfs/dbraw/zinc/47/81/83/472478183.db2.gz IEEWZVGNRQBPDO-CYBMUJFWSA-N 1 2 335.429 2.664 40 0 EFABLO O=C(NCc1[nH+]ccn1CC(F)(F)F)N1CCC[C@H]1C1CCC1 ZINC000097212282 472480716 /nfs/dbraw/zinc/48/07/16/472480716.db2.gz XFLIBKIGCQRNIK-LBPRGKRZSA-N 1 2 330.354 2.920 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000033106495 472498335 /nfs/dbraw/zinc/49/83/35/472498335.db2.gz MYYINVHKRHLUGW-UHFFFAOYSA-N 1 2 335.411 2.927 40 0 EFABLO CNc1[nH+]cccc1[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212546 472633745 /nfs/dbraw/zinc/63/37/45/472633745.db2.gz SVQJQWNZRICMLW-INIZCTEOSA-N 1 2 331.441 2.958 40 0 EFABLO CC(C)CCO[C@H](C)C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1 ZINC000060334957 472643531 /nfs/dbraw/zinc/64/35/31/472643531.db2.gz ZEVVPEYMQONRCR-MRXNPFEDSA-N 1 2 333.476 2.960 40 0 EFABLO O=S(=O)(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccccc1 ZINC000047031277 472646248 /nfs/dbraw/zinc/64/62/48/472646248.db2.gz USBPAACDGFFDHM-INIZCTEOSA-N 1 2 334.441 2.785 40 0 EFABLO CC(C)(C)c1ccc(C(=O)N2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000062021967 472727328 /nfs/dbraw/zinc/72/73/28/472727328.db2.gz AAWAUQIRVCZTPP-UHFFFAOYSA-N 1 2 340.471 2.639 40 0 EFABLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000158360430 472928111 /nfs/dbraw/zinc/92/81/11/472928111.db2.gz YCIPGLSLJLPPRC-AWEZNQCLSA-N 1 2 330.453 2.902 40 0 EFABLO O=C(c1ccsc1)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000107713502 472977225 /nfs/dbraw/zinc/97/72/25/472977225.db2.gz JIHFKWFSLLTYHR-LXZKKBNFSA-N 1 2 343.452 2.875 40 0 EFABLO COc1cc(F)c([C@@H](C)NC(=O)CCCn2cc[nH+]c2)cc1OC ZINC000074609377 473034887 /nfs/dbraw/zinc/03/48/87/473034887.db2.gz QBWPEPVKPUJJAY-GFCCVEGCSA-N 1 2 335.379 2.697 40 0 EFABLO Cc1cc(F)ccc1S(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000074924409 473095374 /nfs/dbraw/zinc/09/53/74/473095374.db2.gz PMGOGZKHCPTYFY-UHFFFAOYSA-N 1 2 348.443 2.641 40 0 EFABLO NC(=O)[C@H]([NH2+]Cc1ncccc1C(F)(F)F)c1ccc(F)cc1 ZINC000136979932 473187884 /nfs/dbraw/zinc/18/78/84/473187884.db2.gz VFECHAWKGNAORJ-CYBMUJFWSA-N 1 2 327.281 2.556 40 0 EFABLO NC(=O)[C@@H]([NH2+]Cc1ncccc1C(F)(F)F)c1ccc(F)cc1 ZINC000136979890 473188272 /nfs/dbraw/zinc/18/82/72/473188272.db2.gz VFECHAWKGNAORJ-ZDUSSCGKSA-N 1 2 327.281 2.556 40 0 EFABLO c1c(CN2CCC[C@@H]2c2nnc3n2CCCCC3)[nH+]c2ccccn12 ZINC000096414809 473393640 /nfs/dbraw/zinc/39/36/40/473393640.db2.gz OAKVGEKQZZIQBN-MRXNPFEDSA-N 1 2 336.443 2.989 40 0 EFABLO Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000096420770 473398862 /nfs/dbraw/zinc/39/88/62/473398862.db2.gz MXMKDAJEJWQMTE-VXGBXAGGSA-N 1 2 339.317 2.739 40 0 EFABLO C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)c2nccn2C)CC1 ZINC000096421329 473400375 /nfs/dbraw/zinc/40/03/75/473400375.db2.gz DJTNEDQJZVRQHK-CYBMUJFWSA-N 1 2 332.835 2.593 40 0 EFABLO COc1cccc([C@H](O)CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000096424338 473402234 /nfs/dbraw/zinc/40/22/34/473402234.db2.gz DLKZVYJPKOMDIT-OXJNMPFZSA-N 1 2 341.455 2.502 40 0 EFABLO COc1cccc([C@H](O)CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000096424339 473402376 /nfs/dbraw/zinc/40/23/76/473402376.db2.gz DLKZVYJPKOMDIT-OXQOHEQNSA-N 1 2 341.455 2.502 40 0 EFABLO CCc1ccc([C@H](COC)NC(=O)c2ccc(-n3cc[nH+]c3)nc2)o1 ZINC000096423867 473402500 /nfs/dbraw/zinc/40/25/00/473402500.db2.gz ZOEGHTNFUSCGCM-HNNXBMFYSA-N 1 2 340.383 2.540 40 0 EFABLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000096424334 473403111 /nfs/dbraw/zinc/40/31/11/473403111.db2.gz YHYRCVLQWHBUBM-AWEZNQCLSA-N 1 2 339.399 2.603 40 0 EFABLO Cc1cc(NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)cc[nH+]1 ZINC000096426485 473404988 /nfs/dbraw/zinc/40/49/88/473404988.db2.gz QFQULSCBUCAQFQ-KRWDZBQOSA-N 1 2 329.375 2.541 40 0 EFABLO CC(C)(C)C(=O)Nc1cnn(Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000096435628 473415332 /nfs/dbraw/zinc/41/53/32/473415332.db2.gz HGTRCTFSOCBKHZ-UHFFFAOYSA-N 1 2 329.326 2.675 40 0 EFABLO Cc1ccc(N2CCC(NC(=O)c3c(O)cc(F)cc3F)CC2)[nH+]c1 ZINC000096437423 473416577 /nfs/dbraw/zinc/41/65/77/473416577.db2.gz LLPLUMUXLLIRBU-UHFFFAOYSA-N 1 2 347.365 2.773 40 0 EFABLO COC(C)(C)C[C@H](C)NC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000096440344 473419034 /nfs/dbraw/zinc/41/90/34/473419034.db2.gz OLZCRBKHVKFYOM-AWEZNQCLSA-N 1 2 330.432 2.875 40 0 EFABLO CN(Cc1[nH+]ccn1Cc1ccccc1)[C@H](C(N)=O)c1ccccc1 ZINC000096443510 473421027 /nfs/dbraw/zinc/42/10/27/473421027.db2.gz VNYNERWOGCAMIF-IBGZPJMESA-N 1 2 334.423 2.590 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000096467199 473435187 /nfs/dbraw/zinc/43/51/87/473435187.db2.gz MTKYWDUUWRBZNN-HNNXBMFYSA-N 1 2 348.472 2.884 40 0 EFABLO CN(Cc1cc(Cl)cn1C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000096462813 473435271 /nfs/dbraw/zinc/43/52/71/473435271.db2.gz XGWDEGXHUSDCIO-UHFFFAOYSA-N 1 2 345.834 2.710 40 0 EFABLO O=C(N1CC[C@H](Oc2cc[nH+]cc2)C1)C1(c2ccc(F)cc2)CC1 ZINC000096468579 473436240 /nfs/dbraw/zinc/43/62/40/473436240.db2.gz CVNGBBVSBCRIQL-KRWDZBQOSA-N 1 2 326.371 2.932 40 0 EFABLO Cc1cccn2cc(CCNC(=O)N3CC[C@H](OCC(C)C)C3)[nH+]c12 ZINC000096468463 473436540 /nfs/dbraw/zinc/43/65/40/473436540.db2.gz VMUPRXAYAWMRNC-KRWDZBQOSA-N 1 2 344.459 2.642 40 0 EFABLO O=C(NCCOc1ncccc1Cl)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000096474264 473438651 /nfs/dbraw/zinc/43/86/51/473438651.db2.gz DGRYGFROEQXKPZ-ZDUSSCGKSA-N 1 2 349.822 2.774 40 0 EFABLO CS(=O)(=O)CCC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000096483719 473441966 /nfs/dbraw/zinc/44/19/66/473441966.db2.gz SOIHNOXFKZPISO-ZDUSSCGKSA-N 1 2 331.865 2.618 40 0 EFABLO CS(=O)(=O)CCC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000096483719 473441973 /nfs/dbraw/zinc/44/19/73/473441973.db2.gz SOIHNOXFKZPISO-ZDUSSCGKSA-N 1 2 331.865 2.618 40 0 EFABLO Cc1cc(N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)nc(C(C)C)[nH+]1 ZINC000096484311 473443747 /nfs/dbraw/zinc/44/37/47/473443747.db2.gz FGCQACSQDOSUBD-INIZCTEOSA-N 1 2 346.475 2.516 40 0 EFABLO Cc1ncsc1C[NH+]1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000096489626 473445738 /nfs/dbraw/zinc/44/57/38/473445738.db2.gz RMUBBGWJLRIJQE-UHFFFAOYSA-N 1 2 343.378 2.583 40 0 EFABLO O=C(c1cscn1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096490119 473445928 /nfs/dbraw/zinc/44/59/28/473445928.db2.gz ZHLOQKXEHWFOKK-UHFFFAOYSA-N 1 2 338.436 2.781 40 0 EFABLO C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ncc(Br)s1 ZINC000096490315 473446160 /nfs/dbraw/zinc/44/61/60/473446160.db2.gz CUIMOOLCUHFJLU-RKDXNWHRSA-N 1 2 346.294 2.956 40 0 EFABLO CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000096490650 473446294 /nfs/dbraw/zinc/44/62/94/473446294.db2.gz LLWXRLZTRCYQPZ-OAHLLOKOSA-N 1 2 349.500 2.876 40 0 EFABLO CCCS(=O)(=O)CC[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000096490650 473446299 /nfs/dbraw/zinc/44/62/99/473446299.db2.gz LLWXRLZTRCYQPZ-OAHLLOKOSA-N 1 2 349.500 2.876 40 0 EFABLO CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000096490650 473446300 /nfs/dbraw/zinc/44/63/00/473446300.db2.gz LLWXRLZTRCYQPZ-OAHLLOKOSA-N 1 2 349.500 2.876 40 0 EFABLO CCCS(=O)(=O)CC[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000096490650 473446303 /nfs/dbraw/zinc/44/63/03/473446303.db2.gz LLWXRLZTRCYQPZ-OAHLLOKOSA-N 1 2 349.500 2.876 40 0 EFABLO Cc1[nH+]cc(CN2Cc3ccccc3C[C@@H]2C(N)=O)n1-c1ccccc1 ZINC000096489481 473446699 /nfs/dbraw/zinc/44/66/99/473446699.db2.gz NXOASXVIFUEJEI-HXUWFJFHSA-N 1 2 346.434 2.593 40 0 EFABLO O=C1[C@H]([NH+]2CCOCC2)CCCN1Cc1cccc(C(F)(F)F)c1 ZINC000096494240 473450575 /nfs/dbraw/zinc/45/05/75/473450575.db2.gz XAAWBALISBXGBC-OAHLLOKOSA-N 1 2 342.361 2.529 40 0 EFABLO Cn1cc(C[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cn1 ZINC000096502310 473454333 /nfs/dbraw/zinc/45/43/33/473454333.db2.gz INQTYCQFPDSTPL-UHFFFAOYSA-N 1 2 337.214 2.597 40 0 EFABLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cnn(C)c1 ZINC000096503152 473455517 /nfs/dbraw/zinc/45/55/17/473455517.db2.gz ZCCWYSFJOAWASL-KBPBESRZSA-N 1 2 347.488 2.631 40 0 EFABLO CS(=O)(=O)CC[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000127628966 473634649 /nfs/dbraw/zinc/63/46/49/473634649.db2.gz MWOSIXYSKDJNQC-UHFFFAOYSA-N 1 2 333.375 2.839 40 0 EFABLO CS(=O)(=O)CC[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000127628966 473634655 /nfs/dbraw/zinc/63/46/55/473634655.db2.gz MWOSIXYSKDJNQC-UHFFFAOYSA-N 1 2 333.375 2.839 40 0 EFABLO CCN(CC)C(=O)CCC1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000192353954 473672822 /nfs/dbraw/zinc/67/28/22/473672822.db2.gz WMAYZMOIRWWVBS-UHFFFAOYSA-N 1 2 339.871 2.577 40 0 EFABLO CCN(CC)C(=O)CCC1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000192353954 473672826 /nfs/dbraw/zinc/67/28/26/473672826.db2.gz WMAYZMOIRWWVBS-UHFFFAOYSA-N 1 2 339.871 2.577 40 0 EFABLO Cc1ccc(CN2CC[C@H](NC(=O)Nc3cc[nH+]cc3C)C2=O)cc1 ZINC000192387745 473676063 /nfs/dbraw/zinc/67/60/63/473676063.db2.gz RRWCENFMVNNLCU-KRWDZBQOSA-N 1 2 338.411 2.621 40 0 EFABLO NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000192462834 473682775 /nfs/dbraw/zinc/68/27/75/473682775.db2.gz HDEZCAUQXXPQBW-GOSISDBHSA-N 1 2 340.398 2.947 40 0 EFABLO Cc1ccc(OC2CC[NH+]([C@H](C)c3nc(C)cc(=O)[nH]3)CC2)nc1 ZINC000192720852 473711990 /nfs/dbraw/zinc/71/19/90/473711990.db2.gz BAMCSBABXJYIIB-CQSZACIVSA-N 1 2 328.416 2.798 40 0 EFABLO C[N@H+](CC(=O)[O-])C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000186678346 473723871 /nfs/dbraw/zinc/72/38/71/473723871.db2.gz ZITMWJULUKWIDL-UHFFFAOYSA-N 1 2 330.350 2.686 40 0 EFABLO C[N@@H+](CC(=O)[O-])C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000186678346 473723879 /nfs/dbraw/zinc/72/38/79/473723879.db2.gz ZITMWJULUKWIDL-UHFFFAOYSA-N 1 2 330.350 2.686 40 0 EFABLO Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1ccc(Cl)cn1 ZINC000180391828 473866488 /nfs/dbraw/zinc/86/64/88/473866488.db2.gz KZGORNDZLKYLLN-UHFFFAOYSA-N 1 2 343.818 2.893 40 0 EFABLO CCC1(CC)Oc2ccc(NC(=O)NCCn3cc[nH+]c3)cc2O1 ZINC000188128374 473993416 /nfs/dbraw/zinc/99/34/16/473993416.db2.gz HFXYCIGCWSFVAD-UHFFFAOYSA-N 1 2 330.388 2.992 40 0 EFABLO COCC1=CCN(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000274866923 473995565 /nfs/dbraw/zinc/99/55/65/473995565.db2.gz RMOYWTSOGYSTKT-UHFFFAOYSA-N 1 2 344.459 2.560 40 0 EFABLO c1c[nH]c([C@@H]([NH2+]C[C@@H]2COC3(CCCCCC3)O2)c2cccnc2)n1 ZINC000195102896 474006559 /nfs/dbraw/zinc/00/65/59/474006559.db2.gz HVURKGCOXYFEQW-SJORKVTESA-N 1 2 342.443 2.950 40 0 EFABLO COC[C@@H]1CCCN(c2nc(N3CCC[C@@H](COC)C3)c(C)c[nH+]2)C1 ZINC000195537341 474092107 /nfs/dbraw/zinc/09/21/07/474092107.db2.gz OGFXRFMOGSERDO-IAGOWNOFSA-N 1 2 348.491 2.511 40 0 EFABLO Cc1nscc1C(=O)N(CCC[NH+]1CCOCC1)c1ccccc1 ZINC000195557067 474094403 /nfs/dbraw/zinc/09/44/03/474094403.db2.gz URQOSGQDZANKLU-UHFFFAOYSA-N 1 2 345.468 2.821 40 0 EFABLO Cc1nc(C)c(S(=O)(=O)Nc2cccc(C[NH+](C)C)c2)s1 ZINC000195571791 474099186 /nfs/dbraw/zinc/09/91/86/474099186.db2.gz IIBMDZLSBUIGTI-UHFFFAOYSA-N 1 2 325.459 2.622 40 0 EFABLO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCn1cc[nH+]c1 ZINC000223214546 474180389 /nfs/dbraw/zinc/18/03/89/474180389.db2.gz IDKLUHYTJZDWEV-HNNXBMFYSA-N 1 2 327.428 2.736 40 0 EFABLO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCn1cc[nH+]c1 ZINC000223214481 474181073 /nfs/dbraw/zinc/18/10/73/474181073.db2.gz IDKLUHYTJZDWEV-OAHLLOKOSA-N 1 2 327.428 2.736 40 0 EFABLO CN(C)c1nc(N(C)C)c(NC(=O)Nc2cccc(Cl)c2)c[nH+]1 ZINC000224139676 474195076 /nfs/dbraw/zinc/19/50/76/474195076.db2.gz KUEIBQXJBGCPOJ-UHFFFAOYSA-N 1 2 334.811 2.906 40 0 EFABLO [NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)[N@@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247749584 474206912 /nfs/dbraw/zinc/20/69/12/474206912.db2.gz RLESGJVQEIMGDD-IEBWSBKVSA-N 1 2 340.423 2.672 40 0 EFABLO [NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247749584 474206918 /nfs/dbraw/zinc/20/69/18/474206918.db2.gz RLESGJVQEIMGDD-IEBWSBKVSA-N 1 2 340.423 2.672 40 0 EFABLO Fc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)c1 ZINC000225400331 474209492 /nfs/dbraw/zinc/20/94/92/474209492.db2.gz IECQGEIHDLMUEZ-HNNXBMFYSA-N 1 2 327.363 2.512 40 0 biogenic,in-vitro EFABLO c1cncc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCc2ccncc2)c1 ZINC000247841119 474215422 /nfs/dbraw/zinc/21/54/22/474215422.db2.gz KXYGIWAKOHNHHZ-IBGZPJMESA-N 1 2 339.439 2.674 40 0 EFABLO c1csc(C[NH+]2CC3(C2)CC[C@H](CNc2ncccn2)CO3)c1 ZINC000247855504 474216966 /nfs/dbraw/zinc/21/69/66/474216966.db2.gz XJDYKDALERWEEK-CQSZACIVSA-N 1 2 330.457 2.631 40 0 EFABLO c1ccc(-c2cccc(CNc3cc(N4CCOCC4)nc[nH+]3)c2)nc1 ZINC000225482521 474217144 /nfs/dbraw/zinc/21/71/44/474217144.db2.gz QYIRQPNTVZOWQS-UHFFFAOYSA-N 1 2 347.422 2.987 40 0 EFABLO c1ccc(-c2cccc(CNc3cc(N4CCOCC4)[nH+]cn3)c2)nc1 ZINC000225482521 474217147 /nfs/dbraw/zinc/21/71/47/474217147.db2.gz QYIRQPNTVZOWQS-UHFFFAOYSA-N 1 2 347.422 2.987 40 0 EFABLO CCS(=O)(=O)c1ccc(N2CCc3c([nH+]c(C(C)C)n3C)C2)cc1 ZINC000225518480 474221324 /nfs/dbraw/zinc/22/13/24/474221324.db2.gz YCXILXFLGFAQPV-UHFFFAOYSA-N 1 2 347.484 2.900 40 0 EFABLO COc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CCO3)c1 ZINC000247911940 474224476 /nfs/dbraw/zinc/22/44/76/474224476.db2.gz UXVOFHQBLDTCRI-SFHVURJKSA-N 1 2 340.423 2.903 40 0 EFABLO O=C(NC1(c2ccccc2F)CC1)C1CC[NH+](CC(F)F)CC1 ZINC000225559886 474224679 /nfs/dbraw/zinc/22/46/79/474224679.db2.gz QXQWGAHPWROAEY-UHFFFAOYSA-N 1 2 326.362 2.908 40 0 EFABLO c1cc(CN2Cc3c[nH+]cn3[C@@H](COc3ccccn3)C2)cs1 ZINC000247950960 474231509 /nfs/dbraw/zinc/23/15/09/474231509.db2.gz KGRJTTBWSWKCOM-MRXNPFEDSA-N 1 2 326.425 2.976 40 0 EFABLO O=C1CCCN1Cc1ccc(CNC(=S)Nc2cc[nH+]cc2)cc1 ZINC000225651320 474232439 /nfs/dbraw/zinc/23/24/39/474232439.db2.gz NPYCZZSMNKLDNF-UHFFFAOYSA-N 1 2 340.452 2.691 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2COc1ccccn1 ZINC000248070212 474255907 /nfs/dbraw/zinc/25/59/07/474255907.db2.gz YFZYXSUAGUNFHK-CQSZACIVSA-N 1 2 331.441 2.516 40 0 EFABLO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2ccncc2)CCO3)o1 ZINC000248075963 474256796 /nfs/dbraw/zinc/25/67/96/474256796.db2.gz HJPWKYYPQSPPKV-QGZVFWFLSA-N 1 2 328.412 2.933 40 0 EFABLO c1[nH+]cn2c1CN(Cc1ccc3c(c1)OCO3)C[C@@H]2COCC1CC1 ZINC000248333397 474291710 /nfs/dbraw/zinc/29/17/10/474291710.db2.gz JYVCLHRJCQNBDY-QGZVFWFLSA-N 1 2 341.411 2.595 40 0 EFABLO Cc1cccc(COc2cccc(NC(=O)[C@H]3COCC[NH2+]3)c2)c1 ZINC000237658593 474452384 /nfs/dbraw/zinc/45/23/84/474452384.db2.gz ICDHXULZCAWRSP-GOSISDBHSA-N 1 2 326.396 2.501 40 0 EFABLO COCc1noc([C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)n1 ZINC000249036147 474507337 /nfs/dbraw/zinc/50/73/37/474507337.db2.gz MPUCJLKDKXOZPJ-FGEZKYSXSA-N 1 2 339.342 2.675 40 0 EFABLO COC(=O)c1ccc(F)cc1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000241644394 474557009 /nfs/dbraw/zinc/55/70/09/474557009.db2.gz PQJZHMRIDXUOMT-UHFFFAOYSA-N 1 2 346.362 2.747 40 0 EFABLO COC(=O)c1ccc(F)cc1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000241644394 474557017 /nfs/dbraw/zinc/55/70/17/474557017.db2.gz PQJZHMRIDXUOMT-UHFFFAOYSA-N 1 2 346.362 2.747 40 0 EFABLO O=C(COCc1ccccc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000245026578 474569895 /nfs/dbraw/zinc/56/98/95/474569895.db2.gz NBDADQJAFUJWKA-UHFFFAOYSA-N 1 2 326.396 2.668 40 0 EFABLO Cc1cc([C@](C)(O)CNc2cc(N3CCSCC3)nc[nH+]2)c(C)o1 ZINC000277323767 474581939 /nfs/dbraw/zinc/58/19/39/474581939.db2.gz DLEMAGFEIDICFF-QGZVFWFLSA-N 1 2 348.472 2.559 40 0 EFABLO Cc1cc([C@](C)(O)CNc2cc(N3CCSCC3)[nH+]cn2)c(C)o1 ZINC000277323767 474581943 /nfs/dbraw/zinc/58/19/43/474581943.db2.gz DLEMAGFEIDICFF-QGZVFWFLSA-N 1 2 348.472 2.559 40 0 EFABLO COC[C@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccc(C)o1 ZINC000277750179 474595674 /nfs/dbraw/zinc/59/56/74/474595674.db2.gz JUCRKHFCLNDYGR-ZDUSSCGKSA-N 1 2 334.445 2.731 40 0 EFABLO COC[C@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccc(C)o1 ZINC000277750179 474595678 /nfs/dbraw/zinc/59/56/78/474595678.db2.gz JUCRKHFCLNDYGR-ZDUSSCGKSA-N 1 2 334.445 2.731 40 0 EFABLO C[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H](C)N1Cc1cncc(F)c1 ZINC000252489874 474675121 /nfs/dbraw/zinc/67/51/21/474675121.db2.gz KDLPMTPYGZKNFG-OKILXGFUSA-N 1 2 332.398 2.850 40 0 EFABLO C[C@@H]1C[N@H+](Cc2cncc(F)c2)C[C@H](C)N1Cc1cncc(F)c1 ZINC000252489874 474675130 /nfs/dbraw/zinc/67/51/30/474675130.db2.gz KDLPMTPYGZKNFG-OKILXGFUSA-N 1 2 332.398 2.850 40 0 EFABLO C[C@@H]1CN(Cc2cncc(F)c2)C[C@H](C)[N@H+]1Cc1cncc(F)c1 ZINC000252489874 474675138 /nfs/dbraw/zinc/67/51/38/474675138.db2.gz KDLPMTPYGZKNFG-OKILXGFUSA-N 1 2 332.398 2.850 40 0 EFABLO C[C@@H]1CN(Cc2cncc(F)c2)C[C@H](C)[N@@H+]1Cc1cncc(F)c1 ZINC000252489874 474675141 /nfs/dbraw/zinc/67/51/41/474675141.db2.gz KDLPMTPYGZKNFG-OKILXGFUSA-N 1 2 332.398 2.850 40 0 EFABLO CCc1ccc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)cc1CC ZINC000253418407 474745386 /nfs/dbraw/zinc/74/53/86/474745386.db2.gz RIHNDSPINVDMMX-ZWKOTPCHSA-N 1 2 331.460 2.748 40 0 EFABLO CCc1ccc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)cc1CC ZINC000253418407 474745398 /nfs/dbraw/zinc/74/53/98/474745398.db2.gz RIHNDSPINVDMMX-ZWKOTPCHSA-N 1 2 331.460 2.748 40 0 EFABLO Fc1cccc([C@@H]2CCCN2c2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000253417817 474745654 /nfs/dbraw/zinc/74/56/54/474745654.db2.gz JAVFFCQSJABGBF-INIZCTEOSA-N 1 2 328.391 2.794 40 0 EFABLO Fc1cccc([C@@H]2CCCN2c2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000253417817 474745663 /nfs/dbraw/zinc/74/56/63/474745663.db2.gz JAVFFCQSJABGBF-INIZCTEOSA-N 1 2 328.391 2.794 40 0 EFABLO C[C@@H]1COc2ccccc2CN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000253427673 474752798 /nfs/dbraw/zinc/75/27/98/474752798.db2.gz XSTJVIHCWNRVBN-CQSZACIVSA-N 1 2 340.427 2.640 40 0 EFABLO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@H]3COCC[NH2+]3)c2)C1 ZINC000253433613 474760125 /nfs/dbraw/zinc/76/01/25/474760125.db2.gz ZJAGHNLXZHRAQQ-FHLIZLRMSA-N 1 2 332.444 2.709 40 0 EFABLO Cc1cc(C[N@H+]2Cc3ccnn3C[C@@H](OCC3CCCC3)C2)n(C)n1 ZINC000306128589 474806970 /nfs/dbraw/zinc/80/69/70/474806970.db2.gz HFQGDVXAMZTMIL-IBGZPJMESA-N 1 2 343.475 2.516 40 0 EFABLO Cc1cc(C[N@@H+]2Cc3ccnn3C[C@@H](OCC3CCCC3)C2)n(C)n1 ZINC000306128589 474806982 /nfs/dbraw/zinc/80/69/82/474806982.db2.gz HFQGDVXAMZTMIL-IBGZPJMESA-N 1 2 343.475 2.516 40 0 EFABLO Clc1cccc(C[NH+]2CCN(c3nccn4ccnc34)CC2)c1 ZINC000306125195 474807135 /nfs/dbraw/zinc/80/71/35/474807135.db2.gz CITSOTFWEZXJDO-UHFFFAOYSA-N 1 2 327.819 2.705 40 0 EFABLO O=C(C1CC1)N1CC[C@]2(Cc3[nH+]cc(-c4ccc(F)cc4)n3C2)C1 ZINC000306132012 474810490 /nfs/dbraw/zinc/81/04/90/474810490.db2.gz KVRYMPZZXJNFNZ-IBGZPJMESA-N 1 2 325.387 2.874 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccnc(N4CCCC4)c3)C2)[nH+]1 ZINC000257279197 474926751 /nfs/dbraw/zinc/92/67/51/474926751.db2.gz OFMSRARLQRLQAK-INIZCTEOSA-N 1 2 339.443 2.733 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccnc(N4CCCC4)c3)C2)[nH+]1 ZINC000257279198 474927255 /nfs/dbraw/zinc/92/72/55/474927255.db2.gz OFMSRARLQRLQAK-MRXNPFEDSA-N 1 2 339.443 2.733 40 0 EFABLO Cc1cc2nc(C3CC[NH+](Cc4nccs4)CC3)cc(=O)n2[nH]1 ZINC000257229091 474927391 /nfs/dbraw/zinc/92/73/91/474927391.db2.gz FWQMZNIRDQAZCB-UHFFFAOYSA-N 1 2 329.429 2.579 40 0 EFABLO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000257280644 474929718 /nfs/dbraw/zinc/92/97/18/474929718.db2.gz OLROMXBYNRRFPW-CQSZACIVSA-N 1 2 336.482 2.926 40 0 EFABLO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000257280644 474929721 /nfs/dbraw/zinc/92/97/21/474929721.db2.gz OLROMXBYNRRFPW-CQSZACIVSA-N 1 2 336.482 2.926 40 0 EFABLO Cc1ccc(C[C@H]2CCC[C@@H]3CN(C(=O)c4cnn(C)c4)C[C@@H]32)[nH+]c1 ZINC000257285275 474931606 /nfs/dbraw/zinc/93/16/06/474931606.db2.gz PGKDEAPABQAAFR-GPMSIDNRSA-N 1 2 338.455 2.855 40 0 EFABLO CCCOC1CCN(C(=O)c2cncc(-c3ccc(N)[nH+]c3)c2)CC1 ZINC000257283884 474931748 /nfs/dbraw/zinc/93/17/48/474931748.db2.gz PAHSQWPILXVCKF-UHFFFAOYSA-N 1 2 340.427 2.757 40 0 EFABLO CN(C(=O)CCc1cc(Cl)no1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257288580 474933863 /nfs/dbraw/zinc/93/38/63/474933863.db2.gz PUVNNJDYUPNZCG-CYBMUJFWSA-N 1 2 348.834 2.783 40 0 EFABLO CN(C(=O)c1n[nH]c2ccccc21)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257288803 474935364 /nfs/dbraw/zinc/93/53/64/474935364.db2.gz PVTWZDRBSIMKCF-CQSZACIVSA-N 1 2 335.411 2.699 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)cc[nH+]1 ZINC000257295207 474937155 /nfs/dbraw/zinc/93/71/55/474937155.db2.gz QXKVZVFWXNEHGM-OAHLLOKOSA-N 1 2 339.395 2.872 40 0 EFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H](c2cncc(C)n2)C1 ZINC000257296981 474938962 /nfs/dbraw/zinc/93/89/62/474938962.db2.gz RFGGRQNVZOGJEH-INIZCTEOSA-N 1 2 349.438 2.690 40 0 EFABLO Cc1ccsc1C(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257300418 474941419 /nfs/dbraw/zinc/94/14/19/474941419.db2.gz RUEJDKNBFJBEQK-GOSISDBHSA-N 1 2 345.468 2.555 40 0 EFABLO c1ccc(N2CC[NH+](Cc3ccnc([C@H]4CCCOC4)n3)CC2)cc1 ZINC000257303483 474942267 /nfs/dbraw/zinc/94/22/67/474942267.db2.gz SHLFBVWIHODBRO-KRWDZBQOSA-N 1 2 338.455 2.693 40 0 EFABLO CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257304065 474942379 /nfs/dbraw/zinc/94/23/79/474942379.db2.gz SJXSXBDBFVXQSS-CQSZACIVSA-N 1 2 341.459 2.843 40 0 EFABLO Cc1cn(C)c([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257305459 474943797 /nfs/dbraw/zinc/94/37/97/474943797.db2.gz SQCUHHLSBWATAO-KRWDZBQOSA-N 1 2 337.427 2.692 40 0 EFABLO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257305459 474943807 /nfs/dbraw/zinc/94/38/07/474943807.db2.gz SQCUHHLSBWATAO-KRWDZBQOSA-N 1 2 337.427 2.692 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)CCc2cccnc2)CC[N@@H+]1C ZINC000257308277 474945585 /nfs/dbraw/zinc/94/55/85/474945585.db2.gz TWDJFUOTZWBFDA-GOSISDBHSA-N 1 2 339.439 2.538 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)CCc2cccnc2)CC[N@H+]1C ZINC000257308277 474945592 /nfs/dbraw/zinc/94/55/92/474945592.db2.gz TWDJFUOTZWBFDA-GOSISDBHSA-N 1 2 339.439 2.538 40 0 EFABLO Cn1c[nH+]cc1-c1cc([C@@H]2CCCN2C(=O)c2ccccn2)ccn1 ZINC000257317212 474949940 /nfs/dbraw/zinc/94/99/40/474949940.db2.gz VIVLKRIQHXNCLA-KRWDZBQOSA-N 1 2 333.395 2.854 40 0 EFABLO Cc1ncc(-c2nccnc2[C@@H]2CCCN(c3cccc[nH+]3)C2)n1C ZINC000257315049 474950411 /nfs/dbraw/zinc/95/04/11/474950411.db2.gz UZRZFYZDUASONR-OAHLLOKOSA-N 1 2 334.427 2.965 40 0 EFABLO Cc1noc(C)c1CC(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257319871 474950784 /nfs/dbraw/zinc/95/07/84/474950784.db2.gz VUJUPLRPXYYGDN-QGZVFWFLSA-N 1 2 336.395 2.814 40 0 EFABLO Cc1cc2nc(C3CC[NH+](Cc4ccc(F)cn4)CC3)cc(=O)n2[nH]1 ZINC000257319627 474952087 /nfs/dbraw/zinc/95/20/87/474952087.db2.gz VTIQVGSETFBKOH-UHFFFAOYSA-N 1 2 341.390 2.657 40 0 EFABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCc3nc4ccccc4[nH]3)C2)[nH+]1 ZINC000257321411 474953325 /nfs/dbraw/zinc/95/33/25/474953325.db2.gz WBOIMLBFNFZIQL-AWEZNQCLSA-N 1 2 337.427 2.554 40 0 EFABLO Cc1nc(C[N@@H+]2CCOC[C@@H](Cc3nccn4cccc34)C2)cs1 ZINC000257324221 474954823 /nfs/dbraw/zinc/95/48/23/474954823.db2.gz WNSPLYMZWHVUQN-HNNXBMFYSA-N 1 2 342.468 2.790 40 0 EFABLO Cc1nc(C[N@H+]2CCOC[C@@H](Cc3nccn4cccc34)C2)cs1 ZINC000257324221 474954830 /nfs/dbraw/zinc/95/48/30/474954830.db2.gz WNSPLYMZWHVUQN-HNNXBMFYSA-N 1 2 342.468 2.790 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)c3cc(C)c(C)[nH]c3=O)C2)cc[nH+]1 ZINC000257325302 474955843 /nfs/dbraw/zinc/95/58/43/474955843.db2.gz WSIMWDSVCBTTMV-OAHLLOKOSA-N 1 2 340.427 2.861 40 0 EFABLO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@@H+]2Cc2cncnc2)n1 ZINC000257330821 474957073 /nfs/dbraw/zinc/95/70/73/474957073.db2.gz XQEYCBWUNNNNFP-INIZCTEOSA-N 1 2 336.399 2.876 40 0 EFABLO Cc1noc(C)c1-c1nccc([C@@H]2CCC[N@H+]2Cc2cncnc2)n1 ZINC000257330821 474957080 /nfs/dbraw/zinc/95/70/80/474957080.db2.gz XQEYCBWUNNNNFP-INIZCTEOSA-N 1 2 336.399 2.876 40 0 EFABLO Cc1nccc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257327893 474957597 /nfs/dbraw/zinc/95/75/97/474957597.db2.gz XDFCSXSEZOTMLI-SFHVURJKSA-N 1 2 335.411 2.749 40 0 EFABLO Cc1nccc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257327893 474957599 /nfs/dbraw/zinc/95/75/99/474957599.db2.gz XDFCSXSEZOTMLI-SFHVURJKSA-N 1 2 335.411 2.749 40 0 EFABLO CCc1nnsc1C(=O)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257329643 474958004 /nfs/dbraw/zinc/95/80/04/474958004.db2.gz XKVFGICKNODGEJ-CQSZACIVSA-N 1 2 339.424 2.694 40 0 EFABLO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCC[N@@H+]2Cc2ccccc2)n1 ZINC000257337958 474960771 /nfs/dbraw/zinc/96/07/71/474960771.db2.gz YVFQCLDKKLNPEF-HXUWFJFHSA-N 1 2 338.455 2.998 40 0 EFABLO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000257337958 474960782 /nfs/dbraw/zinc/96/07/82/474960782.db2.gz YVFQCLDKKLNPEF-HXUWFJFHSA-N 1 2 338.455 2.998 40 0 EFABLO Cc1cc(N[C@H](CO)c2c(F)cccc2F)nc(-c2cccnc2)[nH+]1 ZINC000341506718 475099611 /nfs/dbraw/zinc/09/96/11/475099611.db2.gz UTIJIJXVSAIRCC-OAHLLOKOSA-N 1 2 342.349 3.271 40 0 EFABLO C[C@@H](O)[C@H]1CCN(c2cc(N3Cc4ccc(Cl)cc4C3)nc[nH+]2)C1 ZINC000334136618 476123077 /nfs/dbraw/zinc/12/30/77/476123077.db2.gz YWYNIQSPVMFKKC-OLZOCXBDSA-N 1 2 344.846 2.857 40 0 EFABLO C[C@@H](O)[C@H]1CCN(c2cc(N3Cc4ccc(Cl)cc4C3)[nH+]cn2)C1 ZINC000334136618 476123085 /nfs/dbraw/zinc/12/30/85/476123085.db2.gz YWYNIQSPVMFKKC-OLZOCXBDSA-N 1 2 344.846 2.857 40 0 EFABLO CCn1c(SCc2cc[nH+]c(N)c2)nc2ccc(F)cc2c1=O ZINC000390835508 476806536 /nfs/dbraw/zinc/80/65/36/476806536.db2.gz OVVRVBMTNNBDMX-UHFFFAOYSA-N 1 2 330.388 2.825 40 0 EFABLO CCOc1ccc(NC(=O)[C@@H](C)N2CCn3c(C)c(C)[nH+]c3C2)cc1 ZINC000376483947 477356076 /nfs/dbraw/zinc/35/60/76/477356076.db2.gz KGDHPZKMSLNOEX-OAHLLOKOSA-N 1 2 342.443 2.741 40 0 EFABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000514288585 479020749 /nfs/dbraw/zinc/02/07/49/479020749.db2.gz FAYABNIZJDVMAB-AEFFLSMTSA-N 1 2 344.361 2.682 40 0 biogenic,in-vitro EFABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]21 ZINC000514288585 479020753 /nfs/dbraw/zinc/02/07/53/479020753.db2.gz FAYABNIZJDVMAB-AEFFLSMTSA-N 1 2 344.361 2.682 40 0 biogenic,in-vitro EFABLO O=C([O-])C[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514289187 479021137 /nfs/dbraw/zinc/02/11/37/479021137.db2.gz JBTDWEOFYJQIQJ-GJZGRUSLSA-N 1 2 327.428 2.928 40 0 biogenic,in-vitro EFABLO O=C([O-])C[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514289187 479021143 /nfs/dbraw/zinc/02/11/43/479021143.db2.gz JBTDWEOFYJQIQJ-GJZGRUSLSA-N 1 2 327.428 2.928 40 0 biogenic,in-vitro EFABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)n(C)n1 ZINC000585095076 479280242 /nfs/dbraw/zinc/28/02/42/479280242.db2.gz CYORFKAYAUFLSE-SFHVURJKSA-N 1 2 342.487 2.979 40 0 EFABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)n(C)n1 ZINC000585095076 479280248 /nfs/dbraw/zinc/28/02/48/479280248.db2.gz CYORFKAYAUFLSE-SFHVURJKSA-N 1 2 342.487 2.979 40 0 EFABLO CCOCCc1c[nH+]c2n1CCN(Cc1ccc(CO)cc1)[C@H]2C ZINC000585097532 479281368 /nfs/dbraw/zinc/28/13/68/479281368.db2.gz LEBAGIDMXFOENU-HNNXBMFYSA-N 1 2 329.444 2.531 40 0 EFABLO C[C@H]1c2[nH+]cc(CCOCC3CCC3)n2CCN1Cc1cn[nH]c1 ZINC000585096822 479281795 /nfs/dbraw/zinc/28/17/95/479281795.db2.gz BGNYIQXHXWXRJZ-AWEZNQCLSA-N 1 2 329.448 2.542 40 0 EFABLO C[C@H]1c2ncc(CCOCC3CCC3)n2CC[N@H+]1Cc1cn[nH]c1 ZINC000585096822 479281803 /nfs/dbraw/zinc/28/18/03/479281803.db2.gz BGNYIQXHXWXRJZ-AWEZNQCLSA-N 1 2 329.448 2.542 40 0 EFABLO C[C@H]1c2ncc(CCOCC3CCC3)n2CC[N@@H+]1Cc1cn[nH]c1 ZINC000585096822 479281808 /nfs/dbraw/zinc/28/18/08/479281808.db2.gz BGNYIQXHXWXRJZ-AWEZNQCLSA-N 1 2 329.448 2.542 40 0 EFABLO COCCc1c[nH+]c2n1CCN(C(=O)CCc1ccccc1C)[C@@H]2C ZINC000585098748 479283616 /nfs/dbraw/zinc/28/36/16/479283616.db2.gz YWCNLOFVUIMJBZ-MRXNPFEDSA-N 1 2 341.455 2.916 40 0 EFABLO O=C(NC[C@H]1CCC2(C[NH+](Cc3ccsc3)C2)OC1)N1CCCC1 ZINC000585103630 479284444 /nfs/dbraw/zinc/28/44/44/479284444.db2.gz CBMBRKNJPKSFJS-OAHLLOKOSA-N 1 2 349.500 2.535 40 0 EFABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2C[C@H]2C)CC3)c1 ZINC000585111379 479287762 /nfs/dbraw/zinc/28/77/62/479287762.db2.gz RKZXWJURPUXEGZ-RHSMWYFYSA-N 1 2 339.439 2.737 40 0 EFABLO O=C(N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)c1noc2c1CCCC2 ZINC000585124088 479293242 /nfs/dbraw/zinc/29/32/42/479293242.db2.gz ORKFKYDCWKKRJO-OAHLLOKOSA-N 1 2 340.358 2.935 40 0 EFABLO Cc1c[nH]c(-c2ccc(NC(=O)[C@H](C)OC[C@H]3CCCO3)cc2)[nH+]1 ZINC000585140639 479297103 /nfs/dbraw/zinc/29/71/03/479297103.db2.gz IDPSYLFOFNMTSA-XJKSGUPXSA-N 1 2 329.400 2.908 40 0 EFABLO Cc1c[nH]c(-c2ccc(NC(=O)[C@@H](C)OC[C@H]3CCCO3)cc2)[nH+]1 ZINC000585140637 479297568 /nfs/dbraw/zinc/29/75/68/479297568.db2.gz IDPSYLFOFNMTSA-CZUORRHYSA-N 1 2 329.400 2.908 40 0 EFABLO Cn1ncc2c1nc[nH+]c2N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000585142528 479299973 /nfs/dbraw/zinc/29/99/73/479299973.db2.gz YAUUYBBPXLKUQZ-UHFFFAOYSA-N 1 2 347.426 2.699 40 0 EFABLO Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000585182306 479301710 /nfs/dbraw/zinc/30/17/10/479301710.db2.gz NJWKNWFJWORQAP-MRXNPFEDSA-N 1 2 342.443 2.746 40 0 EFABLO CC(C)n1ccnc1C[N@@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585269232 479303214 /nfs/dbraw/zinc/30/32/14/479303214.db2.gz MDETVCCJHICXLG-LJQANCHMSA-N 1 2 329.444 2.870 40 0 EFABLO CC(C)n1ccnc1C[N@H+]1CCC[C@](O)(COc2ccccc2)C1 ZINC000585269232 479303220 /nfs/dbraw/zinc/30/32/20/479303220.db2.gz MDETVCCJHICXLG-LJQANCHMSA-N 1 2 329.444 2.870 40 0 EFABLO CO[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1Cc1ccccc1F ZINC000585280179 479308441 /nfs/dbraw/zinc/30/84/41/479308441.db2.gz ZFUAIBRALVOIJM-AEFFLSMTSA-N 1 2 345.418 2.519 40 0 EFABLO CS(=O)(=O)c1ccc(-c2ccc(NC[C@@H]3CCCO3)[nH+]c2)cc1 ZINC000629728685 480374530 /nfs/dbraw/zinc/37/45/30/480374530.db2.gz CGCWOFLEAUBBHM-HNNXBMFYSA-N 1 2 332.425 2.743 40 0 EFABLO CC(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1O ZINC000646602991 481398611 /nfs/dbraw/zinc/39/86/11/481398611.db2.gz OYCBYROXOGHRTJ-SFHVURJKSA-N 1 2 338.407 2.724 40 0 EFABLO CC(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1O ZINC000646602991 481398616 /nfs/dbraw/zinc/39/86/16/481398616.db2.gz OYCBYROXOGHRTJ-SFHVURJKSA-N 1 2 338.407 2.724 40 0 EFABLO CC(=O)N1CC[N@@H+](Cc2ccnn2C(C)C)[C@@H](c2ccccc2)C1 ZINC000257270383 534794884 /nfs/dbraw/zinc/79/48/84/534794884.db2.gz MUAHWUGQLNEGNF-LJQANCHMSA-N 1 2 326.444 2.869 40 0 EFABLO CC(=O)N1CC[N@H+](Cc2ccnn2C(C)C)[C@@H](c2ccccc2)C1 ZINC000257270383 534794889 /nfs/dbraw/zinc/79/48/89/534794889.db2.gz MUAHWUGQLNEGNF-LJQANCHMSA-N 1 2 326.444 2.869 40 0 EFABLO CC(C)(C)c1nc(CN2CC[NH+](Cc3ccnc(N)c3)CC2)cs1 ZINC000193311914 534898441 /nfs/dbraw/zinc/89/84/41/534898441.db2.gz HOQCFPUWCUJXAO-UHFFFAOYSA-N 1 2 345.516 2.736 40 0 EFABLO Cc1[nH]nc(C(C)C)c1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000157997171 526481826 /nfs/dbraw/zinc/48/18/26/526481826.db2.gz OETGIKBCCKATPH-UHFFFAOYSA-N 1 2 344.434 2.939 40 0 EFABLO Brc1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)o1 ZINC000191477435 526641206 /nfs/dbraw/zinc/64/12/06/526641206.db2.gz UENVBZKIXDJODL-UHFFFAOYSA-N 1 2 330.222 2.671 40 0 EFABLO Brc1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)o1 ZINC000191477435 526641216 /nfs/dbraw/zinc/64/12/16/526641216.db2.gz UENVBZKIXDJODL-UHFFFAOYSA-N 1 2 330.222 2.671 40 0 EFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCOc2ccccc2C1 ZINC000363375436 526741970 /nfs/dbraw/zinc/74/19/70/526741970.db2.gz WLBYJANTKOBMNB-UHFFFAOYSA-N 1 2 348.406 2.977 40 0 EFABLO CCCCc1[nH]c(CN2CCO[C@H](c3cccc(N(C)C)n3)C2)c[nH+]1 ZINC000257226332 535101791 /nfs/dbraw/zinc/10/17/91/535101791.db2.gz FKGGJPBRPMDZCK-KRWDZBQOSA-N 1 2 343.475 2.787 40 0 EFABLO CCCCc1[nH]cc(CN2CCO[C@H](c3cccc(N(C)C)n3)C2)[nH+]1 ZINC000257226332 535101794 /nfs/dbraw/zinc/10/17/94/535101794.db2.gz FKGGJPBRPMDZCK-KRWDZBQOSA-N 1 2 343.475 2.787 40 0 EFABLO CCCCc1[nH]c(CN2CCO[C@@H](c3cccc(N(C)C)n3)C2)c[nH+]1 ZINC000257226333 535102460 /nfs/dbraw/zinc/10/24/60/535102460.db2.gz FKGGJPBRPMDZCK-QGZVFWFLSA-N 1 2 343.475 2.787 40 0 EFABLO CCCCc1[nH]cc(CN2CCO[C@@H](c3cccc(N(C)C)n3)C2)[nH+]1 ZINC000257226333 535102464 /nfs/dbraw/zinc/10/24/64/535102464.db2.gz FKGGJPBRPMDZCK-QGZVFWFLSA-N 1 2 343.475 2.787 40 0 EFABLO CCCCc1[nH]c(CN2CCO[C@H](c3cc(C)nc(C)n3)C2)c[nH+]1 ZINC000257220630 535102789 /nfs/dbraw/zinc/10/27/89/535102789.db2.gz DLNQGAQLMFMGDY-KRWDZBQOSA-N 1 2 329.448 2.733 40 0 EFABLO CCCCc1[nH]cc(CN2CCO[C@H](c3cc(C)nc(C)n3)C2)[nH+]1 ZINC000257220630 535102793 /nfs/dbraw/zinc/10/27/93/535102793.db2.gz DLNQGAQLMFMGDY-KRWDZBQOSA-N 1 2 329.448 2.733 40 0 EFABLO CC(C)=CCC[C@@H](C)CC[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000193234894 535359556 /nfs/dbraw/zinc/35/95/56/535359556.db2.gz QELFZLRTMAEYKL-MSOLQXFVSA-N 1 2 342.549 2.564 40 0 EFABLO O=S1(=O)CC[C@]2(C1)CCC[N@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000828395663 1267737104 /nfs/dbraw/zinc/73/71/04/1267737104.db2.gz VVXPMCBSWLQVDB-GOSISDBHSA-N 1 2 346.452 2.742 40 0 EFABLO O=S1(=O)CC[C@]2(C1)CCC[N@@H+](Cc1cnc(-c3ccccc3)o1)C2 ZINC000828395663 1267737111 /nfs/dbraw/zinc/73/71/11/1267737111.db2.gz VVXPMCBSWLQVDB-GOSISDBHSA-N 1 2 346.452 2.742 40 0 EFABLO Cc1nn(C)c(C)c1C[N@H+](C)Cc1ncc(Br)cc1O ZINC000891898062 715102589 /nfs/dbraw/zinc/10/25/89/715102589.db2.gz CHBBXQRDIRUZPR-UHFFFAOYSA-N 1 2 339.237 2.532 40 0 EFABLO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ncc(Br)cc1O ZINC000891898062 715102591 /nfs/dbraw/zinc/10/25/91/715102591.db2.gz CHBBXQRDIRUZPR-UHFFFAOYSA-N 1 2 339.237 2.532 40 0 EFABLO Cc1cc(NCc2ccc(S(N)(=O)=O)cc2C)nc(C2CCC2)[nH+]1 ZINC000893536389 716822501 /nfs/dbraw/zinc/82/25/01/716822501.db2.gz VCFVDXXQVTVQND-UHFFFAOYSA-N 1 2 346.456 2.620 40 0 EFABLO Cn1ncc2c1nc[nH+]c2N[C@H](CO)c1ccccc1C(F)(F)F ZINC000896649172 723418922 /nfs/dbraw/zinc/41/89/22/723418922.db2.gz AZIMBNPEURGPLO-GFCCVEGCSA-N 1 2 337.305 2.528 40 0 EFABLO O=S(=O)(/C=C/c1ccccc1)NCC[N@@H+]1CCc2sccc2C1 ZINC000053685930 214194014 /nfs/dbraw/zinc/19/40/14/214194014.db2.gz JBFHUBKWMALJLT-MDWZMJQESA-N 1 2 348.493 2.697 40 0 EFABLO O=S(=O)(/C=C/c1ccccc1)NCC[N@H+]1CCc2sccc2C1 ZINC000053685930 214194016 /nfs/dbraw/zinc/19/40/16/214194016.db2.gz JBFHUBKWMALJLT-MDWZMJQESA-N 1 2 348.493 2.697 40 0 EFABLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000056316958 214369078 /nfs/dbraw/zinc/36/90/78/214369078.db2.gz OUXHUTINQSOENI-GFCCVEGCSA-N 1 2 348.403 2.819 40 0 EFABLO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000056316958 214369081 /nfs/dbraw/zinc/36/90/81/214369081.db2.gz OUXHUTINQSOENI-GFCCVEGCSA-N 1 2 348.403 2.819 40 0 EFABLO Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066871713 215088297 /nfs/dbraw/zinc/08/82/97/215088297.db2.gz PHTJMWIUGGLFQO-UHFFFAOYSA-N 1 2 345.399 2.798 40 0 EFABLO COc1ccccc1S(=O)(=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000102697566 219223606 /nfs/dbraw/zinc/22/36/06/219223606.db2.gz RJYVZNPLAJYFJD-UHFFFAOYSA-N 1 2 329.381 2.886 40 0 EFABLO O[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000067227734 215125494 /nfs/dbraw/zinc/12/54/94/215125494.db2.gz WYBSAEPJYOAJIU-PXNSSMCTSA-N 1 2 345.414 2.777 40 0 EFABLO O[C@H](COCc1ccccc1)C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000067227734 215125496 /nfs/dbraw/zinc/12/54/96/215125496.db2.gz WYBSAEPJYOAJIU-PXNSSMCTSA-N 1 2 345.414 2.777 40 0 EFABLO O=C(Nc1nc(C[NH+]2CCCC2)cs1)c1ccc2[nH]cnc2c1 ZINC000040460763 213306954 /nfs/dbraw/zinc/30/69/54/213306954.db2.gz YVFRWPSNIBWKQN-UHFFFAOYSA-N 1 2 327.413 2.868 40 0 EFABLO O=C(N[C@@H]1CCc2ccccc21)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000040047382 213254178 /nfs/dbraw/zinc/25/41/78/213254178.db2.gz BSIJBQIVZGAINF-HXUWFJFHSA-N 1 2 336.435 2.936 40 0 EFABLO COC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000038834556 213228080 /nfs/dbraw/zinc/22/80/80/213228080.db2.gz QFYYJVJNWMOHFL-UHFFFAOYSA-N 1 2 335.363 2.970 40 0 EFABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ccc(O)cc2O)CC1 ZINC000184373701 235380456 /nfs/dbraw/zinc/38/04/56/235380456.db2.gz SIFMCJZUHBRHHM-GFCCVEGCSA-N 1 2 332.425 2.678 40 0 EFABLO O=C(Cc1ccc(F)cc1)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000035670770 213045174 /nfs/dbraw/zinc/04/51/74/213045174.db2.gz CDHUVURBDXVMRV-UHFFFAOYSA-N 1 2 328.387 2.839 40 0 EFABLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1 ZINC000072239155 216078428 /nfs/dbraw/zinc/07/84/28/216078428.db2.gz OSRXBSSPFSVIMY-UHFFFAOYSA-N 1 2 345.428 2.759 40 0 EFABLO O=C(NCC[NH+]1CCOCC1)c1cccc(-c2ccc(F)cc2)c1 ZINC000072243323 216082752 /nfs/dbraw/zinc/08/27/52/216082752.db2.gz XGCRSVPDTWJOPI-UHFFFAOYSA-N 1 2 328.387 2.555 40 0 EFABLO Fc1cccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000072322079 216150182 /nfs/dbraw/zinc/15/01/82/216150182.db2.gz DMZVMTIHDSDGER-KRWDZBQOSA-N 1 2 331.391 2.768 40 0 biogenic,in-vitro EFABLO Fc1cccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCOCC3)n2)c1 ZINC000072322079 216150185 /nfs/dbraw/zinc/15/01/85/216150185.db2.gz DMZVMTIHDSDGER-KRWDZBQOSA-N 1 2 331.391 2.768 40 0 biogenic,in-vitro EFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccco2)C3)C1 ZINC000072335607 216156874 /nfs/dbraw/zinc/15/68/74/216156874.db2.gz KYPKYHBJKOIZOA-CYBMUJFWSA-N 1 2 328.416 2.570 40 0 EFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccco2)C3)C1 ZINC000072335607 216156878 /nfs/dbraw/zinc/15/68/78/216156878.db2.gz KYPKYHBJKOIZOA-CYBMUJFWSA-N 1 2 328.416 2.570 40 0 EFABLO CCCc1ncc(C[N@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)cn1 ZINC000072343274 216159420 /nfs/dbraw/zinc/15/94/20/216159420.db2.gz JQZFTKFNBARSGJ-ZWKOTPCHSA-N 1 2 336.439 2.972 40 0 EFABLO CCCc1ncc(C[N@@H+]2C[C@@H]3C(c4ccc(C)cc4)=NO[C@@H]3C2)cn1 ZINC000072343274 216159424 /nfs/dbraw/zinc/15/94/24/216159424.db2.gz JQZFTKFNBARSGJ-ZWKOTPCHSA-N 1 2 336.439 2.972 40 0 EFABLO O=C(C1CCCC1)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350666 216162052 /nfs/dbraw/zinc/16/20/52/216162052.db2.gz HKQHDKZFTVBBKC-OAHLLOKOSA-N 1 2 325.416 2.559 40 0 EFABLO CN(C)C(=O)CCc1cccc([C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000072360489 216167684 /nfs/dbraw/zinc/16/76/84/216167684.db2.gz OIYLSLXEVPFQRJ-MRXNPFEDSA-N 1 2 338.455 2.881 40 0 EFABLO O=C(Cc1ccccc1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355346 216163413 /nfs/dbraw/zinc/16/34/13/216163413.db2.gz WWYDZXLVEWRYSC-KRWDZBQOSA-N 1 2 347.422 2.611 40 0 EFABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2cc[nH]n2)n1 ZINC000072379002 216180792 /nfs/dbraw/zinc/18/07/92/216180792.db2.gz TVCBKCGNBXVHBZ-OAHLLOKOSA-N 1 2 336.399 2.530 40 0 EFABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccn[nH]2)n1 ZINC000072379002 216180795 /nfs/dbraw/zinc/18/07/95/216180795.db2.gz TVCBKCGNBXVHBZ-OAHLLOKOSA-N 1 2 336.399 2.530 40 0 EFABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072378422 216180840 /nfs/dbraw/zinc/18/08/40/216180840.db2.gz FOLAZZGGQBMKQH-INIZCTEOSA-N 1 2 348.410 2.597 40 0 EFABLO COCC(=O)N1CCC(c2cccc(-n3cc[nH+]c3C(C)C)n2)CC1 ZINC000072378459 216181539 /nfs/dbraw/zinc/18/15/39/216181539.db2.gz SSWLDCOUPSNHOF-UHFFFAOYSA-N 1 2 342.443 2.743 40 0 EFABLO COCC(=O)N1CCC[C@H]1c1cccc(-n2cc[nH+]c2C(C)C)n1 ZINC000072378907 216181679 /nfs/dbraw/zinc/18/16/79/216181679.db2.gz MFPVWZQETIJHDK-HNNXBMFYSA-N 1 2 328.416 2.701 40 0 EFABLO Cc1cc(Nc2cc(C)nc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)no1 ZINC000072382604 216183058 /nfs/dbraw/zinc/18/30/58/216183058.db2.gz WMMPJMWCISOMKD-CYBMUJFWSA-N 1 2 339.403 2.538 40 0 EFABLO Cc1cc(Nc2cc(C)nc([C@@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)no1 ZINC000072382604 216183060 /nfs/dbraw/zinc/18/30/60/216183060.db2.gz WMMPJMWCISOMKD-CYBMUJFWSA-N 1 2 339.403 2.538 40 0 EFABLO CCc1cc(CNc2cc([C@H]3C[N@@H+](C(C)C)CCO3)nc(C)n2)on1 ZINC000072387930 216188343 /nfs/dbraw/zinc/18/83/43/216188343.db2.gz FFWUZTACWNUGDN-QGZVFWFLSA-N 1 2 345.447 2.729 40 0 EFABLO CCc1cc(CNc2cc([C@H]3C[N@H+](C(C)C)CCO3)nc(C)n2)on1 ZINC000072387930 216188346 /nfs/dbraw/zinc/18/83/46/216188346.db2.gz FFWUZTACWNUGDN-QGZVFWFLSA-N 1 2 345.447 2.729 40 0 EFABLO Cc1cc(-c2snnc2[C@@H]2CCCN(Cc3[nH]cc[nH+]3)C2)on1 ZINC000072396706 216193352 /nfs/dbraw/zinc/19/33/52/216193352.db2.gz JXTXKIPJRDZUNB-LLVKDONJSA-N 1 2 330.417 2.604 40 0 EFABLO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)on1 ZINC000072396706 216193354 /nfs/dbraw/zinc/19/33/54/216193354.db2.gz JXTXKIPJRDZUNB-LLVKDONJSA-N 1 2 330.417 2.604 40 0 EFABLO Cc1cc(-c2snnc2[C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)on1 ZINC000072396706 216193357 /nfs/dbraw/zinc/19/33/57/216193357.db2.gz JXTXKIPJRDZUNB-LLVKDONJSA-N 1 2 330.417 2.604 40 0 EFABLO O=C(C[N@@H+]1CC[C@H](CSc2ccccc2)C1)Nc1nncs1 ZINC000072798796 216306640 /nfs/dbraw/zinc/30/66/40/216306640.db2.gz QLDRGVWNCBSBLR-LBPRGKRZSA-N 1 2 334.470 2.591 40 0 EFABLO O=C(C[N@H+]1CC[C@H](CSc2ccccc2)C1)Nc1nncs1 ZINC000072798796 216306643 /nfs/dbraw/zinc/30/66/43/216306643.db2.gz QLDRGVWNCBSBLR-LBPRGKRZSA-N 1 2 334.470 2.591 40 0 EFABLO O=C(Cn1cc[nH+]c1)NCC1(c2ccc(Br)cc2)CCC1 ZINC000073025583 216342135 /nfs/dbraw/zinc/34/21/35/216342135.db2.gz YLGRUHSEABULCN-UHFFFAOYSA-N 1 2 348.244 2.884 40 0 EFABLO c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@@H]3C[C@H]4CC[C@@H]3O4)n2)c1 ZINC000073335340 216379365 /nfs/dbraw/zinc/37/93/65/216379365.db2.gz AACUPBOYYILZEI-ZACQAIPSSA-N 1 2 341.411 2.604 40 0 EFABLO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000023249186 212363495 /nfs/dbraw/zinc/36/34/95/212363495.db2.gz ANZQFZAIKHWDMD-UHFFFAOYSA-N 1 2 329.469 2.813 40 0 EFABLO O=C(C[N@@H+]1CCC[C@H](C(F)(F)F)C1)NCc1cc(F)cc(F)c1 ZINC000193700797 240273191 /nfs/dbraw/zinc/27/31/91/240273191.db2.gz UNLFPOWIZXKGEI-NSHDSACASA-N 1 2 336.304 2.855 40 0 EFABLO O=C(C[N@H+]1CCC[C@H](C(F)(F)F)C1)NCc1cc(F)cc(F)c1 ZINC000193700797 240273194 /nfs/dbraw/zinc/27/31/94/240273194.db2.gz UNLFPOWIZXKGEI-NSHDSACASA-N 1 2 336.304 2.855 40 0 EFABLO Cc1ccccc1-c1noc(CNC(=S)Nc2cc[nH+]cc2)n1 ZINC000225829568 242054229 /nfs/dbraw/zinc/05/42/29/242054229.db2.gz KLFNZCRFKRVMPB-UHFFFAOYSA-N 1 2 325.397 2.927 40 0 EFABLO Cc1nc2sc3c(c2c(NCC[NH+]2CCOCC2)n1)CCCC3 ZINC000021548856 212231545 /nfs/dbraw/zinc/23/15/45/212231545.db2.gz IZERSQCRIGHJKQ-UHFFFAOYSA-N 1 2 332.473 2.623 40 0 EFABLO CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)n3C)CC2)cc1 ZINC000021476425 212226212 /nfs/dbraw/zinc/22/62/12/212226212.db2.gz YUFJOTQANOXSIZ-UHFFFAOYSA-N 1 2 341.455 2.690 40 0 EFABLO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(c2nccs2)CC1 ZINC000021335046 212221280 /nfs/dbraw/zinc/22/12/80/212221280.db2.gz MNRGVHHEFHLAAC-LSDHHAIUSA-N 1 2 344.484 2.531 40 0 EFABLO CCc1[nH+]c2ccccc2n1CC(=O)NCCCn1nc(C)cc1C ZINC000020918632 212187965 /nfs/dbraw/zinc/18/79/65/212187965.db2.gz BVMRPDAUEZARMN-UHFFFAOYSA-N 1 2 339.443 2.619 40 0 EFABLO O[C@H](C[C@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)c1ccco1 ZINC000241776884 243000954 /nfs/dbraw/zinc/00/09/54/243000954.db2.gz RTINWWJNGQJVIS-IAGOWNOFSA-N 1 2 338.411 2.948 40 0 EFABLO O[C@H](C[C@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)c1ccco1 ZINC000241776884 243000959 /nfs/dbraw/zinc/00/09/59/243000959.db2.gz RTINWWJNGQJVIS-IAGOWNOFSA-N 1 2 338.411 2.948 40 0 EFABLO CCOc1cccc(S(=O)(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000241795508 243003496 /nfs/dbraw/zinc/00/34/96/243003496.db2.gz RZTXPHGPBDLKFO-PBHICJAKSA-N 1 2 349.456 2.554 40 0 EFABLO CCCCN1CNC(Nc2nc(C)c3cc(C)cc(C)c3n2)=[NH+]C1 ZINC000020634430 212158158 /nfs/dbraw/zinc/15/81/58/212158158.db2.gz GVAGFTNZOOHUIL-UHFFFAOYSA-N 1 2 326.448 2.943 40 0 EFABLO c1csc(C[NH+]2CC3(C2)C[C@@H](OCc2ccncc2)CS3)n1 ZINC000253596292 244030758 /nfs/dbraw/zinc/03/07/58/244030758.db2.gz PLUXXBPMSFABLK-CQSZACIVSA-N 1 2 333.482 2.815 40 0 EFABLO Cc1cnc(NCC[C@H]2CCOC23C[NH+](Cc2ccsc2)C3)nc1 ZINC000253600094 244032397 /nfs/dbraw/zinc/03/23/97/244032397.db2.gz DPKZFZTWPKUYTH-INIZCTEOSA-N 1 2 344.484 2.940 40 0 EFABLO c1ccc(OCC[C@@H]2CCOC23C[NH+](Cc2cccnc2)C3)nc1 ZINC000253601705 244034802 /nfs/dbraw/zinc/03/48/02/244034802.db2.gz DIZSLEKUCQPESZ-QGZVFWFLSA-N 1 2 325.412 2.537 40 0 EFABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000257205293 244133190 /nfs/dbraw/zinc/13/31/90/244133190.db2.gz AYKKAEGYKGLPLQ-CYBMUJFWSA-N 1 2 345.424 2.549 40 0 EFABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000257205293 244133200 /nfs/dbraw/zinc/13/32/00/244133200.db2.gz AYKKAEGYKGLPLQ-CYBMUJFWSA-N 1 2 345.424 2.549 40 0 EFABLO CN(C(=O)Cc1ccccc1F)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257203539 244127676 /nfs/dbraw/zinc/12/76/76/244127676.db2.gz AQMUTXLNHPFEAS-MRXNPFEDSA-N 1 2 327.403 2.891 40 0 EFABLO CC[N@H+](Cc1ccncc1)Cc1cncc([C@H]2CCCN2C(C)=O)n1 ZINC000257210874 244150303 /nfs/dbraw/zinc/15/03/03/244150303.db2.gz BWMRUDABULAZAJ-LJQANCHMSA-N 1 2 339.443 2.577 40 0 EFABLO CC[N@@H+](Cc1ccncc1)Cc1cncc([C@H]2CCCN2C(C)=O)n1 ZINC000257210874 244150311 /nfs/dbraw/zinc/15/03/11/244150311.db2.gz BWMRUDABULAZAJ-LJQANCHMSA-N 1 2 339.443 2.577 40 0 EFABLO Cc1nc(CC(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)cs1 ZINC000257213275 244155800 /nfs/dbraw/zinc/15/58/00/244155800.db2.gz CGVWCXOUNFWEHW-INIZCTEOSA-N 1 2 338.436 2.974 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)cc[nH+]1 ZINC000257213839 244159064 /nfs/dbraw/zinc/15/90/64/244159064.db2.gz CJHCLTRCFHPUQM-MRXNPFEDSA-N 1 2 341.459 2.802 40 0 EFABLO Cc1cc(C)n(CC(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)n1 ZINC000257214403 244159753 /nfs/dbraw/zinc/15/97/53/244159753.db2.gz CLVWLRPBFFABHL-UHFFFAOYSA-N 1 2 326.444 2.685 40 0 EFABLO Cn1c[nH+]cc1-c1cccc(C[C@H]2CCN(C(=O)C(C)(C)C)C2)n1 ZINC000257215225 244162777 /nfs/dbraw/zinc/16/27/77/244162777.db2.gz CPFAIUZWLODXML-CQSZACIVSA-N 1 2 326.444 2.919 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)cc[nH+]1 ZINC000257214592 244164598 /nfs/dbraw/zinc/16/45/98/244164598.db2.gz CMOOQOQDCKNFNV-CQSZACIVSA-N 1 2 330.457 2.837 40 0 EFABLO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@@H+]2Cc2cnccn2)n1 ZINC000257224133 244195188 /nfs/dbraw/zinc/19/51/88/244195188.db2.gz FALPVDLFROEJJY-MRXNPFEDSA-N 1 2 336.399 2.876 40 0 EFABLO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@H+]2Cc2cnccn2)n1 ZINC000257224133 244195194 /nfs/dbraw/zinc/19/51/94/244195194.db2.gz FALPVDLFROEJJY-MRXNPFEDSA-N 1 2 336.399 2.876 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccnc(N3CCCC3)c2)[nH+]1 ZINC000257230077 244209674 /nfs/dbraw/zinc/20/96/74/244209674.db2.gz GASJULBPHXKDMT-INIZCTEOSA-N 1 2 339.443 2.701 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](c2ccncn2)C1 ZINC000257220666 244180220 /nfs/dbraw/zinc/18/02/20/244180220.db2.gz DLQQVHQFJCJVHK-OAHLLOKOSA-N 1 2 335.411 2.541 40 0 EFABLO Cc1nccc([C@H]2C[N@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257243635 244250084 /nfs/dbraw/zinc/25/00/84/244250084.db2.gz IHWGLADKXBMQRE-GOSISDBHSA-N 1 2 331.391 2.767 40 0 EFABLO Cc1nccc([C@H]2C[N@@H+](CCCOc3ccccc3F)CCO2)n1 ZINC000257243635 244250090 /nfs/dbraw/zinc/25/00/90/244250090.db2.gz IHWGLADKXBMQRE-GOSISDBHSA-N 1 2 331.391 2.767 40 0 EFABLO NC(=O)[C@@]1(CCCc2ccccn2)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000257243947 244250533 /nfs/dbraw/zinc/25/05/33/244250533.db2.gz IJGLCSBSKGKIAP-LJQANCHMSA-N 1 2 345.393 2.813 40 0 EFABLO NC(=O)[C@@]1(CCCc2ccccn2)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000257243947 244250540 /nfs/dbraw/zinc/25/05/40/244250540.db2.gz IJGLCSBSKGKIAP-LJQANCHMSA-N 1 2 345.393 2.813 40 0 EFABLO CNC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2cccc(C)c2)C1 ZINC000257234502 244224610 /nfs/dbraw/zinc/22/46/10/244224610.db2.gz GTUPQMBSFKESKK-OAHLLOKOSA-N 1 2 340.427 2.503 40 0 EFABLO CNC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2cccc(C)c2)C1 ZINC000257234502 244224614 /nfs/dbraw/zinc/22/46/14/244224614.db2.gz GTUPQMBSFKESKK-OAHLLOKOSA-N 1 2 340.427 2.503 40 0 EFABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)C(C)C)C3)n2)n1C ZINC000257236633 244230091 /nfs/dbraw/zinc/23/00/91/244230091.db2.gz HDAPZRZHCNKGPY-HNNXBMFYSA-N 1 2 341.459 2.623 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)CCN3CCc4ccccc43)C2)[nH+]1 ZINC000257239685 244237877 /nfs/dbraw/zinc/23/78/77/244237877.db2.gz HQIVBNFFVVFJHN-KRWDZBQOSA-N 1 2 338.455 2.877 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3nc(C(C)C)no3)C2)[nH+]1 ZINC000257240850 244242125 /nfs/dbraw/zinc/24/21/25/244242125.db2.gz HVKULYYEMZEOMO-CYBMUJFWSA-N 1 2 331.420 2.563 40 0 EFABLO Cc1cc(C)n(CC(=O)N2Cc3[nH+]cc(C)n3C[C@@H]2c2ccccc2)n1 ZINC000257241486 244244378 /nfs/dbraw/zinc/24/43/78/244244378.db2.gz HYEPVFHEYWENAO-GOSISDBHSA-N 1 2 349.438 2.789 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000257255860 244282196 /nfs/dbraw/zinc/28/21/96/244282196.db2.gz KJEVJEJGJLEWBP-CYBMUJFWSA-N 1 2 325.821 2.897 40 0 EFABLO [NH3+]CC(=O)Oc1ccc2c(c1)occ(Oc1ccc(F)cc1)c2=O ZINC000020113377 212103340 /nfs/dbraw/zinc/10/33/40/212103340.db2.gz FPGHWAKNVYIBEO-UHFFFAOYSA-N 1 2 329.283 2.589 40 0 biogenic EFABLO COc1ccc(CC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000257264675 244359525 /nfs/dbraw/zinc/35/95/25/244359525.db2.gz LVOWWMOXENOWMK-KRWDZBQOSA-N 1 2 339.439 2.760 40 0 EFABLO COc1ccc(C)cc1CC(=O)N1CCC[C@H]1c1[nH+]c(C)cn1C ZINC000257272231 244379802 /nfs/dbraw/zinc/37/98/02/244379802.db2.gz NBODORFRANKCKG-INIZCTEOSA-N 1 2 327.428 2.952 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccc3c(c2)CCCC3)[nH+]1 ZINC000257262261 244349454 /nfs/dbraw/zinc/34/94/54/244349454.db2.gz LKSVZPUDDRHTGR-GOSISDBHSA-N 1 2 339.439 2.740 40 0 EFABLO Cc1ncsc1C(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257264632 244357348 /nfs/dbraw/zinc/35/73/48/244357348.db2.gz LVJLZFWIUAZXPS-CQSZACIVSA-N 1 2 330.457 2.932 40 0 EFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H]1c1ccnc(C)n1 ZINC000257272336 244383634 /nfs/dbraw/zinc/38/36/34/244383634.db2.gz NCARPOIYRXSPBS-MRXNPFEDSA-N 1 2 335.411 2.647 40 0 EFABLO Cc1nc(NC(=[NH2+])N2CCCCC2)[nH]c(=O)c1Cc1ccccc1 ZINC000019819771 212072019 /nfs/dbraw/zinc/07/20/19/212072019.db2.gz HBSVXLGYENYVHD-UHFFFAOYSA-N 1 2 325.416 2.502 40 0 EFABLO CCc1nnsc1C(=O)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257329642 244544131 /nfs/dbraw/zinc/54/41/31/244544131.db2.gz XKVFGICKNODGEJ-AWEZNQCLSA-N 1 2 339.424 2.694 40 0 EFABLO CCn1cc(-c2c[nH+]cn2[C@H](CO)Cc2ccc(N(C)C)cc2)cn1 ZINC000019719586 212057301 /nfs/dbraw/zinc/05/73/01/212057301.db2.gz BSXIUKZXICOXPC-SFHVURJKSA-N 1 2 339.443 2.609 40 0 EFABLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2nccs2)c1 ZINC000019657803 212054817 /nfs/dbraw/zinc/05/48/17/212054817.db2.gz FHFKUTUIMWJDDQ-CQSZACIVSA-N 1 2 347.440 2.936 40 0 EFABLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2nccs2)c1 ZINC000019657803 212054820 /nfs/dbraw/zinc/05/48/20/212054820.db2.gz FHFKUTUIMWJDDQ-CQSZACIVSA-N 1 2 347.440 2.936 40 0 EFABLO Cc1cc(NC(=O)C[NH+]2CCC(Oc3ccccc3C)CC2)nn1C ZINC000019658726 212054476 /nfs/dbraw/zinc/05/44/76/212054476.db2.gz HOWBPSCOBAVFKF-UHFFFAOYSA-N 1 2 342.443 2.519 40 0 EFABLO CN(CC[NH+]1CCCCC1)C(=O)c1n[nH]c2c1COc1ccccc1-2 ZINC000019656513 212052716 /nfs/dbraw/zinc/05/27/16/212052716.db2.gz MWVXYBUXVSTSCV-UHFFFAOYSA-N 1 2 340.427 2.527 40 0 EFABLO Cc1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1F ZINC000019570812 212044231 /nfs/dbraw/zinc/04/42/31/212044231.db2.gz ALRSSELJDCRCGB-UHFFFAOYSA-N 1 2 345.399 2.798 40 0 EFABLO C[C@@H](CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1)n1cccn1 ZINC000019455430 212030148 /nfs/dbraw/zinc/03/01/48/212030148.db2.gz SYYMBATUVISZAO-SUMWQHHRSA-N 1 2 341.390 2.613 40 0 EFABLO O=c1cc(-c2ccccn2)nc([C@@H]2CCC[N@@H+]2Cc2cccnc2)[nH]1 ZINC000019402505 212025884 /nfs/dbraw/zinc/02/58/84/212025884.db2.gz UWCRZBPZMMOXNK-KRWDZBQOSA-N 1 2 333.395 2.564 40 0 EFABLO O=c1cc(-c2ccccn2)nc([C@@H]2CCC[N@H+]2Cc2cccnc2)[nH]1 ZINC000019402505 212025887 /nfs/dbraw/zinc/02/58/87/212025887.db2.gz UWCRZBPZMMOXNK-KRWDZBQOSA-N 1 2 333.395 2.564 40 0 EFABLO Cc1csc2c([C@H]3CCCN(C(=O)c4cnn(C)c4)C3)[nH+]c(C)n12 ZINC000019240458 212009091 /nfs/dbraw/zinc/00/90/91/212009091.db2.gz GKKKBHSNJIZCFP-ZDUSSCGKSA-N 1 2 343.456 2.766 40 0 EFABLO CC(C)c1csc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000078189505 217030393 /nfs/dbraw/zinc/03/03/93/217030393.db2.gz HHQQLSVKNVMOSU-AWEZNQCLSA-N 1 2 337.489 2.593 40 0 EFABLO Cc1cc2c(nc3n(c2=O)CC[N@@H+](Cc2cccc(C)n2)CC3)s1 ZINC000019236320 212007367 /nfs/dbraw/zinc/00/73/67/212007367.db2.gz SVSFAWHYMMFEMS-UHFFFAOYSA-N 1 2 340.452 2.528 40 0 EFABLO Cc1cc2c(nc3n(c2=O)CC[N@H+](Cc2cccc(C)n2)CC3)s1 ZINC000019236320 212007370 /nfs/dbraw/zinc/00/73/70/212007370.db2.gz SVSFAWHYMMFEMS-UHFFFAOYSA-N 1 2 340.452 2.528 40 0 EFABLO Cc1ccc(CS(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000019210485 212004050 /nfs/dbraw/zinc/00/40/50/212004050.db2.gz CKFXVENWIKCADI-UHFFFAOYSA-N 1 2 341.436 2.800 40 0 EFABLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC000078403013 217049268 /nfs/dbraw/zinc/04/92/68/217049268.db2.gz IIQLWDXAKOKBSD-CRAIPNDOSA-N 1 2 335.411 2.755 40 0 EFABLO Cc1cnn(CCC(=O)N2CC[NH+]([C@H](C)c3ccccc3F)CC2)c1 ZINC000078915116 217147368 /nfs/dbraw/zinc/14/73/68/217147368.db2.gz IVBMPECMVABAJY-MRXNPFEDSA-N 1 2 344.434 2.626 40 0 EFABLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CC(=O)NCc1ccccn1 ZINC000078923129 217148304 /nfs/dbraw/zinc/14/83/04/217148304.db2.gz VGVDWMMJVQGKSQ-GQIGUUNPSA-N 1 2 339.439 2.548 40 0 EFABLO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CC(=O)NCc1ccccn1 ZINC000078923129 217148307 /nfs/dbraw/zinc/14/83/07/217148307.db2.gz VGVDWMMJVQGKSQ-GQIGUUNPSA-N 1 2 339.439 2.548 40 0 EFABLO Cc1cc(NC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cc[nH+]1 ZINC000079001792 217172847 /nfs/dbraw/zinc/17/28/47/217172847.db2.gz MCGSXLIBEYYTBP-SFHVURJKSA-N 1 2 325.412 2.712 40 0 EFABLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)COCc2ccccc2)CC1 ZINC000079353595 217213081 /nfs/dbraw/zinc/21/30/81/217213081.db2.gz GHTGTGYPYVPCEP-KRWDZBQOSA-N 1 2 339.439 2.504 40 0 EFABLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cnn(C(C)(C)C)c2)CC1 ZINC000079353496 217213614 /nfs/dbraw/zinc/21/36/14/217213614.db2.gz BGHIYPTYXQLGNO-HNNXBMFYSA-N 1 2 341.459 2.552 40 0 EFABLO O=C(CCc1cccc(F)c1F)N1CC[NH+](Cc2ccco2)CC1 ZINC000079334769 217209610 /nfs/dbraw/zinc/20/96/10/217209610.db2.gz YVLWAJRRYAZQEZ-UHFFFAOYSA-N 1 2 334.366 2.835 40 0 EFABLO COC(=O)[C@H](C)[C@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000079635166 217245559 /nfs/dbraw/zinc/24/55/59/217245559.db2.gz HXKZFDHWCYXDEJ-DYVFJYSZSA-N 1 2 337.379 2.615 40 0 EFABLO Cn1cc(Br)cc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000079962315 217268281 /nfs/dbraw/zinc/26/82/81/217268281.db2.gz RWIANROHHIUDHQ-JTQLQIEISA-N 1 2 337.221 2.531 40 0 EFABLO Cc1nnc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H]3n3cc[nH+]c3)cc2)o1 ZINC000081418754 217393120 /nfs/dbraw/zinc/39/31/20/217393120.db2.gz JPCDTVRCXBYDJH-CVEARBPZSA-N 1 2 337.383 2.765 40 0 EFABLO CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C1(CCCCCC1)[NH2+]2 ZINC000012357278 211355318 /nfs/dbraw/zinc/35/53/18/211355318.db2.gz VHDLRTKYMXWTFT-UHFFFAOYSA-N 1 2 337.464 2.526 40 0 EFABLO O=C(C[NH+]1CCC(O)(c2cccnc2)CC1)Nc1ccc(Cl)cc1 ZINC000012113220 211292730 /nfs/dbraw/zinc/29/27/30/211292730.db2.gz LYHZOYWXBBLSIP-UHFFFAOYSA-N 1 2 345.830 2.657 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCCCC1)c1ccc(F)c(F)c1 ZINC000012114981 211294277 /nfs/dbraw/zinc/29/42/77/211294277.db2.gz MJGYDMVYWCCLQJ-HNNXBMFYSA-N 1 2 334.370 2.983 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000012145804 211306309 /nfs/dbraw/zinc/30/63/09/211306309.db2.gz ADGNMBKNACGIDG-LBPRGKRZSA-N 1 2 341.440 2.885 40 0 EFABLO Cc1cc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)no1 ZINC000092255017 218130809 /nfs/dbraw/zinc/13/08/09/218130809.db2.gz HEWXYAYTCNRNJW-UHFFFAOYSA-N 1 2 340.383 2.776 40 0 EFABLO Cc1cc(C[N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)no1 ZINC000092255017 218130813 /nfs/dbraw/zinc/13/08/13/218130813.db2.gz HEWXYAYTCNRNJW-UHFFFAOYSA-N 1 2 340.383 2.776 40 0 EFABLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1Cl)c1ccco1 ZINC000010089061 211147102 /nfs/dbraw/zinc/14/71/02/211147102.db2.gz XVNRNARQZMZALH-GFCCVEGCSA-N 1 2 328.821 2.514 40 0 EFABLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1Cl)c1ccco1 ZINC000010089055 211146620 /nfs/dbraw/zinc/14/66/20/211146620.db2.gz XVNRNARQZMZALH-LBPRGKRZSA-N 1 2 328.821 2.514 40 0 EFABLO C[N@H+](CCOC[C@H]1CCCO1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000095400884 218335383 /nfs/dbraw/zinc/33/53/83/218335383.db2.gz CUGNSBKKYKETBI-MSOLQXFVSA-N 1 2 345.418 2.833 40 0 EFABLO C[N@@H+](CCOC[C@H]1CCCO1)[C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000095400884 218335384 /nfs/dbraw/zinc/33/53/84/218335384.db2.gz CUGNSBKKYKETBI-MSOLQXFVSA-N 1 2 345.418 2.833 40 0 EFABLO O=C(Oc1ccccc1)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000095413134 218350741 /nfs/dbraw/zinc/35/07/41/218350741.db2.gz DXPYTXPZEUOVKU-UHFFFAOYSA-N 1 2 336.395 2.651 40 0 EFABLO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCN(C3CC3)C(=O)C2)c(C)c1 ZINC000096479960 218856619 /nfs/dbraw/zinc/85/66/19/218856619.db2.gz ZAXXPKYDIYUUME-UHFFFAOYSA-N 1 2 343.471 2.637 40 0 EFABLO Cc1cc(C)c(NC(=O)CCC[N@H+]2CCN(C3CC3)C(=O)C2)c(C)c1 ZINC000096479960 218856621 /nfs/dbraw/zinc/85/66/21/218856621.db2.gz ZAXXPKYDIYUUME-UHFFFAOYSA-N 1 2 343.471 2.637 40 0 EFABLO Cc1cccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cn2)c1F ZINC000097230010 219000363 /nfs/dbraw/zinc/00/03/63/219000363.db2.gz YGZDDOBGFIJTBH-UHFFFAOYSA-N 1 2 329.375 2.614 40 0 EFABLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccnc1C(F)(F)F ZINC000097231464 219000646 /nfs/dbraw/zinc/00/06/46/219000646.db2.gz OZDVFOIUUCCJEQ-LLVKDONJSA-N 1 2 336.317 2.504 40 0 EFABLO CC(C)Cc1noc(CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)n1 ZINC000118835811 221191386 /nfs/dbraw/zinc/19/13/86/221191386.db2.gz HVZKEZBVHCWXRL-HNNXBMFYSA-N 1 2 329.448 2.542 40 0 EFABLO CNc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212486 257690139 /nfs/dbraw/zinc/69/01/39/257690139.db2.gz RWZRMJFXZVFSLL-INIZCTEOSA-N 1 2 331.441 2.958 40 0 EFABLO Cc1csc(CN2Cc3c[nH+]cn3[C@@H](COc3ccccn3)C2)n1 ZINC000306130200 257919843 /nfs/dbraw/zinc/91/98/43/257919843.db2.gz IZAVTURGKGXLKS-OAHLLOKOSA-N 1 2 341.440 2.679 40 0 EFABLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCN(c3cc(C)ccc3C)CC2)on1 ZINC000164723952 291961932 /nfs/dbraw/zinc/96/19/32/291961932.db2.gz QQJCWTJAOCEXEV-INIZCTEOSA-N 1 2 342.443 2.749 40 0 EFABLO COc1ccc(CC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1F ZINC000130940257 533449595 /nfs/dbraw/zinc/44/95/95/533449595.db2.gz CFXIHCDWEDEOGI-HNNXBMFYSA-N 1 2 343.402 2.557 40 0 EFABLO CC[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035289916 132389781 /nfs/dbraw/zinc/38/97/81/132389781.db2.gz YMVKNNRMEIDTLC-INIZCTEOSA-N 1 2 332.427 2.666 40 0 EFABLO O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CCC(Cc2ccccc2)CC1 ZINC000378074608 152001597 /nfs/dbraw/zinc/00/15/97/152001597.db2.gz UQLIMRYSUJDFJE-QGZVFWFLSA-N 1 2 338.455 2.931 40 0 EFABLO O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CCC(Cc2ccccc2)CC1 ZINC000378074608 152001600 /nfs/dbraw/zinc/00/16/00/152001600.db2.gz UQLIMRYSUJDFJE-QGZVFWFLSA-N 1 2 338.455 2.931 40 0 EFABLO C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](c2ccccc2)CO1 ZINC000253418104 296898885 /nfs/dbraw/zinc/89/88/85/296898885.db2.gz DISHLCNIRVZMHK-UKPHBRMFSA-N 1 2 325.412 2.818 40 0 EFABLO C[C@H](CNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1)Cn1cc[nH+]c1 ZINC000096487070 544559849 /nfs/dbraw/zinc/55/98/49/544559849.db2.gz UYNGTZHEFXGBLR-YGRLFVJLSA-N 1 2 342.226 2.676 40 0 EFABLO O=C(NCc1cn2ccccc2[nH+]1)N1CCC(c2ccncc2)CC1 ZINC000277021795 267100586 /nfs/dbraw/zinc/10/05/86/267100586.db2.gz MZHAWDCAMHRVRD-UHFFFAOYSA-N 1 2 335.411 2.819 40 0 EFABLO CCOC[C@@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000253384225 276331602 /nfs/dbraw/zinc/33/16/02/276331602.db2.gz OEBCEXCENCIRMO-INIZCTEOSA-N 1 2 336.395 2.665 40 0 EFABLO C[C@@H]1CN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000109042387 278664934 /nfs/dbraw/zinc/66/49/34/278664934.db2.gz GOEYPZCIMMXAFT-PMPSAXMXSA-N 1 2 347.459 2.548 40 0 EFABLO COc1cccc([C@H]2Cn3ccnc3C[N@@H+]2CC2CCOCC2)c1 ZINC000257293744 295329261 /nfs/dbraw/zinc/32/92/61/295329261.db2.gz QQZMOWDYXVPCTL-GOSISDBHSA-N 1 2 327.428 2.875 40 0 EFABLO COc1cccc([C@H]2Cn3ccnc3C[N@H+]2CC2CCOCC2)c1 ZINC000257293744 295329263 /nfs/dbraw/zinc/32/92/63/295329263.db2.gz QQZMOWDYXVPCTL-GOSISDBHSA-N 1 2 327.428 2.875 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc(N3CCCC3)cc2)[nH+]1 ZINC000257259326 301025463 /nfs/dbraw/zinc/02/54/63/301025463.db2.gz KXUYIXVBGRYAIU-QGZVFWFLSA-N 1 2 340.427 2.532 40 0 EFABLO Cc1nn(C)c2nc(C)cc(C(=O)N3CCCC[C@@H]3c3[nH]cc[nH+]3)c12 ZINC000120133564 302790593 /nfs/dbraw/zinc/79/05/93/302790593.db2.gz VTTLRMBXAZTEQE-CQSZACIVSA-N 1 2 338.415 2.676 40 0 EFABLO Cn1cnc2c1[C@@H](C(=O)NC1CCCCCC1)[N@H+](CC1CC1)CC2 ZINC000096147179 303023066 /nfs/dbraw/zinc/02/30/66/303023066.db2.gz XNFIYJIBRFRZJU-SFHVURJKSA-N 1 2 330.476 2.568 40 0 EFABLO Cn1cnc2c1[C@@H](C(=O)NC1CCCCCC1)[N@@H+](CC1CC1)CC2 ZINC000096147179 303023067 /nfs/dbraw/zinc/02/30/67/303023067.db2.gz XNFIYJIBRFRZJU-SFHVURJKSA-N 1 2 330.476 2.568 40 0 EFABLO Cn1cc[nH+]c1[C@@H]1N(C(=O)NCc2noc3c2CCCC3)CC1(C)C ZINC000296644634 310833607 /nfs/dbraw/zinc/83/36/07/310833607.db2.gz ADTWGOHGMZVVJJ-HNNXBMFYSA-N 1 2 343.431 2.580 40 0 EFABLO CC(=O)c1csc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000332397553 311498948 /nfs/dbraw/zinc/49/89/48/311498948.db2.gz QFBNBUVYWHHCSR-UHFFFAOYSA-N 1 2 329.425 2.617 40 0 EFABLO CC(=O)c1ccc(S(C)(=O)=O)c(NCCc2ccc(C)[nH+]c2)c1 ZINC000097238195 323214228 /nfs/dbraw/zinc/21/42/28/323214228.db2.gz GJAJUGLITZUPKT-UHFFFAOYSA-N 1 2 332.425 2.651 40 0 EFABLO CC[C@@H]([NH2+]Cc1cc(=O)n2c(C)csc2n1)c1c(C)noc1C ZINC000097374105 323214897 /nfs/dbraw/zinc/21/48/97/323214897.db2.gz KUMVETALNKGBCM-CYBMUJFWSA-N 1 2 332.429 2.910 40 0 EFABLO CCc1nc([C@H](C)[NH2+]Cc2cc(=O)n3c(C)csc3n2)cs1 ZINC000097374482 323214904 /nfs/dbraw/zinc/21/49/04/323214904.db2.gz TUZCLOZKUXMQQX-JTQLQIEISA-N 1 2 334.470 2.934 40 0 EFABLO O=C(C[C@H]1COCC[N@H+]1Cc1ccc(CO)cc1)c1cccs1 ZINC000119556472 323215313 /nfs/dbraw/zinc/21/53/13/323215313.db2.gz PEFXAKLEBSIEHN-INIZCTEOSA-N 1 2 331.437 2.714 40 0 EFABLO O=C(C[C@H]1COCC[N@@H+]1Cc1ccc(CO)cc1)c1cccs1 ZINC000119556472 323215316 /nfs/dbraw/zinc/21/53/16/323215316.db2.gz PEFXAKLEBSIEHN-INIZCTEOSA-N 1 2 331.437 2.714 40 0 EFABLO NC(=O)[C@@H]1CCCN(c2ccc(NC/C=C/c3ccco3)c[nH+]2)C1 ZINC000095447428 473205927 /nfs/dbraw/zinc/20/59/27/473205927.db2.gz HMQPLOFAVTWJJW-ARUMEGIESA-N 1 2 326.400 2.502 40 0 EFABLO Cc1cc(N)nc(SCc2noc(Cc3ccccc3C)n2)[nH+]1 ZINC000081527635 473215266 /nfs/dbraw/zinc/21/52/66/473215266.db2.gz WFFNBZOUMSWMMA-UHFFFAOYSA-N 1 2 327.413 2.942 40 0 EFABLO COc1cccc(-c2nnc([C@@H]([NH3+])c3ccc(OC)c(OC)c3)[nH]2)c1 ZINC000095533809 473221822 /nfs/dbraw/zinc/22/18/22/473221822.db2.gz MXPQKQLRFNBPLF-INIZCTEOSA-N 1 2 340.383 2.546 40 0 EFABLO COc1ccc(-c2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)cc1OC ZINC000095533314 473222301 /nfs/dbraw/zinc/22/23/01/473222301.db2.gz KAFNIUKIBARMCN-OAHLLOKOSA-N 1 2 328.347 2.676 40 0 EFABLO COc1cccc(NCCc2nc([C@@H]([NH3+])c3ccc(F)cc3)n[nH]2)c1 ZINC000095533289 473222740 /nfs/dbraw/zinc/22/27/40/473222740.db2.gz KDKILADVTJHQBF-KRWDZBQOSA-N 1 2 341.390 2.655 40 0 EFABLO CC(C)[C@H]([NH3+])c1nc(-c2ccc(I)cc2)n[nH]1 ZINC000095534754 473223250 /nfs/dbraw/zinc/22/32/50/473223250.db2.gz ZPVAUYLSJXSMMT-JTQLQIEISA-N 1 2 342.184 2.732 40 0 EFABLO Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)no1 ZINC000096040431 473261001 /nfs/dbraw/zinc/26/10/01/473261001.db2.gz VVJOKAMLIOQIIX-PKOBYXMFSA-N 1 2 343.427 2.828 40 0 EFABLO Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)no1 ZINC000096040431 473261006 /nfs/dbraw/zinc/26/10/06/473261006.db2.gz VVJOKAMLIOQIIX-PKOBYXMFSA-N 1 2 343.427 2.828 40 0 EFABLO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)n1 ZINC000096040342 473261854 /nfs/dbraw/zinc/26/18/54/473261854.db2.gz DJSQOGBDTCYIJN-YJBOKZPZSA-N 1 2 345.468 2.988 40 0 EFABLO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)n1 ZINC000096040342 473261860 /nfs/dbraw/zinc/26/18/60/473261860.db2.gz DJSQOGBDTCYIJN-YJBOKZPZSA-N 1 2 345.468 2.988 40 0 EFABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2ccccn2)cs1 ZINC000096041757 473262714 /nfs/dbraw/zinc/26/27/14/473262714.db2.gz LKOXYJVVYMURCD-RCCFBDPRSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2ccccn2)cs1 ZINC000096041757 473262720 /nfs/dbraw/zinc/26/27/20/473262720.db2.gz LKOXYJVVYMURCD-RCCFBDPRSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041718 473263178 /nfs/dbraw/zinc/26/31/78/473263178.db2.gz DMVIQGBJWBILNC-IPMKNSEASA-N 1 2 343.427 2.635 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@H](OCc3cccnc3)CC[C@@H]21 ZINC000096041718 473263184 /nfs/dbraw/zinc/26/31/84/473263184.db2.gz DMVIQGBJWBILNC-IPMKNSEASA-N 1 2 343.427 2.635 40 0 EFABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)cs1 ZINC000096041758 473263511 /nfs/dbraw/zinc/26/35/11/473263511.db2.gz RQFZVFICVOUSDV-RCCFBDPRSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)cs1 ZINC000096041758 473263517 /nfs/dbraw/zinc/26/35/17/473263517.db2.gz RQFZVFICVOUSDV-RCCFBDPRSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@@H+]3Cc2cccnc2)n1 ZINC000096041773 473263760 /nfs/dbraw/zinc/26/37/60/473263760.db2.gz WOCVBNPKQBYXRF-XUVXKRRUSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1cccc(CO[C@@H]2CC[C@H]3[C@H]2OCC[N@H+]3Cc2cccnc2)n1 ZINC000096041773 473263764 /nfs/dbraw/zinc/26/37/64/473263764.db2.gz WOCVBNPKQBYXRF-XUVXKRRUSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096041785 473263882 /nfs/dbraw/zinc/26/38/82/473263882.db2.gz LRYCJZXBFPPYJF-IPMKNSEASA-N 1 2 343.427 2.635 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21 ZINC000096041785 473263886 /nfs/dbraw/zinc/26/38/86/473263886.db2.gz LRYCJZXBFPPYJF-IPMKNSEASA-N 1 2 343.427 2.635 40 0 EFABLO Cc1cccc(C[N@@H+]2CCc3cnn(C)c3[C@@H]2COCC2CC2)n1 ZINC000096044488 473265136 /nfs/dbraw/zinc/26/51/36/473265136.db2.gz GTSOXPRBEXBTRC-SFHVURJKSA-N 1 2 326.444 2.650 40 0 EFABLO Cc1cccc(C[N@H+]2CCc3cnn(C)c3[C@@H]2COCC2CC2)n1 ZINC000096044488 473265145 /nfs/dbraw/zinc/26/51/45/473265145.db2.gz GTSOXPRBEXBTRC-SFHVURJKSA-N 1 2 326.444 2.650 40 0 EFABLO CCOC[C@@H]1CN(C(=O)c2cscn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045128 473267074 /nfs/dbraw/zinc/26/70/74/473267074.db2.gz OVQBPEXNIKTISK-ZDUSSCGKSA-N 1 2 346.456 2.526 40 0 EFABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(C(=O)C1CCC1)CC2 ZINC000096058575 473284081 /nfs/dbraw/zinc/28/40/81/473284081.db2.gz FOVXYLFWFBLBQO-UHFFFAOYSA-N 1 2 343.475 2.582 40 0 EFABLO Cn1c[nH+]c2c1[C@@H](COCC1CCOCC1)CN(Cc1ccoc1)C2 ZINC000096068656 473288957 /nfs/dbraw/zinc/28/89/57/473288957.db2.gz BJLVXUXWBYILFL-QGZVFWFLSA-N 1 2 345.443 2.556 40 0 EFABLO C[C@H]1c2[nH+]cc(Cn3cccn3)n2CCN1Cc1ccc(F)cc1 ZINC000096062045 473285400 /nfs/dbraw/zinc/28/54/00/473285400.db2.gz FPKAFANFIGKFNP-AWEZNQCLSA-N 1 2 325.391 2.844 40 0 EFABLO O=C1COC2(CC[NH+](Cc3nccs3)CC2)CN1c1ccccc1 ZINC000096074966 473290241 /nfs/dbraw/zinc/29/02/41/473290241.db2.gz BLOGBBPGCWAPTO-UHFFFAOYSA-N 1 2 343.452 2.541 40 0 EFABLO Cc1csc(C[N@@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096187108 473328694 /nfs/dbraw/zinc/32/86/94/473328694.db2.gz XNTNTZPYSYQYEF-VYDXJSESSA-N 1 2 331.441 2.657 40 0 EFABLO Cc1csc(C[N@H+]2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC000096187108 473328700 /nfs/dbraw/zinc/32/87/00/473328700.db2.gz XNTNTZPYSYQYEF-VYDXJSESSA-N 1 2 331.441 2.657 40 0 EFABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(C(=O)c2ccc3[nH]ccc3c2)C1 ZINC000096187814 473329052 /nfs/dbraw/zinc/32/90/52/473329052.db2.gz NXJWRFSKSCDOGX-CQSZACIVSA-N 1 2 338.411 2.673 40 0 EFABLO Cc1cccc(CO[C@H]2C[N@H+](Cc3nccs3)[C@@H]3CCCO[C@@H]32)n1 ZINC000096187148 473329180 /nfs/dbraw/zinc/32/91/80/473329180.db2.gz RUILSRKHQOPVMT-RYRKJORJSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1cccc(CO[C@H]2C[N@@H+](Cc3nccs3)[C@@H]3CCCO[C@@H]32)n1 ZINC000096187148 473329186 /nfs/dbraw/zinc/32/91/86/473329186.db2.gz RUILSRKHQOPVMT-RYRKJORJSA-N 1 2 345.468 2.795 40 0 EFABLO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@@H+](Cc1ccccn1)C2 ZINC000096189174 473330595 /nfs/dbraw/zinc/33/05/95/473330595.db2.gz WKMQWTYWGXUGLZ-QGZVFWFLSA-N 1 2 349.438 2.522 40 0 EFABLO c1cc2n(n1)C[C@H](COCc1ccccn1)C[N@H+](Cc1ccccn1)C2 ZINC000096189174 473330603 /nfs/dbraw/zinc/33/06/03/473330603.db2.gz WKMQWTYWGXUGLZ-QGZVFWFLSA-N 1 2 349.438 2.522 40 0 EFABLO c1cn2c(n1)C[N@H+](Cc1ccoc1)C[C@@H](COCc1ccccn1)C2 ZINC000096188133 473330836 /nfs/dbraw/zinc/33/08/36/473330836.db2.gz BLXKSYIKBZNHBS-QGZVFWFLSA-N 1 2 338.411 2.720 40 0 EFABLO c1cn2c(n1)C[N@@H+](Cc1ccoc1)C[C@@H](COCc1ccccn1)C2 ZINC000096188133 473330843 /nfs/dbraw/zinc/33/08/43/473330843.db2.gz BLXKSYIKBZNHBS-QGZVFWFLSA-N 1 2 338.411 2.720 40 0 EFABLO c1cn2c([nH+]1)CN(Cc1ccoc1)C[C@@H](COCc1ccccn1)C2 ZINC000096188133 473330848 /nfs/dbraw/zinc/33/08/48/473330848.db2.gz BLXKSYIKBZNHBS-QGZVFWFLSA-N 1 2 338.411 2.720 40 0 EFABLO Cc1nc(C[N@H+]2Cc3ccnn3C[C@H](COCC3CC3)C2)cs1 ZINC000096189098 473330899 /nfs/dbraw/zinc/33/08/99/473330899.db2.gz LVRXFZUJLJDYPN-OAHLLOKOSA-N 1 2 332.473 2.707 40 0 EFABLO Cc1nc(C[N@@H+]2Cc3ccnn3C[C@H](COCC3CC3)C2)cs1 ZINC000096189098 473330903 /nfs/dbraw/zinc/33/09/03/473330903.db2.gz LVRXFZUJLJDYPN-OAHLLOKOSA-N 1 2 332.473 2.707 40 0 EFABLO Cc1nc(CN2CCN(C(=O)C3CC3)Cc3ccc[nH+]c32)cs1 ZINC000096198959 473336256 /nfs/dbraw/zinc/33/62/56/473336256.db2.gz PUQVMFNDHOGJSP-UHFFFAOYSA-N 1 2 328.441 2.605 40 0 EFABLO Cc1ccc(CN2CCOC[C@]3(CC[N@H+](Cc4nccs4)C3)C2)o1 ZINC000096202207 473338254 /nfs/dbraw/zinc/33/82/54/473338254.db2.gz OUYUCWYYRMADGF-SFHVURJKSA-N 1 2 347.484 2.769 40 0 EFABLO Cc1ccc(CN2CCOC[C@]3(CC[N@@H+](Cc4nccs4)C3)C2)o1 ZINC000096202207 473338261 /nfs/dbraw/zinc/33/82/61/473338261.db2.gz OUYUCWYYRMADGF-SFHVURJKSA-N 1 2 347.484 2.769 40 0 EFABLO Cc1nc(C[N@@H+]2CCC3(CN(Cc4c(C)noc4C)C3)C2)cs1 ZINC000096202528 473338550 /nfs/dbraw/zinc/33/85/50/473338550.db2.gz DZJJDKKWAXZSFX-UHFFFAOYSA-N 1 2 332.473 2.764 40 0 EFABLO Cc1nc(C[N@H+]2CCC3(CN(Cc4c(C)noc4C)C3)C2)cs1 ZINC000096202528 473338560 /nfs/dbraw/zinc/33/85/60/473338560.db2.gz DZJJDKKWAXZSFX-UHFFFAOYSA-N 1 2 332.473 2.764 40 0 EFABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2oc3ccccc3c2C)C1 ZINC000096205937 473341319 /nfs/dbraw/zinc/34/13/19/473341319.db2.gz PKPFTGZBGUGOSX-CQSZACIVSA-N 1 2 339.395 2.856 40 0 EFABLO Cc1cncc(C(=O)N2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)c1 ZINC000096216740 473350470 /nfs/dbraw/zinc/35/04/70/473350470.db2.gz KTLFJDNUAIYFFY-FQEVSTJZSA-N 1 2 336.439 2.918 40 0 EFABLO C[C@@H]1c2ncc(COCc3ccncc3)n2CC[N@@H+]1C1CCOCC1 ZINC000096218218 473351470 /nfs/dbraw/zinc/35/14/70/473351470.db2.gz MYLFJHWBWSXOBK-OAHLLOKOSA-N 1 2 342.443 2.551 40 0 EFABLO C[C@@H]1c2ncc(COCc3ccncc3)n2CC[N@H+]1C1CCOCC1 ZINC000096218218 473351480 /nfs/dbraw/zinc/35/14/80/473351480.db2.gz MYLFJHWBWSXOBK-OAHLLOKOSA-N 1 2 342.443 2.551 40 0 EFABLO Cc1nc(CN2CC[C@@]3(CCCN(c4cccc[nH+]4)C3)C2=O)cs1 ZINC000096224365 473355003 /nfs/dbraw/zinc/35/50/03/473355003.db2.gz SQHMCTYDWQDOJR-GOSISDBHSA-N 1 2 342.468 2.866 40 0 EFABLO Cc1cccc(N2CCC[C@@]3(C2)C[N@H+](Cc2cnn(C)c2)CCO3)c1 ZINC000096226243 473357482 /nfs/dbraw/zinc/35/74/82/473357482.db2.gz VGXKOHMARIZBQT-FQEVSTJZSA-N 1 2 340.471 2.600 40 0 EFABLO Cc1cccc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cnn(C)c2)CCO3)c1 ZINC000096226243 473357487 /nfs/dbraw/zinc/35/74/87/473357487.db2.gz VGXKOHMARIZBQT-FQEVSTJZSA-N 1 2 340.471 2.600 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccccn2)C1 ZINC000096244886 473362809 /nfs/dbraw/zinc/36/28/09/473362809.db2.gz YUGDBCSRWJRFFE-QAPCUYQASA-N 1 2 341.842 2.620 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000096244886 473362817 /nfs/dbraw/zinc/36/28/17/473362817.db2.gz YUGDBCSRWJRFFE-QAPCUYQASA-N 1 2 341.842 2.620 40 0 EFABLO CC(C)Nc1nc2c(c(N(C)C)n1)C[N@H+](Cc1ccsc1)CC2 ZINC000096254032 473364076 /nfs/dbraw/zinc/36/40/76/473364076.db2.gz BUIDPQDQLFIVSO-UHFFFAOYSA-N 1 2 331.489 2.983 40 0 EFABLO CC(C)Nc1nc2c(c(N(C)C)n1)C[N@@H+](Cc1ccsc1)CC2 ZINC000096254032 473364083 /nfs/dbraw/zinc/36/40/83/473364083.db2.gz BUIDPQDQLFIVSO-UHFFFAOYSA-N 1 2 331.489 2.983 40 0 EFABLO CC(C)NC(=O)N1CCC2(CCn3c(-c4ccncc4)c[nH+]c32)CC1 ZINC000096263433 473369599 /nfs/dbraw/zinc/36/95/99/473369599.db2.gz XFBUKLCUQDECSF-UHFFFAOYSA-N 1 2 339.443 2.800 40 0 EFABLO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1OCC1CC1 ZINC000096402763 473378891 /nfs/dbraw/zinc/37/88/91/473378891.db2.gz CQPKSGUDAQQDGO-UHFFFAOYSA-N 1 2 348.406 2.986 40 0 EFABLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000096405557 473382794 /nfs/dbraw/zinc/38/27/94/473382794.db2.gz BAKFDIYQFKMUSF-ZWKOTPCHSA-N 1 2 347.422 2.870 40 0 EFABLO C[C@H](C(=O)NCCc1nc(-c2cccc(Cl)c2)no1)n1cc[nH+]c1 ZINC000096406223 473383056 /nfs/dbraw/zinc/38/30/56/473383056.db2.gz QCJMAWWBOIBUIJ-LLVKDONJSA-N 1 2 345.790 2.506 40 0 EFABLO CCN(C(=O)NCc1ccc[nH+]c1N(C)C)[C@H](C)c1cccnc1 ZINC000096406814 473384264 /nfs/dbraw/zinc/38/42/64/473384264.db2.gz APGNGNHTVRMLMR-CQSZACIVSA-N 1 2 327.432 2.835 40 0 EFABLO C[NH+](C)[C@@H](CNC(=O)C1(C)CCOCC1)c1c(F)cccc1F ZINC000096406387 473384300 /nfs/dbraw/zinc/38/43/00/473384300.db2.gz SBRCALLCQJBVFL-AWEZNQCLSA-N 1 2 326.387 2.500 40 0 EFABLO CC[N@H+](CC(=O)NC(C)C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000006507223 471548379 /nfs/dbraw/zinc/54/83/79/471548379.db2.gz OOPHEYJCFHHHOJ-CYBMUJFWSA-N 1 2 337.489 2.582 40 0 EFABLO CC[N@@H+](CC(=O)NC(C)C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000006507223 471548383 /nfs/dbraw/zinc/54/83/83/471548383.db2.gz OOPHEYJCFHHHOJ-CYBMUJFWSA-N 1 2 337.489 2.582 40 0 EFABLO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](C)Cc2ccco2)cc1 ZINC000008198160 471670520 /nfs/dbraw/zinc/67/05/20/471670520.db2.gz UTQBOORNARWCSK-OAHLLOKOSA-N 1 2 343.427 2.505 40 0 EFABLO Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)Cc2ccco2)cc1 ZINC000008198160 471670525 /nfs/dbraw/zinc/67/05/25/471670525.db2.gz UTQBOORNARWCSK-OAHLLOKOSA-N 1 2 343.427 2.505 40 0 EFABLO COc1cccc([C@@H](NC(=O)Cc2ccccc2)c2[nH+]ccn2C)c1 ZINC000008216814 471672460 /nfs/dbraw/zinc/67/24/60/471672460.db2.gz FHOQYGPPJTVVQJ-LJQANCHMSA-N 1 2 335.407 2.877 40 0 EFABLO COc1ccccc1NC(=S)N1CC[NH+](Cc2ccco2)CC1 ZINC000013769445 471842245 /nfs/dbraw/zinc/84/22/45/471842245.db2.gz PKJWYGQVKBZRGZ-UHFFFAOYSA-N 1 2 331.441 2.803 40 0 EFABLO CCn1nnc2cc(C(=O)NCCn3c(C)[nH+]c4ccccc43)ccc21 ZINC000015136049 471891694 /nfs/dbraw/zinc/89/16/94/471891694.db2.gz RGVOSHUOQQCFLX-UHFFFAOYSA-N 1 2 348.410 2.539 40 0 EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@H+](Cc2ccncc2)C1 ZINC000015674927 471914447 /nfs/dbraw/zinc/91/44/47/471914447.db2.gz NTJBLNUGXXHAPC-CVEARBPZSA-N 1 2 340.358 2.579 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)[N@@H+](Cc2ccncc2)C1 ZINC000015674927 471914450 /nfs/dbraw/zinc/91/44/50/471914450.db2.gz NTJBLNUGXXHAPC-CVEARBPZSA-N 1 2 340.358 2.579 40 0 biogenic,in-vitro EFABLO C[C@H](C(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)n1cc[nH+]c1 ZINC000019078239 471976896 /nfs/dbraw/zinc/97/68/96/471976896.db2.gz ZUVVMHXFLFXVGA-HUUCEWRRSA-N 1 2 331.391 2.901 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000022750091 472020299 /nfs/dbraw/zinc/02/02/99/472020299.db2.gz YUGBGALPSZULBN-QGZVFWFLSA-N 1 2 335.363 2.668 40 0 EFABLO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cnc2c(c1)c(C)nn2C ZINC000024033035 472043005 /nfs/dbraw/zinc/04/30/05/472043005.db2.gz YSFVYIFIKPCAMP-UHFFFAOYSA-N 1 2 348.410 2.828 40 0 EFABLO O=S(=O)(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1F ZINC000024687477 472063851 /nfs/dbraw/zinc/06/38/51/472063851.db2.gz WWLXUIZJZFMNIL-UHFFFAOYSA-N 1 2 345.399 2.549 40 0 EFABLO Fc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000067898748 472106660 /nfs/dbraw/zinc/10/66/60/472106660.db2.gz ASXBYUSBKFLMJC-KRWDZBQOSA-N 1 2 331.391 2.768 40 0 biogenic,in-vitro EFABLO Fc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000067898748 472106665 /nfs/dbraw/zinc/10/66/65/472106665.db2.gz ASXBYUSBKFLMJC-KRWDZBQOSA-N 1 2 331.391 2.768 40 0 biogenic,in-vitro EFABLO O=C(CSc1[nH+]cc2ccccn21)c1ccc2c(c1)NC(=O)CO2 ZINC000026407272 472134918 /nfs/dbraw/zinc/13/49/18/472134918.db2.gz GFCSVKGKWCXRRR-UHFFFAOYSA-N 1 2 339.376 2.640 40 0 EFABLO Cc1nc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2n1C ZINC000026440049 472136196 /nfs/dbraw/zinc/13/61/96/472136196.db2.gz LGIVUDKIPWILCO-UHFFFAOYSA-N 1 2 348.450 2.840 40 0 EFABLO Cc1cccc2[nH+]c(CNC(=O)[C@@H](C)Sc3ccccn3)cn21 ZINC000084924519 472227491 /nfs/dbraw/zinc/22/74/91/472227491.db2.gz MCBIIGJHHGNOFD-CYBMUJFWSA-N 1 2 326.425 2.835 40 0 EFABLO CCOc1ccc(C[NH+]2CCN(c3cn[nH]c(=O)c3Cl)CC2)cc1 ZINC000028620778 472230036 /nfs/dbraw/zinc/23/00/36/472230036.db2.gz UDOVZRVOBBEXDI-UHFFFAOYSA-N 1 2 348.834 2.557 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1cccc(F)c1 ZINC000029081399 472250420 /nfs/dbraw/zinc/25/04/20/472250420.db2.gz XZCRZDLDMRURFL-QGZVFWFLSA-N 1 2 349.369 2.955 40 0 EFABLO O=C(CC1CCCCC1)N1CCCSC[C@@H]1C[NH+]1CCOCC1 ZINC000085473316 472253244 /nfs/dbraw/zinc/25/32/44/472253244.db2.gz JUYGUGZFNZDGHW-KRWDZBQOSA-N 1 2 340.533 2.623 40 0 EFABLO C[C@H](NC(=O)NCc1[nH+]ccn1C)c1cccc(N2CCCC2)c1 ZINC000087115270 472307355 /nfs/dbraw/zinc/30/73/55/472307355.db2.gz NBXZEXQKBYMJAY-AWEZNQCLSA-N 1 2 327.432 2.581 40 0 EFABLO COc1ccccc1[C@H](NC(=O)c1cc(Cl)c[nH]1)c1[nH+]ccn1C ZINC000044890370 472348473 /nfs/dbraw/zinc/34/84/73/472348473.db2.gz HYJMFJJQPGHKCN-HNNXBMFYSA-N 1 2 344.802 2.930 40 0 EFABLO O=C(C[C@@H]1COCC[N@H+]1Cc1ccc(CO)cc1)c1ccccc1 ZINC000097095913 472444071 /nfs/dbraw/zinc/44/40/71/472444071.db2.gz USXFDMKCPQLVOZ-LJQANCHMSA-N 1 2 325.408 2.653 40 0 EFABLO O=C(C[C@@H]1COCC[N@@H+]1Cc1ccc(CO)cc1)c1ccccc1 ZINC000097095913 472444075 /nfs/dbraw/zinc/44/40/75/472444075.db2.gz USXFDMKCPQLVOZ-LJQANCHMSA-N 1 2 325.408 2.653 40 0 EFABLO Cc1ccc(C(=O)CC[N@@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1 ZINC000097099779 472445907 /nfs/dbraw/zinc/44/59/07/472445907.db2.gz FBUKQYHCHQVMEE-LJQANCHMSA-N 1 2 327.428 2.549 40 0 EFABLO Cc1ccc(C(=O)CC[N@H+]2CCO[C@@](C)(c3cnn(C)c3)C2)cc1 ZINC000097099779 472445911 /nfs/dbraw/zinc/44/59/11/472445911.db2.gz FBUKQYHCHQVMEE-LJQANCHMSA-N 1 2 327.428 2.549 40 0 EFABLO CC(=O)c1c(F)cccc1NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000045733249 472449167 /nfs/dbraw/zinc/44/91/67/472449167.db2.gz HFPSIPQBKQHVJX-UHFFFAOYSA-N 1 2 329.375 2.872 40 0 EFABLO COC(=O)[C@@H](C)C[N@H+](C)Cn1nc(-c2ccc(C)cc2)oc1=S ZINC000032926925 472480474 /nfs/dbraw/zinc/48/04/74/472480474.db2.gz HLNXOWXYNJYKSL-LBPRGKRZSA-N 1 2 335.429 2.879 40 0 EFABLO COC(=O)[C@@H](C)C[N@@H+](C)Cn1nc(-c2ccc(C)cc2)oc1=S ZINC000032926925 472480480 /nfs/dbraw/zinc/48/04/80/472480480.db2.gz HLNXOWXYNJYKSL-LBPRGKRZSA-N 1 2 335.429 2.879 40 0 EFABLO COC(=O)C[NH+]1CCC(Nc2cc(-c3ncco3)ccc2C)CC1 ZINC000097371250 472492049 /nfs/dbraw/zinc/49/20/49/472492049.db2.gz DPJDFMXBXMFXKK-UHFFFAOYSA-N 1 2 329.400 2.699 40 0 EFABLO Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H](O)c2ccco2)c1 ZINC000077446281 472528511 /nfs/dbraw/zinc/52/85/11/472528511.db2.gz WQXAMRVTCKLUPV-AWEZNQCLSA-N 1 2 326.356 2.535 40 0 EFABLO Cc1ccc(-c2nn3c(C[NH+]4CCCCCC4)nnc3s2)cn1 ZINC000071260618 472546109 /nfs/dbraw/zinc/54/61/09/472546109.db2.gz RJXXVWKPINILLH-UHFFFAOYSA-N 1 2 328.445 2.932 40 0 EFABLO CN(Cc1cscn1)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058859934 472606866 /nfs/dbraw/zinc/60/68/66/472606866.db2.gz NVEWHEKRSKMENL-MRXNPFEDSA-N 1 2 347.509 2.892 40 0 EFABLO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N)[nH+]c2)cc1 ZINC000072212398 472632737 /nfs/dbraw/zinc/63/27/37/472632737.db2.gz BSMPSQGRQUJFQB-MRXNPFEDSA-N 1 2 331.441 2.888 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216219 472633122 /nfs/dbraw/zinc/63/31/22/472633122.db2.gz MZXZFNBADPHYOL-OAHLLOKOSA-N 1 2 333.432 2.990 40 0 EFABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc[nH+]c1N1CCOCC1 ZINC000072216230 472633423 /nfs/dbraw/zinc/63/34/23/472633423.db2.gz WCAVSWVXLLHQAC-SFHVURJKSA-N 1 2 337.423 2.896 40 0 EFABLO O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060603668 472671160 /nfs/dbraw/zinc/67/11/60/472671160.db2.gz NNOOZBKKQQUKDK-QGZVFWFLSA-N 1 2 349.390 2.501 40 0 EFABLO C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000078992696 472802178 /nfs/dbraw/zinc/80/21/78/472802178.db2.gz OTPIMKIAVVBNLL-SUMWQHHRSA-N 1 2 339.395 2.975 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@H+](Cc3ccccn3)[C@@H]2C1 ZINC000107249414 472936466 /nfs/dbraw/zinc/93/64/66/472936466.db2.gz YUGDBCSRWJRFFE-CRAIPNDOSA-N 1 2 341.842 2.620 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@@H+](Cc3ccccn3)[C@@H]2C1 ZINC000107249414 472936474 /nfs/dbraw/zinc/93/64/74/472936474.db2.gz YUGDBCSRWJRFFE-CRAIPNDOSA-N 1 2 341.842 2.620 40 0 EFABLO O[C@@H](Cn1cc[nH+]c1-c1cncc(Br)c1)C(F)(F)F ZINC000158513741 472942780 /nfs/dbraw/zinc/94/27/80/472942780.db2.gz UVGAHGSQEOQGMO-VIFPVBQESA-N 1 2 336.111 2.631 40 0 EFABLO Cc1ccc(OCc2cccc(C(=O)NCCn3cc[nH+]c3)c2)cn1 ZINC000074400113 473001481 /nfs/dbraw/zinc/00/14/81/473001481.db2.gz JVKWEGGKLLRLLV-UHFFFAOYSA-N 1 2 336.395 2.596 40 0 EFABLO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 ZINC000108971270 473072097 /nfs/dbraw/zinc/07/20/97/473072097.db2.gz DXCRHUCLSKDCDM-SJORKVTESA-N 1 2 345.443 2.756 40 0 EFABLO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 ZINC000108971270 473072101 /nfs/dbraw/zinc/07/21/01/473072101.db2.gz DXCRHUCLSKDCDM-SJORKVTESA-N 1 2 345.443 2.756 40 0 EFABLO Cc1nc2[nH]ccc2c(N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)[nH+]1 ZINC000080970672 473119123 /nfs/dbraw/zinc/11/91/23/473119123.db2.gz UNIWPLVLHKXFKF-HNNXBMFYSA-N 1 2 341.459 2.741 40 0 EFABLO O=C(C[NH+]1CC(c2nc(-c3ccsc3)no2)C1)Nc1ccccc1 ZINC000075156518 473142144 /nfs/dbraw/zinc/14/21/44/473142144.db2.gz XPUGUHIYEFXAKL-UHFFFAOYSA-N 1 2 340.408 2.836 40 0 EFABLO C[C@H]1SCCN(C(=O)NCc2[nH+]ccn2Cc2ccccc2)[C@H]1C ZINC000075456259 473188281 /nfs/dbraw/zinc/18/82/81/473188281.db2.gz VPWUYGJMQHMNFS-LSDHHAIUSA-N 1 2 344.484 2.967 40 0 EFABLO CCc1ccc(C[NH+]2CCN(C(=O)Cc3cccnc3)CC2)s1 ZINC000096414526 473394142 /nfs/dbraw/zinc/39/41/42/473394142.db2.gz ZJUASRDWFCGANN-UHFFFAOYSA-N 1 2 329.469 2.592 40 0 EFABLO CC[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000096415218 473395712 /nfs/dbraw/zinc/39/57/12/473395712.db2.gz RXZMEEVCQMHGOI-INIZCTEOSA-N 1 2 327.432 2.835 40 0 EFABLO C[C@@H](c1cccnc1)N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000096424290 473402738 /nfs/dbraw/zinc/40/27/38/473402738.db2.gz HIKQIERZLZHEMK-BXKMTCNYSA-N 1 2 343.496 2.568 40 0 EFABLO COc1cccc([C@@H](O)CN2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000096424337 473403188 /nfs/dbraw/zinc/40/31/88/473403188.db2.gz DLKZVYJPKOMDIT-UZLBHIALSA-N 1 2 341.455 2.502 40 0 EFABLO C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nc1)Oc1cccc(F)c1 ZINC000096426772 473406163 /nfs/dbraw/zinc/40/61/63/473406163.db2.gz LNRLLCAMZCFSSI-ZDUSSCGKSA-N 1 2 340.358 2.604 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000096433927 473412780 /nfs/dbraw/zinc/41/27/80/473412780.db2.gz OBVAJKGDYUZFJF-UHFFFAOYSA-N 1 2 343.431 2.563 40 0 EFABLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@]12CCc1ccccc12 ZINC000096436024 473414721 /nfs/dbraw/zinc/41/47/21/473414721.db2.gz RWCXWLLATFBGLK-NQIIRXRSSA-N 1 2 335.451 2.782 40 0 EFABLO C[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(-n2cccn2)cc1 ZINC000096435679 473415505 /nfs/dbraw/zinc/41/55/05/473415505.db2.gz SNUFHTPNYXELSW-LSDHHAIUSA-N 1 2 338.415 2.518 40 0 EFABLO CC(C)c1nc(NC(=O)c2oc3ccccc3c2C[NH+](C)C)n[nH]1 ZINC000096436270 473415625 /nfs/dbraw/zinc/41/56/25/473415625.db2.gz FYWMPJDDSXJABZ-UHFFFAOYSA-N 1 2 327.388 2.988 40 0 EFABLO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1cc(=O)n2ccccc2n1 ZINC000096448009 473426222 /nfs/dbraw/zinc/42/62/22/473426222.db2.gz HAMWDKVSXVIUOS-UHFFFAOYSA-N 1 2 340.452 2.662 40 0 EFABLO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1cc(=O)n2ccccc2n1 ZINC000096448009 473426229 /nfs/dbraw/zinc/42/62/29/473426229.db2.gz HAMWDKVSXVIUOS-UHFFFAOYSA-N 1 2 340.452 2.662 40 0 EFABLO CCn1cc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cn1 ZINC000096475159 473438735 /nfs/dbraw/zinc/43/87/35/473438735.db2.gz GWRRORHINKHLJP-UHFFFAOYSA-N 1 2 342.424 2.694 40 0 EFABLO Cc1ccc(-c2nc(CNc3[nH+]cnc(-n4cccn4)c3N)co2)cc1 ZINC000096483295 473442524 /nfs/dbraw/zinc/44/25/24/473442524.db2.gz MXDPTCFKTSLUJW-UHFFFAOYSA-N 1 2 347.382 2.820 40 0 EFABLO O=C(CC1CCCCC1)NC1CCC(C(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000114180641 473444176 /nfs/dbraw/zinc/44/41/76/473444176.db2.gz OCKGGEDIBJGKEV-UHFFFAOYSA-N 1 2 346.475 2.671 40 0 EFABLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc(C4CC4)no3)ccc2NC1=O ZINC000096492078 473447767 /nfs/dbraw/zinc/44/77/67/473447767.db2.gz OXCSBUXDDPRVQS-QMTHXVAHSA-N 1 2 342.399 2.907 40 0 EFABLO CS(=O)(=O)C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000096492362 473447934 /nfs/dbraw/zinc/44/79/34/473447934.db2.gz UJPQASOANSRSHD-MRXNPFEDSA-N 1 2 325.380 2.840 40 0 EFABLO O=C(C1=COCCC1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000096493006 473449705 /nfs/dbraw/zinc/44/97/05/473449705.db2.gz FUIQHDBXPMMGNY-UHFFFAOYSA-N 1 2 337.423 2.705 40 0 EFABLO COc1cncc(N2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)n1 ZINC000096496397 473451542 /nfs/dbraw/zinc/45/15/42/473451542.db2.gz MXKSIWRESNYDNN-ZDUSSCGKSA-N 1 2 339.399 2.510 40 0 EFABLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)c1cnn(C)c1 ZINC000096503154 473455088 /nfs/dbraw/zinc/45/50/88/473455088.db2.gz ZCCWYSFJOAWASL-KGLIPLIRSA-N 1 2 347.488 2.631 40 0 EFABLO C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1)c1cnn(C)c1 ZINC000096503155 473455624 /nfs/dbraw/zinc/45/56/24/473455624.db2.gz ZCCWYSFJOAWASL-ZIAGYGMSSA-N 1 2 347.488 2.631 40 0 EFABLO Cc1noc(C)c1[C@H](C)CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000151482885 473462913 /nfs/dbraw/zinc/46/29/13/473462913.db2.gz AAXZAMVBOMBSND-GFCCVEGCSA-N 1 2 331.420 2.638 40 0 EFABLO Cc1nc2ccccc2nc1C[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191202399 473505999 /nfs/dbraw/zinc/50/59/99/473505999.db2.gz ZBTPMPJLMOHNGQ-SFHVURJKSA-N 1 2 339.468 2.962 40 0 EFABLO Cc1nc2ccccc2nc1C[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191202399 473506001 /nfs/dbraw/zinc/50/60/01/473506001.db2.gz ZBTPMPJLMOHNGQ-SFHVURJKSA-N 1 2 339.468 2.962 40 0 EFABLO C[C@H](c1nnnn1C1CC1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000191960066 473593823 /nfs/dbraw/zinc/59/38/23/473593823.db2.gz MSHSXSZGPHQGJD-CQSZACIVSA-N 1 2 327.432 2.860 40 0 EFABLO O=C(OC[C@H]1CCOc2ccccc21)c1ccnc(-n2cc[nH+]c2)c1 ZINC000127839529 473654810 /nfs/dbraw/zinc/65/48/10/473654810.db2.gz HSPHATXVHMKSHK-OAHLLOKOSA-N 1 2 335.363 2.990 40 0 EFABLO OC[C@H]1CCCCN1c1cc(N2CCC[C@H](C(F)(F)F)C2)[nH+]cn1 ZINC000192265892 473659892 /nfs/dbraw/zinc/65/98/92/473659892.db2.gz PTLPWFKZTOMOGN-QWHCGFSZSA-N 1 2 344.381 2.607 40 0 EFABLO OC[C@H]1CCCCN1c1cc(N2CCC[C@H](C(F)(F)F)C2)nc[nH+]1 ZINC000192265892 473659894 /nfs/dbraw/zinc/65/98/94/473659894.db2.gz PTLPWFKZTOMOGN-QWHCGFSZSA-N 1 2 344.381 2.607 40 0 EFABLO c1c[nH]c([C@H]([NH2+]C[C@@H]2COC3(CCCCCC3)O2)c2cccnc2)n1 ZINC000195102908 474006872 /nfs/dbraw/zinc/00/68/72/474006872.db2.gz HVURKGCOXYFEQW-IAGOWNOFSA-N 1 2 342.443 2.950 40 0 EFABLO CCn1c(SCC[N@@H+]2CCOC[C@H]2C)nnc1-c1cccs1 ZINC000188182611 474012082 /nfs/dbraw/zinc/01/20/82/474012082.db2.gz KQPZOBNAOSBICS-GFCCVEGCSA-N 1 2 338.502 2.839 40 0 EFABLO CCn1c(SCC[N@H+]2CCOC[C@H]2C)nnc1-c1cccs1 ZINC000188182611 474012088 /nfs/dbraw/zinc/01/20/88/474012088.db2.gz KQPZOBNAOSBICS-GFCCVEGCSA-N 1 2 338.502 2.839 40 0 EFABLO COC(=O)CCc1csc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000195230645 474034221 /nfs/dbraw/zinc/03/42/21/474034221.db2.gz FSJQIMGDSXHSHZ-INIZCTEOSA-N 1 2 346.452 2.822 40 0 EFABLO COC(=O)CCc1csc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000195230645 474034230 /nfs/dbraw/zinc/03/42/30/474034230.db2.gz FSJQIMGDSXHSHZ-INIZCTEOSA-N 1 2 346.452 2.822 40 0 EFABLO O=C(c1cncc(F)c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282460411 474074177 /nfs/dbraw/zinc/07/41/77/474074177.db2.gz WBGQLZFLRODBQE-ZDUSSCGKSA-N 1 2 328.391 2.773 40 0 EFABLO CS[C@@H]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3ccccn3)CC2)C1 ZINC000195564800 474097834 /nfs/dbraw/zinc/09/78/34/474097834.db2.gz IFYCCWPZGQRZMG-ARFHVFGLSA-N 1 2 348.516 2.754 40 0 EFABLO CC1(C)CCC(S(=O)(=O)NCc2cccnc2-n2cc[nH+]c2)CC1 ZINC000195579895 474101584 /nfs/dbraw/zinc/10/15/84/474101584.db2.gz JHEKOAGDKKPXIE-UHFFFAOYSA-N 1 2 348.472 2.656 40 0 EFABLO CCc1ccccc1NC(=O)Nc1c[nH+]c(N(C)C)nc1N(C)C ZINC000224140918 474194974 /nfs/dbraw/zinc/19/49/74/474194974.db2.gz XMXZRMCWUICRQX-UHFFFAOYSA-N 1 2 328.420 2.815 40 0 EFABLO Cc1cccc(C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)c1 ZINC000224350814 474196439 /nfs/dbraw/zinc/19/64/39/474196439.db2.gz BLJJYYWSKBTCRH-UHFFFAOYSA-N 1 2 325.416 2.704 40 0 EFABLO O=C(NCCOCc1ccccc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000225145959 474204498 /nfs/dbraw/zinc/20/44/98/474204498.db2.gz JXSOCHIPXGGAOH-UHFFFAOYSA-N 1 2 335.407 2.878 40 0 EFABLO CCc1cc(N)nc(S[C@H](C)C(=O)NCCc2cccs2)[nH+]1 ZINC000225445678 474213805 /nfs/dbraw/zinc/21/38/05/474213805.db2.gz NJBRURYFQHFAAR-SNVBAGLBSA-N 1 2 336.486 2.522 40 0 EFABLO CCc1cc(N)nc(S[C@@H](C)C(=O)NCCc2cccs2)[nH+]1 ZINC000225445715 474214084 /nfs/dbraw/zinc/21/40/84/474214084.db2.gz NJBRURYFQHFAAR-JTQLQIEISA-N 1 2 336.486 2.522 40 0 EFABLO O=C(C[N@H+]1CCC[C@@H](O)C1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000247848466 474215577 /nfs/dbraw/zinc/21/55/77/474215577.db2.gz FTKGHJJUQFAWHN-QAPCUYQASA-N 1 2 348.443 2.550 40 0 EFABLO O=C(C[N@@H+]1CCC[C@@H](O)C1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000247848466 474215587 /nfs/dbraw/zinc/21/55/87/474215587.db2.gz FTKGHJJUQFAWHN-QAPCUYQASA-N 1 2 348.443 2.550 40 0 EFABLO Nc1[nH+]cnc(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1Cl ZINC000225485054 474216501 /nfs/dbraw/zinc/21/65/01/474216501.db2.gz MZDXINJCRDLCEH-MRVPVSSYSA-N 1 2 346.744 2.769 40 0 EFABLO Nc1nc[nH+]c(N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1Cl ZINC000225485054 474216505 /nfs/dbraw/zinc/21/65/05/474216505.db2.gz MZDXINJCRDLCEH-MRVPVSSYSA-N 1 2 346.744 2.769 40 0 EFABLO c1nc(N2CCC(c3noc(C4CC4)n3)CC2)cc(N2CCCC2)[nH+]1 ZINC000225486000 474218023 /nfs/dbraw/zinc/21/80/23/474218023.db2.gz PQCUENLFVHDBLG-UHFFFAOYSA-N 1 2 340.431 2.721 40 0 EFABLO c1nc(N2CCCC2)cc(N2CCC(c3noc(C4CC4)n3)CC2)[nH+]1 ZINC000225486000 474218031 /nfs/dbraw/zinc/21/80/31/474218031.db2.gz PQCUENLFVHDBLG-UHFFFAOYSA-N 1 2 340.431 2.721 40 0 EFABLO CC(C)OC(=O)C[C@@H]1CCCN(c2cc(N3CCCC3)[nH+]cn2)C1 ZINC000225486048 474218691 /nfs/dbraw/zinc/21/86/91/474218691.db2.gz VJIWWNGRTVEFAL-HNNXBMFYSA-N 1 2 332.448 2.635 40 0 EFABLO CC(C)OC(=O)C[C@@H]1CCCN(c2cc(N3CCCC3)nc[nH+]2)C1 ZINC000225486048 474218695 /nfs/dbraw/zinc/21/86/95/474218695.db2.gz VJIWWNGRTVEFAL-HNNXBMFYSA-N 1 2 332.448 2.635 40 0 EFABLO c1cncc(C[NH+]2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)c1 ZINC000247893107 474221761 /nfs/dbraw/zinc/22/17/61/474221761.db2.gz UDMQEKRNLMUQSP-IBGZPJMESA-N 1 2 346.471 2.506 40 0 EFABLO COc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CCO3)cc1 ZINC000247921660 474226366 /nfs/dbraw/zinc/22/63/66/474226366.db2.gz XZISKVNSMWOOBQ-SFHVURJKSA-N 1 2 340.423 2.903 40 0 EFABLO O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000225607209 474228748 /nfs/dbraw/zinc/22/87/48/474228748.db2.gz MCYSJAMSTBDRTD-ABAIWWIYSA-N 1 2 337.782 2.639 40 0 EFABLO Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)no1 ZINC000247944661 474228932 /nfs/dbraw/zinc/22/89/32/474228932.db2.gz VVJOKAMLIOQIIX-MJGOQNOKSA-N 1 2 343.427 2.828 40 0 EFABLO Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)no1 ZINC000247944661 474228937 /nfs/dbraw/zinc/22/89/37/474228937.db2.gz VVJOKAMLIOQIIX-MJGOQNOKSA-N 1 2 343.427 2.828 40 0 EFABLO Cc1cnn([C@H]2CCCN(C(=O)NCc3[nH+]ccn3CC(C)C)C2)c1 ZINC000175473259 474229858 /nfs/dbraw/zinc/22/98/58/474229858.db2.gz HZDSBNLBSSEWQE-INIZCTEOSA-N 1 2 344.463 2.591 40 0 EFABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCc2cccc(C)n2)CS3)no1 ZINC000247954439 474231475 /nfs/dbraw/zinc/23/14/75/474231475.db2.gz ZMTUYMWOWJSWPW-KRWDZBQOSA-N 1 2 345.468 2.963 40 0 EFABLO O=C(NCCc1cn2ccccc2[nH+]1)N1CCC=C(Br)C1 ZINC000225650169 474232902 /nfs/dbraw/zinc/23/29/02/474232902.db2.gz YWKPDCRWMLMXEP-UHFFFAOYSA-N 1 2 349.232 2.571 40 0 EFABLO Nc1cc(CSc2n[nH]c(-c3ccc4c(c3)OCCO4)n2)cc[nH+]1 ZINC000225689684 474236618 /nfs/dbraw/zinc/23/66/18/474236618.db2.gz HIUXMMPYZOCUKI-UHFFFAOYSA-N 1 2 341.396 2.512 40 0 EFABLO Nc1cc(CSc2nc(-c3ccc4c(c3)OCCO4)n[nH]2)cc[nH+]1 ZINC000225689684 474236622 /nfs/dbraw/zinc/23/66/22/474236622.db2.gz HIUXMMPYZOCUKI-UHFFFAOYSA-N 1 2 341.396 2.512 40 0 EFABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCC2CCCC2)CS3)n(C)n1 ZINC000248041042 474249499 /nfs/dbraw/zinc/24/94/99/474249499.db2.gz OGBCFPXOMUJCHA-KRWDZBQOSA-N 1 2 335.517 2.995 40 0 EFABLO COC(=O)c1occc1C[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000182843510 474269308 /nfs/dbraw/zinc/26/93/08/474269308.db2.gz HTXQCJDMIQMPIV-UHFFFAOYSA-N 1 2 330.384 2.813 40 0 EFABLO OC[C@@H]1CCCCN1c1cc(N2CCC[C@@H](C(F)(F)F)C2)[nH+]cn1 ZINC000249317357 474556363 /nfs/dbraw/zinc/55/63/63/474556363.db2.gz PTLPWFKZTOMOGN-OLZOCXBDSA-N 1 2 344.381 2.607 40 0 EFABLO OC[C@@H]1CCCCN1c1cc(N2CCC[C@@H](C(F)(F)F)C2)nc[nH+]1 ZINC000249317357 474556370 /nfs/dbraw/zinc/55/63/70/474556370.db2.gz PTLPWFKZTOMOGN-OLZOCXBDSA-N 1 2 344.381 2.607 40 0 EFABLO COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCSCC2)cc1 ZINC000244983884 474569958 /nfs/dbraw/zinc/56/99/58/474569958.db2.gz IVEZFMFEYAXMAI-INIZCTEOSA-N 1 2 346.452 2.808 40 0 EFABLO O=C(NC[C@H](c1ccco1)[NH+]1CCSCC1)c1ccccc1F ZINC000245187570 474570616 /nfs/dbraw/zinc/57/06/16/474570616.db2.gz ZOWXVJBGFGGWOS-OAHLLOKOSA-N 1 2 334.416 2.939 40 0 EFABLO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245287253 474573469 /nfs/dbraw/zinc/57/34/69/474573469.db2.gz BRCNPISXZRHFHQ-VBNZEHGJSA-N 1 2 340.826 2.767 40 0 EFABLO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245287253 474573476 /nfs/dbraw/zinc/57/34/76/474573476.db2.gz BRCNPISXZRHFHQ-VBNZEHGJSA-N 1 2 340.826 2.767 40 0 EFABLO Cc1cc(NC(=O)NCc2ccnn2C)c[nH+]c1N1CCCC[C@H]1C ZINC000272697100 474623582 /nfs/dbraw/zinc/62/35/82/474623582.db2.gz SDRYUJSRYCKHKS-CQSZACIVSA-N 1 2 342.447 2.824 40 0 EFABLO Cc1noc(C)c1C[N@H+]1Cc2cccn2C[C@@H](Oc2cccnc2)C1 ZINC000252019646 474656507 /nfs/dbraw/zinc/65/65/07/474656507.db2.gz XRFMGXFSTSZJLA-SFHVURJKSA-N 1 2 338.411 2.951 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1Cc2cccn2C[C@@H](Oc2cccnc2)C1 ZINC000252019646 474656513 /nfs/dbraw/zinc/65/65/13/474656513.db2.gz XRFMGXFSTSZJLA-SFHVURJKSA-N 1 2 338.411 2.951 40 0 EFABLO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1CCN(CC(F)F)CC1 ZINC000252489729 474675657 /nfs/dbraw/zinc/67/56/57/474675657.db2.gz JYPPRIMJVMOPIB-UHFFFAOYSA-N 1 2 334.370 2.992 40 0 EFABLO COc1ccccc1[C@@H](NC(=O)CCc1c[nH+]cn1C)c1ccco1 ZINC000252492739 474678285 /nfs/dbraw/zinc/67/82/85/474678285.db2.gz MUSHKCOWZXJDNE-LJQANCHMSA-N 1 2 339.395 2.860 40 0 EFABLO COc1cccc(C2CCN(C(=O)CCc3c[nH+]cn3C)CC2)c1F ZINC000252495723 474678453 /nfs/dbraw/zinc/67/84/53/474678453.db2.gz OXSJSBQZCYVDQW-UHFFFAOYSA-N 1 2 345.418 2.907 40 0 EFABLO C[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H](C)N1Cc1ccc(F)cn1 ZINC000252495980 474680608 /nfs/dbraw/zinc/68/06/08/474680608.db2.gz PEAUUYVOTCAYCN-OKILXGFUSA-N 1 2 332.398 2.850 40 0 EFABLO C[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H](C)N1Cc1ccc(F)cn1 ZINC000252495980 474680619 /nfs/dbraw/zinc/68/06/19/474680619.db2.gz PEAUUYVOTCAYCN-OKILXGFUSA-N 1 2 332.398 2.850 40 0 EFABLO C[C@@H]1CN(Cc2ccc(F)cn2)C[C@H](C)[N@H+]1Cc1ccc(F)cn1 ZINC000252495980 474680630 /nfs/dbraw/zinc/68/06/30/474680630.db2.gz PEAUUYVOTCAYCN-OKILXGFUSA-N 1 2 332.398 2.850 40 0 EFABLO C[C@@H]1CN(Cc2ccc(F)cn2)C[C@H](C)[N@@H+]1Cc1ccc(F)cn1 ZINC000252495980 474680637 /nfs/dbraw/zinc/68/06/37/474680637.db2.gz PEAUUYVOTCAYCN-OKILXGFUSA-N 1 2 332.398 2.850 40 0 EFABLO COc1ccc([C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(F)(F)F)cc1F ZINC000252502639 474682647 /nfs/dbraw/zinc/68/26/47/474682647.db2.gz USEIMGJPQGTKNR-CQSZACIVSA-N 1 2 345.296 2.910 40 0 EFABLO COc1ccc([C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(F)(F)F)cc1F ZINC000252502639 474682658 /nfs/dbraw/zinc/68/26/58/474682658.db2.gz USEIMGJPQGTKNR-CQSZACIVSA-N 1 2 345.296 2.910 40 0 EFABLO O=C(NCc1ccc(F)cc1)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000252505131 474682840 /nfs/dbraw/zinc/68/28/40/474682840.db2.gz VPDKSUVUTCOABM-UHFFFAOYSA-N 1 2 329.375 2.974 40 0 EFABLO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000253370021 474728472 /nfs/dbraw/zinc/72/84/72/474728472.db2.gz LCCNHMUEAYWTSH-IJEWVQPXSA-N 1 2 342.361 2.534 40 0 EFABLO CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000253370021 474728478 /nfs/dbraw/zinc/72/84/78/474728478.db2.gz LCCNHMUEAYWTSH-IJEWVQPXSA-N 1 2 342.361 2.534 40 0 EFABLO FCCn1ncnc1C[N@@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000253425450 474751653 /nfs/dbraw/zinc/75/16/53/474751653.db2.gz CXWPZFKTORDPEI-CYBMUJFWSA-N 1 2 349.479 2.963 40 0 EFABLO FCCn1ncnc1C[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000253425450 474751661 /nfs/dbraw/zinc/75/16/61/474751661.db2.gz CXWPZFKTORDPEI-CYBMUJFWSA-N 1 2 349.479 2.963 40 0 EFABLO CC[C@H]1C[N@H+](Cc2cncc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000253428921 474755341 /nfs/dbraw/zinc/75/53/41/474755341.db2.gz NXKTUOJKPPGGPT-LSDHHAIUSA-N 1 2 341.249 2.614 40 0 EFABLO CC[C@H]1C[N@@H+](Cc2cncc(Br)c2)C[C@@]2(CCOC2)O1 ZINC000253428921 474755349 /nfs/dbraw/zinc/75/53/49/474755349.db2.gz NXKTUOJKPPGGPT-LSDHHAIUSA-N 1 2 341.249 2.614 40 0 EFABLO Cc1cc(C[N@H+]2Cc3ccnn3C[C@H](OCC3CCCC3)C2)n(C)n1 ZINC000306128590 474806401 /nfs/dbraw/zinc/80/64/01/474806401.db2.gz HFQGDVXAMZTMIL-LJQANCHMSA-N 1 2 343.475 2.516 40 0 EFABLO Cc1cc(C[N@@H+]2Cc3ccnn3C[C@H](OCC3CCCC3)C2)n(C)n1 ZINC000306128590 474806410 /nfs/dbraw/zinc/80/64/10/474806410.db2.gz HFQGDVXAMZTMIL-LJQANCHMSA-N 1 2 343.475 2.516 40 0 EFABLO CCOCC(=O)N1CCC2(Cc3[nH+]cc(-c4ccsc4)n3C2)CC1 ZINC000306142458 474811309 /nfs/dbraw/zinc/81/13/09/474811309.db2.gz WZQAIIQRDYMZOS-UHFFFAOYSA-N 1 2 345.468 2.813 40 0 EFABLO CNc1ncccc1C[N@@H+]1CCC[C@]1(C)c1nc(C)cc(N(C)C)n1 ZINC000257239331 474926564 /nfs/dbraw/zinc/92/65/64/474926564.db2.gz HOUNWPJMLYXOQZ-LJQANCHMSA-N 1 2 340.475 2.799 40 0 EFABLO CNc1ncccc1C[N@H+]1CCC[C@]1(C)c1nc(C)cc(N(C)C)n1 ZINC000257239331 474926572 /nfs/dbraw/zinc/92/65/72/474926572.db2.gz HOUNWPJMLYXOQZ-LJQANCHMSA-N 1 2 340.475 2.799 40 0 EFABLO Cc1c[nH]nc1[C@H]1CCCCN1C(=O)Cc1c(C)[nH+]c2ccccn21 ZINC000257281864 474929080 /nfs/dbraw/zinc/92/90/80/474929080.db2.gz ORHAOOFIPLRYNI-OAHLLOKOSA-N 1 2 337.427 2.971 40 0 EFABLO Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)Cc1c(C)[nH+]c2ccccn21 ZINC000257281863 474930732 /nfs/dbraw/zinc/93/07/32/474930732.db2.gz ORHAOOFIPLRYNI-HNNXBMFYSA-N 1 2 337.427 2.971 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)nc2)CC[N@@H+]1C ZINC000257287598 474933138 /nfs/dbraw/zinc/93/31/38/474933138.db2.gz PQQKKMAAZPHDPP-KRWDZBQOSA-N 1 2 325.412 2.528 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)nc2)CC[N@H+]1C ZINC000257287598 474933153 /nfs/dbraw/zinc/93/31/53/474933153.db2.gz PQQKKMAAZPHDPP-KRWDZBQOSA-N 1 2 325.412 2.528 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)cc[nH+]1 ZINC000257295206 474936376 /nfs/dbraw/zinc/93/63/76/474936376.db2.gz QXKVZVFWXNEHGM-HNNXBMFYSA-N 1 2 339.395 2.872 40 0 EFABLO Cc1ccn(CCC(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)n1 ZINC000257292788 474936947 /nfs/dbraw/zinc/93/69/47/474936947.db2.gz QMYRMWOLSMISMD-KRWDZBQOSA-N 1 2 335.411 2.562 40 0 EFABLO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(C)cn2C)cc1CO ZINC000257296795 474937657 /nfs/dbraw/zinc/93/76/57/474937657.db2.gz RELACKLZZSSKEE-QGZVFWFLSA-N 1 2 329.444 2.957 40 0 EFABLO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nc(C)cn2C)cc1CO ZINC000257296795 474937663 /nfs/dbraw/zinc/93/76/63/474937663.db2.gz RELACKLZZSSKEE-QGZVFWFLSA-N 1 2 329.444 2.957 40 0 EFABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)n2)n1C ZINC000257296908 474938267 /nfs/dbraw/zinc/93/82/67/474938267.db2.gz REYMGSLTJGPNRL-CQSZACIVSA-N 1 2 341.459 2.938 40 0 EFABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)C(C)(C)C)C3)n2)n1C ZINC000257296907 474938405 /nfs/dbraw/zinc/93/84/05/474938405.db2.gz REYMGSLTJGPNRL-AWEZNQCLSA-N 1 2 341.459 2.938 40 0 EFABLO Cc1nc(C)c(CC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000257298453 474938426 /nfs/dbraw/zinc/93/84/26/474938426.db2.gz RLQVNPYWXAZTDB-OAHLLOKOSA-N 1 2 344.484 2.825 40 0 EFABLO Cc1nc(C)c(CC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)s1 ZINC000257298452 474938527 /nfs/dbraw/zinc/93/85/27/474938527.db2.gz RLQVNPYWXAZTDB-HNNXBMFYSA-N 1 2 344.484 2.825 40 0 EFABLO CNc1nccnc1[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257298147 474939094 /nfs/dbraw/zinc/93/90/94/474939094.db2.gz RKKIGBHBSITRFF-KRWDZBQOSA-N 1 2 335.411 2.640 40 0 EFABLO CNc1nccnc1[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000257298147 474939100 /nfs/dbraw/zinc/93/91/00/474939100.db2.gz RKKIGBHBSITRFF-KRWDZBQOSA-N 1 2 335.411 2.640 40 0 EFABLO Cc1cn(C)c([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257295509 474939198 /nfs/dbraw/zinc/93/91/98/474939198.db2.gz QYPAAGQAPNSLNV-CQSZACIVSA-N 1 2 343.456 2.754 40 0 EFABLO Cc1cn(C)c([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257295509 474939205 /nfs/dbraw/zinc/93/92/05/474939205.db2.gz QYPAAGQAPNSLNV-CQSZACIVSA-N 1 2 343.456 2.754 40 0 EFABLO Cc1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000257300278 474939831 /nfs/dbraw/zinc/93/98/31/474939831.db2.gz RTSHFARXLMHSHQ-INIZCTEOSA-N 1 2 347.484 2.576 40 0 EFABLO Cc1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000257300278 474939838 /nfs/dbraw/zinc/93/98/38/474939838.db2.gz RTSHFARXLMHSHQ-INIZCTEOSA-N 1 2 347.484 2.576 40 0 EFABLO CNc1cc([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc[nH+]1 ZINC000257302274 474943670 /nfs/dbraw/zinc/94/36/70/474943670.db2.gz SCGDWPPUFCPAPD-CYBMUJFWSA-N 1 2 337.470 2.753 40 0 EFABLO CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257304064 474943845 /nfs/dbraw/zinc/94/38/45/474943845.db2.gz SJXSXBDBFVXQSS-AWEZNQCLSA-N 1 2 341.459 2.843 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)cc[nH+]1 ZINC000257307122 474944680 /nfs/dbraw/zinc/94/46/80/474944680.db2.gz SXHREFMOYGOSAI-AWEZNQCLSA-N 1 2 326.400 2.552 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)CCc3cnn(C)c3C)C2)cc[nH+]1 ZINC000257307565 474945162 /nfs/dbraw/zinc/94/51/62/474945162.db2.gz SZGIOAYJFKVUJH-KRWDZBQOSA-N 1 2 341.459 2.504 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)[nH+]1 ZINC000257307847 474945219 /nfs/dbraw/zinc/94/52/19/474945219.db2.gz TUJJRALVPAROAK-ZDUSSCGKSA-N 1 2 328.416 2.615 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)cc[nH+]1 ZINC000257311908 474946636 /nfs/dbraw/zinc/94/66/36/474946636.db2.gz ULNNYBQLQUSTCS-MRXNPFEDSA-N 1 2 338.411 2.690 40 0 EFABLO Cc1nc2cc(C(=O)N[C@H]3CCCN(c4cccc[nH+]4)C3)ccc2[nH]1 ZINC000257314779 474949331 /nfs/dbraw/zinc/94/93/31/474949331.db2.gz UYKKWANVBMWREZ-HNNXBMFYSA-N 1 2 335.411 2.665 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)[nH+]1 ZINC000257314564 474949370 /nfs/dbraw/zinc/94/93/70/474949370.db2.gz UXMIKSDKNJTRBN-CQSZACIVSA-N 1 2 332.473 2.751 40 0 EFABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)cc[nH+]1 ZINC000257313910 474949552 /nfs/dbraw/zinc/94/95/52/474949552.db2.gz UUQMAKJQSCSMNY-MRXNPFEDSA-N 1 2 337.427 2.792 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccc(F)c(Cl)c2)[nH+]1 ZINC000257315898 474949568 /nfs/dbraw/zinc/94/95/68/474949568.db2.gz VDEMWGHQJNDHIK-CQSZACIVSA-N 1 2 337.782 2.653 40 0 EFABLO CCOCC[N@@H+]1CCN(C(C)=O)C[C@@H]1c1ccc(OC(C)C)cc1 ZINC000257318417 474951966 /nfs/dbraw/zinc/95/19/66/474951966.db2.gz VNVRFMGCRCMYTI-LJQANCHMSA-N 1 2 334.460 2.716 40 0 EFABLO CCOCC[N@H+]1CCN(C(C)=O)C[C@@H]1c1ccc(OC(C)C)cc1 ZINC000257318417 474951970 /nfs/dbraw/zinc/95/19/70/474951970.db2.gz VNVRFMGCRCMYTI-LJQANCHMSA-N 1 2 334.460 2.716 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2c[nH]c3ccccc23)[nH+]1 ZINC000257322921 474953907 /nfs/dbraw/zinc/95/39/07/474953907.db2.gz WIAJWHRZHLTFBE-QGZVFWFLSA-N 1 2 338.411 2.732 40 0 EFABLO Cc1cnc([C@@H]2C[N@H+](Cc3ccccc3N3CCCC3)CCO2)cn1 ZINC000257325917 474954980 /nfs/dbraw/zinc/95/49/80/474954980.db2.gz WVAIOPWJMVIRDZ-FQEVSTJZSA-N 1 2 338.455 2.959 40 0 EFABLO Cc1cnc([C@@H]2C[N@@H+](Cc3ccccc3N3CCCC3)CCO2)cn1 ZINC000257325917 474954984 /nfs/dbraw/zinc/95/49/84/474954984.db2.gz WVAIOPWJMVIRDZ-FQEVSTJZSA-N 1 2 338.455 2.959 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)Cc2c(C)nc3ccccn32)cc[nH+]1 ZINC000257325143 474956360 /nfs/dbraw/zinc/95/63/60/474956360.db2.gz WRQXRFHJNCWIAK-INIZCTEOSA-N 1 2 349.438 2.986 40 0 EFABLO CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)C3CCCC3)C2)cc[nH+]1 ZINC000257330366 474956899 /nfs/dbraw/zinc/95/68/99/474956899.db2.gz XOBGXADFFQMUKT-OAHLLOKOSA-N 1 2 337.489 2.599 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)C3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257342612 474963354 /nfs/dbraw/zinc/96/33/54/474963354.db2.gz ZPLGNXWPBCUEAB-INIZCTEOSA-N 1 2 337.423 2.911 40 0 EFABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2C ZINC000261364928 474973815 /nfs/dbraw/zinc/97/38/15/474973815.db2.gz OSYXBSDTYVMXTR-NSHDSACASA-O 1 2 345.448 2.914 40 0 EFABLO Cc1cc(N[C@@H](CO)c2c(F)cccc2F)nc(-c2cccnc2)[nH+]1 ZINC000341506716 475098630 /nfs/dbraw/zinc/09/86/30/475098630.db2.gz UTIJIJXVSAIRCC-HNNXBMFYSA-N 1 2 342.349 3.271 40 0 EFABLO O=C(c1ccncc1)N1Cc2c[nH+]cn2CC[C@@H]1COc1ccccc1 ZINC000585097181 479280948 /nfs/dbraw/zinc/28/09/48/479280948.db2.gz IGVNIZDABDTPEK-QGZVFWFLSA-N 1 2 348.406 2.772 40 0 EFABLO c1cc2n(n1)CC[C@@H](COc1ccccn1)[N@@H+](Cc1cccnc1)C2 ZINC000585097133 479281848 /nfs/dbraw/zinc/28/18/48/479281848.db2.gz HQXJPMKWFHRTHF-SFHVURJKSA-N 1 2 335.411 2.527 40 0 EFABLO c1cc2n(n1)CC[C@@H](COc1ccccn1)[N@H+](Cc1cccnc1)C2 ZINC000585097133 479281855 /nfs/dbraw/zinc/28/18/55/479281855.db2.gz HQXJPMKWFHRTHF-SFHVURJKSA-N 1 2 335.411 2.527 40 0 EFABLO Fc1cccnc1OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccco1 ZINC000585098543 479282658 /nfs/dbraw/zinc/28/26/58/479282658.db2.gz ZHCPJCHTCYVFLK-HNNXBMFYSA-N 1 2 342.374 2.864 40 0 EFABLO Fc1cccnc1OC[C@@H]1CCn2nccc2C[N@H+]1Cc1ccco1 ZINC000585098543 479282666 /nfs/dbraw/zinc/28/26/66/479282666.db2.gz ZHCPJCHTCYVFLK-HNNXBMFYSA-N 1 2 342.374 2.864 40 0 EFABLO c1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCOc2ccccn2)nc1 ZINC000585102877 479284425 /nfs/dbraw/zinc/28/44/25/479284425.db2.gz LPUJBOPDGWGIKV-MRXNPFEDSA-N 1 2 325.412 2.537 40 0 EFABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1cccs1)C2)c1ccco1 ZINC000585103270 479284928 /nfs/dbraw/zinc/28/49/28/479284928.db2.gz STULVXXKXIXULF-AWEZNQCLSA-N 1 2 346.452 2.752 40 0 EFABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCc2cccnc2)CS3)no1 ZINC000585105204 479286194 /nfs/dbraw/zinc/28/61/94/479286194.db2.gz QBTRGQYSBRUZPZ-INIZCTEOSA-N 1 2 331.441 2.655 40 0 EFABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2C[C@H]2C)CC3)cc1 ZINC000585111086 479287081 /nfs/dbraw/zinc/28/70/81/479287081.db2.gz CWKDXZWDCNNVIH-CZUORRHYSA-N 1 2 325.412 2.599 40 0 EFABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)C2(F)CCC2)CC3)cc1 ZINC000585111352 479287835 /nfs/dbraw/zinc/28/78/35/479287835.db2.gz PYFARBFTNFYFNL-UHFFFAOYSA-N 1 2 343.402 2.836 40 0 EFABLO O=C(CC1CC1)NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111990 479289064 /nfs/dbraw/zinc/28/90/64/479289064.db2.gz GMGHCXMNDUXRMS-GOSISDBHSA-N 1 2 338.455 2.746 40 0 EFABLO O=C(CC1CC1)NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585111990 479289074 /nfs/dbraw/zinc/28/90/74/479289074.db2.gz GMGHCXMNDUXRMS-GOSISDBHSA-N 1 2 338.455 2.746 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)cc1 ZINC000585112601 479289281 /nfs/dbraw/zinc/28/92/81/479289281.db2.gz UDEHUXXHIWZENT-LJQANCHMSA-N 1 2 338.455 2.761 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCN3CCCC3=O)C2)cc1 ZINC000585112601 479289289 /nfs/dbraw/zinc/28/92/89/479289289.db2.gz UDEHUXXHIWZENT-LJQANCHMSA-N 1 2 338.455 2.761 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)C3CC3)C2)cc1 ZINC000585112891 479289542 /nfs/dbraw/zinc/28/95/42/479289542.db2.gz XYCRIUCOFGTFMP-SFHVURJKSA-N 1 2 338.455 2.665 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)C3CC3)C2)cc1 ZINC000585112891 479289547 /nfs/dbraw/zinc/28/95/47/479289547.db2.gz XYCRIUCOFGTFMP-SFHVURJKSA-N 1 2 338.455 2.665 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)c3c(C)onc3C(C)C)C2)cc[nH+]1 ZINC000585181497 479302184 /nfs/dbraw/zinc/30/21/84/479302184.db2.gz LIPNBPAZPCGPPS-OAHLLOKOSA-N 1 2 342.443 3.563 40 0 EFABLO CO[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1Cc1ccccc1C ZINC000585289359 479309396 /nfs/dbraw/zinc/30/93/96/479309396.db2.gz QFXYHSRKKYDYDT-KRZVHVFCSA-N 1 2 339.439 2.838 40 0 EFABLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000585291984 479310554 /nfs/dbraw/zinc/31/05/54/479310554.db2.gz UTKYSGKDNFCYLE-CJRIBOPCSA-N 1 2 337.423 2.877 40 0 EFABLO COc1ccc(C(=O)N2CCC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000575604921 479449326 /nfs/dbraw/zinc/44/93/26/479449326.db2.gz HXRZVIHPGRUECP-OAHLLOKOSA-N 1 2 330.359 2.913 40 0 EFABLO COc1ccccc1OCC(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000575612276 479454053 /nfs/dbraw/zinc/45/40/53/479454053.db2.gz KWSIPLMHRNRYGP-MRXNPFEDSA-N 1 2 342.395 2.539 40 0 EFABLO CC(C)c1ccc(C(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c(=O)[nH]1 ZINC000257272453 535370670 /nfs/dbraw/zinc/37/06/70/535370670.db2.gz NCLYROHEIRKCFA-AWEZNQCLSA-N 1 2 340.427 2.704 40 0 EFABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cnn(C)c1C ZINC000266356670 535702092 /nfs/dbraw/zinc/70/20/92/535702092.db2.gz DERNFAPLUSWUHI-UHFFFAOYSA-N 1 2 341.459 2.502 40 0 EFABLO CCc1nnsc1C(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257261662 535865306 /nfs/dbraw/zinc/86/53/06/535865306.db2.gz LIIAFCWUHMMIBB-CYBMUJFWSA-N 1 2 331.445 2.539 40 0 EFABLO c1csc(C[N@@H+]2CCO[C@@]3(CCC[C@@H]3COc3cccnc3)C2)n1 ZINC000299843049 545774361 /nfs/dbraw/zinc/77/43/61/545774361.db2.gz LKXFVOINBWBVOP-QAPCUYQASA-N 1 2 345.468 2.988 40 0 EFABLO c1csc(C[N@H+]2CCO[C@@]3(CCC[C@@H]3COc3cccnc3)C2)n1 ZINC000299843049 545774368 /nfs/dbraw/zinc/77/43/68/545774368.db2.gz LKXFVOINBWBVOP-QAPCUYQASA-N 1 2 345.468 2.988 40 0 EFABLO CCn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1Cc2ccccc21)C1CCOCC1 ZINC000332786296 545854340 /nfs/dbraw/zinc/85/43/40/545854340.db2.gz GOSOZNOPUCSDIW-MSOLQXFVSA-N 1 2 339.439 2.827 40 0 EFABLO Cc1cc(CNc2cc(S(N)(=O)=O)ccc2C)c2c([nH+]1)CCCC2 ZINC000902615623 1311942826 /nfs/dbraw/zinc/94/28/26/1311942826.db2.gz GNPAOGRCUGQBBW-UHFFFAOYSA-N 1 2 345.468 2.837 40 0 EFABLO O=C(NC[C@@]1(c2ccccc2)C[C@@H](O)C1)Nc1ccc2[nH+]ccn2c1 ZINC001341194516 1332241585 /nfs/dbraw/zinc/24/15/85/1332241585.db2.gz WDOXFBZRQSXQTQ-RUCARUNLSA-N 1 2 336.395 2.549 40 0 EFABLO c1nc2nc3c(c(NCCn4c[nH+]cc4-c4ccccc4)n2n1)CCC3 ZINC000894972459 723039208 /nfs/dbraw/zinc/03/92/08/723039208.db2.gz BMUZTUBLQDPRNT-UHFFFAOYSA-N 1 2 345.410 2.589 40 0 EFABLO Cn1ncc2c1nc[nH+]c2N1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000896885854 723573514 /nfs/dbraw/zinc/57/35/14/723573514.db2.gz MACDVPQOCZTAPS-IBGZPJMESA-N 1 2 333.395 2.808 40 0 EFABLO O=C(c1cc(=O)c2ccccc2o1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015345314 201955778 /nfs/dbraw/zinc/95/57/78/201955778.db2.gz YZAKXXZRPAGIGO-UHFFFAOYSA-N 1 2 348.402 2.751 40 0 EFABLO C[C@]12CCC(=O)N1CCC[N@@H+]2Cc1cnn(-c2ccc(F)cc2)c1 ZINC000019656830 202014778 /nfs/dbraw/zinc/01/47/78/202014778.db2.gz XRUONDTWRNRTMO-GOSISDBHSA-N 1 2 328.391 2.556 40 0 EFABLO C[C@]12CCC(=O)N1CCC[N@H+]2Cc1cnn(-c2ccc(F)cc2)c1 ZINC000019656830 202014781 /nfs/dbraw/zinc/01/47/81/202014781.db2.gz XRUONDTWRNRTMO-GOSISDBHSA-N 1 2 328.391 2.556 40 0 EFABLO Cc1ncc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)n1 ZINC000019937138 202027749 /nfs/dbraw/zinc/02/77/49/202027749.db2.gz OHFZGHRGHHVYRI-RMKNXTFCSA-N 1 2 336.439 2.565 40 0 EFABLO Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000067898758 202049070 /nfs/dbraw/zinc/04/90/70/202049070.db2.gz HHEHYRYXRVJBQS-HNNXBMFYSA-N 1 2 327.363 2.512 40 0 biogenic,in-vitro EFABLO O=C(c1cc2ccccc2s1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000022025305 202077955 /nfs/dbraw/zinc/07/79/55/202077955.db2.gz OMGDAQCDQHTRFD-HNNXBMFYSA-N 1 2 330.453 2.838 40 0 EFABLO O=C(NCc1cn2ccccc2[nH+]1)c1c[nH]nc1-c1ccc(F)cc1 ZINC000023754649 202107982 /nfs/dbraw/zinc/10/79/82/202107982.db2.gz DQWJWVJRBDKHGQ-UHFFFAOYSA-N 1 2 335.342 2.794 40 0 EFABLO CC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+](Cc3cccs3)CC2)c1C ZINC000023735838 202108082 /nfs/dbraw/zinc/10/80/82/202108082.db2.gz NWJGJTPEVFRBBI-UHFFFAOYSA-N 1 2 345.468 2.854 40 0 EFABLO c1ccc(-c2nnc(N3CC[NH+](Cc4cccnc4)CC3)s2)cc1 ZINC000024055704 202112635 /nfs/dbraw/zinc/11/26/35/202112635.db2.gz SECDJBWKPMJUTK-UHFFFAOYSA-N 1 2 337.452 2.922 40 0 EFABLO CC(=O)Nc1nc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)cs1 ZINC000025181182 202127944 /nfs/dbraw/zinc/12/79/44/202127944.db2.gz BDEHRGIPUFUNOY-UHFFFAOYSA-N 1 2 341.396 2.599 40 0 EFABLO COc1ccc([C@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)nc2)cc1F ZINC000025248766 202128449 /nfs/dbraw/zinc/12/84/49/202128449.db2.gz GKABUUMPWRAIAF-LBPRGKRZSA-N 1 2 340.358 2.906 40 0 EFABLO Cc1ccc(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030750981 202197932 /nfs/dbraw/zinc/19/79/32/202197932.db2.gz LAPLRDPDGSESGX-UHFFFAOYSA-N 1 2 341.436 2.800 40 0 EFABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3ccc(Cl)s3)CC2)S1 ZINC000073118060 202368293 /nfs/dbraw/zinc/36/82/93/202368293.db2.gz FAHACRWAPGKPDN-VIFPVBQESA-N 1 2 329.878 2.651 40 0 EFABLO O=C(C[N@@H+]1CC[C@@H](CSc2ccccc2)C1)Nc1nncs1 ZINC000072798795 202368791 /nfs/dbraw/zinc/36/87/91/202368791.db2.gz QLDRGVWNCBSBLR-GFCCVEGCSA-N 1 2 334.470 2.591 40 0 EFABLO O=C(C[N@H+]1CC[C@@H](CSc2ccccc2)C1)Nc1nncs1 ZINC000072798795 202368793 /nfs/dbraw/zinc/36/87/93/202368793.db2.gz QLDRGVWNCBSBLR-GFCCVEGCSA-N 1 2 334.470 2.591 40 0 EFABLO O=C(CCc1cc(Br)cs1)NCCCn1cc[nH+]c1 ZINC000078657225 202398742 /nfs/dbraw/zinc/39/87/42/202398742.db2.gz CNWGWGGRMREAMZ-UHFFFAOYSA-N 1 2 342.262 2.846 40 0 EFABLO O=C(NCCCn1cc[nH+]c1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000078408674 202389926 /nfs/dbraw/zinc/38/99/26/202389926.db2.gz DERSXGWDDYMKDC-UHFFFAOYSA-N 1 2 334.370 2.926 40 0 EFABLO CSCC[C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000077348170 202391973 /nfs/dbraw/zinc/39/19/73/202391973.db2.gz AENCTHHJLPQOQF-AWEZNQCLSA-N 1 2 332.473 2.872 40 0 EFABLO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)c1c[nH]nc1C1CC1 ZINC000190324206 238390075 /nfs/dbraw/zinc/39/00/75/238390075.db2.gz QBLXWOOZFOYGBH-UHFFFAOYSA-N 1 2 339.443 2.993 40 0 EFABLO CC[C@H](O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1 ZINC000156083349 201399597 /nfs/dbraw/zinc/39/95/97/201399597.db2.gz DVHLAZBGHDRCET-FZMZJTMJSA-N 1 2 338.452 2.892 40 0 EFABLO Cc1cccn2c(CNc3cccc(S(=O)(=O)N(C)C)c3)c[nH+]c12 ZINC000193148683 240039964 /nfs/dbraw/zinc/03/99/64/240039964.db2.gz HUGCHIWFFXMRAU-UHFFFAOYSA-N 1 2 344.440 2.505 40 0 EFABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccccn2)[C@@H](C)C1 ZINC000252499619 240307363 /nfs/dbraw/zinc/30/73/63/240307363.db2.gz SCWBTURTVQZUQB-INIZCTEOSA-N 1 2 339.439 2.827 40 0 EFABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccccn2)[C@@H](C)C1 ZINC000252499619 240307370 /nfs/dbraw/zinc/30/73/70/240307370.db2.gz SCWBTURTVQZUQB-INIZCTEOSA-N 1 2 339.439 2.827 40 0 EFABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2ncoc2C)c1 ZINC000257339869 240312428 /nfs/dbraw/zinc/31/24/28/240312428.db2.gz ZDNLMKWLTRYFNU-HNNXBMFYSA-N 1 2 338.367 2.585 40 0 EFABLO O=C(Nc1nnc(C2CC2)s1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000022228068 212282922 /nfs/dbraw/zinc/28/29/22/212282922.db2.gz UTFDWKHKCGKAJZ-UHFFFAOYSA-N 1 2 344.440 2.500 40 0 EFABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1cccc(F)c1 ZINC000224355497 241753063 /nfs/dbraw/zinc/75/30/63/241753063.db2.gz WQVJQJLKMGDGFO-UHFFFAOYSA-N 1 2 343.406 2.924 40 0 EFABLO Nc1[nH+]cnc(N2CCC[C@@H]2c2cccc3c2OCCO3)c1Cl ZINC000242339198 243019567 /nfs/dbraw/zinc/01/95/67/243019567.db2.gz ZFTUKMBUFTYKMM-LLVKDONJSA-N 1 2 332.791 2.825 40 0 EFABLO c1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOc2cccnc2)nc1 ZINC000248087973 243520472 /nfs/dbraw/zinc/52/04/72/243520472.db2.gz KTQUSTPVBYWFDA-INIZCTEOSA-N 1 2 325.412 2.537 40 0 EFABLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ncnn3C(C)C)ccc2NC1=O ZINC000253430611 243982945 /nfs/dbraw/zinc/98/29/45/243982945.db2.gz FLELBLJFYXUVBT-WFASDCNBSA-N 1 2 343.431 2.819 40 0 EFABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000257205294 244133333 /nfs/dbraw/zinc/13/33/33/244133333.db2.gz AYKKAEGYKGLPLQ-ZDUSSCGKSA-N 1 2 345.424 2.549 40 0 EFABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000257205294 244133342 /nfs/dbraw/zinc/13/33/42/244133342.db2.gz AYKKAEGYKGLPLQ-ZDUSSCGKSA-N 1 2 345.424 2.549 40 0 EFABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc(C)nc4onc(C)c43)C2)[nH+]1 ZINC000257199631 244114309 /nfs/dbraw/zinc/11/43/09/244114309.db2.gz AAEYIQQGPLXURN-ZDUSSCGKSA-N 1 2 339.399 2.511 40 0 EFABLO c1ccc(C[N@@H+]2CC[C@@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000257203353 244128210 /nfs/dbraw/zinc/12/82/10/244128210.db2.gz APPTXBMDZUSAQE-MRXNPFEDSA-N 1 2 332.411 3.000 40 0 EFABLO c1ccc(C[N@H+]2CC[C@@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000257203353 244128216 /nfs/dbraw/zinc/12/82/16/244128216.db2.gz APPTXBMDZUSAQE-MRXNPFEDSA-N 1 2 332.411 3.000 40 0 EFABLO Cc1[nH+]cc(-c2nccnc2C[C@@H]2CCN(C(=O)C(C)(C)C)C2)n1C ZINC000257209110 244144685 /nfs/dbraw/zinc/14/46/85/244144685.db2.gz BPAIBELIHHNECE-AWEZNQCLSA-N 1 2 341.459 2.623 40 0 EFABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)CCc1ccnn1C)C2 ZINC000257211681 244153469 /nfs/dbraw/zinc/15/34/69/244153469.db2.gz BZXHTKVDNAKQRN-SFHVURJKSA-N 1 2 349.438 2.641 40 0 EFABLO CNc1cccc(CC[C@@H]2CCCCN2C(=O)c2cnccn2)[nH+]1 ZINC000257213256 244157637 /nfs/dbraw/zinc/15/76/37/244157637.db2.gz CGUOVRKEPVPKTC-HNNXBMFYSA-N 1 2 325.416 2.541 40 0 EFABLO CNc1cc([C@H]2CCCN2S(=O)(=O)c2cccc(OC)c2)cc[nH+]1 ZINC000257214301 244161049 /nfs/dbraw/zinc/16/10/49/244161049.db2.gz CLMSFYDPYCKVGS-MRXNPFEDSA-N 1 2 347.440 2.658 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)cc[nH+]1 ZINC000257214591 244163449 /nfs/dbraw/zinc/16/34/49/244163449.db2.gz CMOOQOQDCKNFNV-AWEZNQCLSA-N 1 2 330.457 2.837 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)CCn2ncc3ccccc32)[nH+]1 ZINC000257217357 244171181 /nfs/dbraw/zinc/17/11/81/244171181.db2.gz CYPOAHCLEFZCHY-QGZVFWFLSA-N 1 2 337.427 2.832 40 0 EFABLO COc1ccc(F)cc1C(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257222042 244189682 /nfs/dbraw/zinc/18/96/82/244189682.db2.gz DRQMEWGEOJIFDM-HNNXBMFYSA-N 1 2 343.402 2.970 40 0 EFABLO Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)Cc1cccnc1 ZINC000257223159 244191217 /nfs/dbraw/zinc/19/12/17/244191217.db2.gz DWECFYZURXIPJM-KRWDZBQOSA-N 1 2 341.459 2.689 40 0 EFABLO Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CC[N@H+](C)Cc1cccnc1 ZINC000257223159 244191224 /nfs/dbraw/zinc/19/12/24/244191224.db2.gz DWECFYZURXIPJM-KRWDZBQOSA-N 1 2 341.459 2.689 40 0 EFABLO CCn1nc(C)c(C[N@@H+]2CCO[C@H](c3cccc(N(C)C)n3)C2)c1C ZINC000257224468 244193728 /nfs/dbraw/zinc/19/37/28/244193728.db2.gz FBYLGHNHOXIYIL-SFHVURJKSA-N 1 2 343.475 2.554 40 0 EFABLO CCn1nc(C)c(C[N@H+]2CCO[C@H](c3cccc(N(C)C)n3)C2)c1C ZINC000257224468 244193731 /nfs/dbraw/zinc/19/37/31/244193731.db2.gz FBYLGHNHOXIYIL-SFHVURJKSA-N 1 2 343.475 2.554 40 0 EFABLO Cc1[nH+]c2ccccn2c1CC(=O)N(C)C[C@@H]1Cc2ccccc2O1 ZINC000257224017 244194293 /nfs/dbraw/zinc/19/42/93/244194293.db2.gz DZXYBCMCKMBIBY-INIZCTEOSA-N 1 2 335.407 2.647 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)ccn1 ZINC000257226094 244201143 /nfs/dbraw/zinc/20/11/43/244201143.db2.gz FJDIKAMWIUYVNC-MRXNPFEDSA-N 1 2 327.432 2.506 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2Cc2c[nH]nc2-c2cccs2)[nH+]1 ZINC000257226648 244202108 /nfs/dbraw/zinc/20/21/08/244202108.db2.gz FLOIQHZKKKQHQM-CYBMUJFWSA-N 1 2 329.429 2.743 40 0 EFABLO Cc1cccc2nc(C(=O)N3CC[N@@H+](C)[C@H](c4ccccc4)C3)cn21 ZINC000257227993 244207685 /nfs/dbraw/zinc/20/76/85/244207685.db2.gz FRXFLQKQQGYZAL-SFHVURJKSA-N 1 2 334.423 2.772 40 0 EFABLO Cc1cccc2nc(C(=O)N3CC[N@H+](C)[C@H](c4ccccc4)C3)cn21 ZINC000257227993 244207691 /nfs/dbraw/zinc/20/76/91/244207691.db2.gz FRXFLQKQQGYZAL-SFHVURJKSA-N 1 2 334.423 2.772 40 0 EFABLO O=C(c1cccnc1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378418 203209752 /nfs/dbraw/zinc/20/97/52/203209752.db2.gz MFYDRUVDCIISDP-INIZCTEOSA-N 1 2 333.395 2.682 40 0 EFABLO Cc1csc(Nc2cc(C)nc([C@H]3CCCC[N@@H+]3CCO)n2)n1 ZINC000072382378 203209984 /nfs/dbraw/zinc/20/99/84/203209984.db2.gz QFNNAGYHMGPESF-CYBMUJFWSA-N 1 2 333.461 2.813 40 0 EFABLO Cc1csc(Nc2cc(C)nc([C@H]3CCCC[N@H+]3CCO)n2)n1 ZINC000072382378 203209988 /nfs/dbraw/zinc/20/99/88/203209988.db2.gz QFNNAGYHMGPESF-CYBMUJFWSA-N 1 2 333.461 2.813 40 0 EFABLO Cc1csc(Nc2cc(C)nc([C@@H]3CCCC[N@@H+]3CCO)n2)n1 ZINC000072382377 203210873 /nfs/dbraw/zinc/21/08/73/203210873.db2.gz QFNNAGYHMGPESF-ZDUSSCGKSA-N 1 2 333.461 2.813 40 0 EFABLO Cc1csc(Nc2cc(C)nc([C@@H]3CCCC[N@H+]3CCO)n2)n1 ZINC000072382377 203210875 /nfs/dbraw/zinc/21/08/75/203210875.db2.gz QFNNAGYHMGPESF-ZDUSSCGKSA-N 1 2 333.461 2.813 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](c2cncc(C)n2)C1 ZINC000257233685 244218635 /nfs/dbraw/zinc/21/86/35/244218635.db2.gz GQFGGCULJBZJSM-MRXNPFEDSA-N 1 2 349.438 2.849 40 0 EFABLO Cn1ccnc1-c1cnc(C2CC[NH+](Cc3cscn3)CC2)cn1 ZINC000257237806 244234961 /nfs/dbraw/zinc/23/49/61/244234961.db2.gz HIGDCTHDALMHFB-UHFFFAOYSA-N 1 2 340.456 2.713 40 0 EFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccco2)C3)C1 ZINC000072335608 203202358 /nfs/dbraw/zinc/20/23/58/203202358.db2.gz KYPKYHBJKOIZOA-ZDUSSCGKSA-N 1 2 328.416 2.570 40 0 EFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccco2)C3)C1 ZINC000072335608 203202361 /nfs/dbraw/zinc/20/23/61/203202361.db2.gz KYPKYHBJKOIZOA-ZDUSSCGKSA-N 1 2 328.416 2.570 40 0 EFABLO O=C(C1CCCC1)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350667 203204763 /nfs/dbraw/zinc/20/47/63/203204763.db2.gz HKQHDKZFTVBBKC-HNNXBMFYSA-N 1 2 325.416 2.559 40 0 EFABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN(c3cc(C)ncn3)C2)n1 ZINC000072355589 203204821 /nfs/dbraw/zinc/20/48/21/203204821.db2.gz ZARMBDDZYIHEJD-OAHLLOKOSA-N 1 2 349.442 2.707 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)c2cc(-c3cccnc3)n[nH]2)cc[nH+]1 ZINC000257240071 244240879 /nfs/dbraw/zinc/24/08/79/244240879.db2.gz HRXUKPQIYREQPT-QGZVFWFLSA-N 1 2 348.410 2.886 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)[nH+]1 ZINC000257246263 244258079 /nfs/dbraw/zinc/25/80/79/244258079.db2.gz ITIREOYSPUQWOK-LBPRGKRZSA-N 1 2 339.848 2.940 40 0 EFABLO Cc1cc(C)n(CC(=O)N2Cc3[nH+]cc(C)n3C[C@H]2c2ccccc2)n1 ZINC000257241487 244245499 /nfs/dbraw/zinc/24/54/99/244245499.db2.gz HYEPVFHEYWENAO-SFHVURJKSA-N 1 2 349.438 2.789 40 0 EFABLO Cc1cn(C)c([C@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257247135 244261196 /nfs/dbraw/zinc/26/11/96/244261196.db2.gz IXRDYGLTSAIVHE-GOSISDBHSA-N 1 2 325.412 2.578 40 0 EFABLO Cc1cn(C)c([C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCO2)n1 ZINC000257247135 244261201 /nfs/dbraw/zinc/26/12/01/244261201.db2.gz IXRDYGLTSAIVHE-GOSISDBHSA-N 1 2 325.412 2.578 40 0 EFABLO Cc1nc(C[N@@H+]2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)no1 ZINC000257250318 244267771 /nfs/dbraw/zinc/26/77/71/244267771.db2.gz JMAMSJYSQSJZGA-HNNXBMFYSA-N 1 2 326.400 2.550 40 0 EFABLO Cc1nc(C[N@H+]2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)no1 ZINC000257250318 244267777 /nfs/dbraw/zinc/26/77/77/244267777.db2.gz JMAMSJYSQSJZGA-HNNXBMFYSA-N 1 2 326.400 2.550 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)c2cc(C(C)C)no2)CC[N@@H+]1C ZINC000257251460 244270054 /nfs/dbraw/zinc/27/00/54/244270054.db2.gz JQVMDIWYLKSLMW-MRXNPFEDSA-N 1 2 343.427 2.936 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)c2cc(C(C)C)no2)CC[N@H+]1C ZINC000257251460 244270061 /nfs/dbraw/zinc/27/00/61/244270061.db2.gz JQVMDIWYLKSLMW-MRXNPFEDSA-N 1 2 343.427 2.936 40 0 EFABLO Nc1nccnc1[C@@H]1C[N@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257258006 244286433 /nfs/dbraw/zinc/28/64/33/244286433.db2.gz KRZZXROQBVGOFJ-AWEZNQCLSA-N 1 2 326.425 2.847 40 0 EFABLO Nc1nccnc1[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)CCO1 ZINC000257258006 244286441 /nfs/dbraw/zinc/28/64/41/244286441.db2.gz KRZZXROQBVGOFJ-AWEZNQCLSA-N 1 2 326.425 2.847 40 0 EFABLO Cc1cc2nnc(SCC[NH+]3CCOCC3)n2c2ccccc12 ZINC000020028369 212094469 /nfs/dbraw/zinc/09/44/69/212094469.db2.gz DGGLBQBYYLVDOR-UHFFFAOYSA-N 1 2 328.441 2.615 40 0 EFABLO CCCn1cc(C[N@@H+]2CCN(C(C)=O)C[C@H]2c2ccccc2)cn1 ZINC000257269639 244373106 /nfs/dbraw/zinc/37/31/06/244373106.db2.gz MQTRNTGXSFVHKJ-IBGZPJMESA-N 1 2 326.444 2.699 40 0 EFABLO CCCn1cc(C[N@H+]2CCN(C(C)=O)C[C@H]2c2ccccc2)cn1 ZINC000257269639 244373109 /nfs/dbraw/zinc/37/31/09/244373109.db2.gz MQTRNTGXSFVHKJ-IBGZPJMESA-N 1 2 326.444 2.699 40 0 EFABLO CCCn1cc(C[N@@H+]2CCN(C(C)=O)C[C@@H]2c2ccccc2)cn1 ZINC000257269640 244373463 /nfs/dbraw/zinc/37/34/63/244373463.db2.gz MQTRNTGXSFVHKJ-LJQANCHMSA-N 1 2 326.444 2.699 40 0 EFABLO CCCn1cc(C[N@H+]2CCN(C(C)=O)C[C@@H]2c2ccccc2)cn1 ZINC000257269640 244373473 /nfs/dbraw/zinc/37/34/73/244373473.db2.gz MQTRNTGXSFVHKJ-LJQANCHMSA-N 1 2 326.444 2.699 40 0 EFABLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000093441383 203258278 /nfs/dbraw/zinc/25/82/78/203258278.db2.gz GKIDJANTDDNXOT-BBRMVZONSA-N 1 2 333.359 2.502 40 0 EFABLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000093441383 203258282 /nfs/dbraw/zinc/25/82/82/203258282.db2.gz GKIDJANTDDNXOT-BBRMVZONSA-N 1 2 333.359 2.502 40 0 EFABLO Cc1nc(N2CCC[C@@](C)(C(=O)NCc3ccccc3F)C2)cc[nH+]1 ZINC000257261228 244346445 /nfs/dbraw/zinc/34/64/45/244346445.db2.gz LGGKDLXZFHXVNA-LJQANCHMSA-N 1 2 342.418 2.847 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccc3c(c2)CCCC3)[nH+]1 ZINC000257262262 244351379 /nfs/dbraw/zinc/35/13/79/244351379.db2.gz LKSVZPUDDRHTGR-SFHVURJKSA-N 1 2 339.439 2.740 40 0 EFABLO COc1ccc(CC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000257264676 244358317 /nfs/dbraw/zinc/35/83/17/244358317.db2.gz LVOWWMOXENOWMK-QGZVFWFLSA-N 1 2 339.439 2.760 40 0 EFABLO COc1ccc([C@@H]2CN(C(=O)c3sc(C)nc3C)CC[N@@H+]2C)cc1 ZINC000257273453 244386381 /nfs/dbraw/zinc/38/63/81/244386381.db2.gz NGQAVIBZNPQAKF-INIZCTEOSA-N 1 2 345.468 2.897 40 0 EFABLO COc1ccc([C@@H]2CN(C(=O)c3sc(C)nc3C)CC[N@H+]2C)cc1 ZINC000257273453 244386384 /nfs/dbraw/zinc/38/63/84/244386384.db2.gz NGQAVIBZNPQAKF-INIZCTEOSA-N 1 2 345.468 2.897 40 0 EFABLO O=S(=O)(c1cccc(Cl)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074828483 203295470 /nfs/dbraw/zinc/29/54/70/203295470.db2.gz ZXQPKZULYZWBML-UHFFFAOYSA-N 1 2 325.821 2.631 40 0 EFABLO O=C(c1ccsc1)N1CCO[C@@H]2CN(c3cccc[nH+]3)CC[C@@H]2C1 ZINC000096082409 203828631 /nfs/dbraw/zinc/82/86/31/203828631.db2.gz FOZCPBGNQNCFEB-GDBMZVCRSA-N 1 2 343.452 2.511 40 0 EFABLO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccccc3O)cc2)CC1 ZINC000041667168 204053838 /nfs/dbraw/zinc/05/38/38/204053838.db2.gz RKLHXINZCHSSKH-UHFFFAOYSA-N 1 2 339.439 2.782 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@H+](Cc3ccccn3)[C@@H]2C1 ZINC000107249420 204230455 /nfs/dbraw/zinc/23/04/55/204230455.db2.gz YUGDBCSRWJRFFE-MAUKXSAKSA-N 1 2 341.842 2.620 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccn3)[C@@H]2C1 ZINC000107249420 204230459 /nfs/dbraw/zinc/23/04/59/204230459.db2.gz YUGDBCSRWJRFFE-MAUKXSAKSA-N 1 2 341.842 2.620 40 0 EFABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000044448656 204300157 /nfs/dbraw/zinc/30/01/57/204300157.db2.gz LNCGZSSYSARRPZ-UHFFFAOYSA-N 1 2 333.819 2.903 40 0 EFABLO O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc(-n2cc[nH+]c2)nc1 ZINC000048324435 204344890 /nfs/dbraw/zinc/34/48/90/204344890.db2.gz PLQNNBXAZGGVMI-UHFFFAOYSA-N 1 2 344.277 2.841 40 0 EFABLO COC(=O)[C@H](c1cccnc1)[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000096483195 284307167 /nfs/dbraw/zinc/30/71/67/284307167.db2.gz OIDZNVJPXQVVHL-SFHVURJKSA-N 1 2 326.396 2.881 40 0 EFABLO O=C(CCOc1ccccc1F)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130243798 205229533 /nfs/dbraw/zinc/22/95/33/205229533.db2.gz WTRDUZSBHBSSBY-OAHLLOKOSA-N 1 2 343.402 2.775 40 0 EFABLO COc1ccc(F)cc1C(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130349390 205236101 /nfs/dbraw/zinc/23/61/01/205236101.db2.gz ONXNXFRDHXCIGS-CQSZACIVSA-N 1 2 329.375 2.628 40 0 EFABLO Cc1nc(C)c(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)o1 ZINC000081237726 217372869 /nfs/dbraw/zinc/37/28/69/217372869.db2.gz GQLKFCWEQQOFDH-AWEZNQCLSA-N 1 2 328.347 2.683 40 0 EFABLO Cc1cc(NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)no1 ZINC000008746611 205861784 /nfs/dbraw/zinc/86/17/84/205861784.db2.gz UZRUQRDXBDXFHB-AWEZNQCLSA-N 1 2 329.335 2.767 40 0 EFABLO O=[S@](Cc1ccon1)Cc1cn2cc(Br)ccc2[nH+]1 ZINC000095409391 218345106 /nfs/dbraw/zinc/34/51/06/218345106.db2.gz LBNOCXHGQXWHIW-IBGZPJMESA-N 1 2 340.202 2.534 40 0 EFABLO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000095429411 218372072 /nfs/dbraw/zinc/37/20/72/218372072.db2.gz GDRIPAHRHRTJEG-KRWDZBQOSA-N 1 2 339.439 2.502 40 0 EFABLO Cc1ccc(C(=O)N2CCN(c3[nH+]c4ccccc4n3C)CC2)cc1 ZINC000012475048 207150888 /nfs/dbraw/zinc/15/08/88/207150888.db2.gz AQJSBFUQMITTCS-UHFFFAOYSA-N 1 2 334.423 2.844 40 0 EFABLO Cn1cc(Br)cc1C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000096430793 218805058 /nfs/dbraw/zinc/80/50/58/218805058.db2.gz CZUNBJVFFJCQPT-NSHDSACASA-N 1 2 337.221 2.878 40 0 EFABLO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cc(F)c(O)c(F)c2)o1 ZINC000097236986 219002932 /nfs/dbraw/zinc/00/29/32/219002932.db2.gz FSCDNHVHIQLLHM-UHFFFAOYSA-N 1 2 338.354 2.776 40 0 EFABLO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](C)[C@H]3CCCO3)s2)cc1 ZINC000097374240 219017485 /nfs/dbraw/zinc/01/74/85/219017485.db2.gz TYMMSDQULXDLJQ-GXTWGEPZSA-N 1 2 346.456 2.756 40 0 EFABLO Cc1noc(C)c1N(C)C(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000095414402 257834729 /nfs/dbraw/zinc/83/47/29/257834729.db2.gz GJISOTJVRBECLT-UHFFFAOYSA-N 1 2 339.399 2.882 40 0 EFABLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1ccc(Br)o1 ZINC000191393592 533657025 /nfs/dbraw/zinc/65/70/25/533657025.db2.gz FDMAEVQQYUTGFD-SECBINFHSA-N 1 2 334.235 2.523 40 0 EFABLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(Br)o1 ZINC000191393592 533657026 /nfs/dbraw/zinc/65/70/26/533657026.db2.gz FDMAEVQQYUTGFD-SECBINFHSA-N 1 2 334.235 2.523 40 0 EFABLO CC(C)[C@@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000035289879 132389669 /nfs/dbraw/zinc/38/96/69/132389669.db2.gz SQOCELGGKCVGJB-KRWDZBQOSA-N 1 2 328.464 2.773 40 0 EFABLO COCCN1c2ccccc2[C@]2([NH2+]CCc3c4ccccc4[nH]c32)C1=O ZINC000013635183 292546280 /nfs/dbraw/zinc/54/62/80/292546280.db2.gz WDTZUDUHHBYCFM-OAQYLSRUSA-N 1 2 347.418 2.550 40 0 EFABLO C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](c2ccccc2)CO1 ZINC000253418100 296898826 /nfs/dbraw/zinc/89/88/26/296898826.db2.gz DISHLCNIRVZMHK-KMFMINBZSA-N 1 2 325.412 2.818 40 0 EFABLO C[N@H+](CC(=O)NC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000008346113 544422945 /nfs/dbraw/zinc/42/29/45/544422945.db2.gz NJYAREZBVBBFRP-UHFFFAOYSA-N 1 2 333.338 2.745 40 0 EFABLO C[N@@H+](CC(=O)NC(=O)Nc1ccccc1F)Cc1ccccc1F ZINC000008346113 544422948 /nfs/dbraw/zinc/42/29/48/544422948.db2.gz NJYAREZBVBBFRP-UHFFFAOYSA-N 1 2 333.338 2.745 40 0 EFABLO C[C@@H](CNC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1)Cn1cc[nH+]c1 ZINC000096487067 544559543 /nfs/dbraw/zinc/55/95/43/544559543.db2.gz UYNGTZHEFXGBLR-IINYFYTJSA-N 1 2 342.226 2.676 40 0 EFABLO C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1)c1cccs1 ZINC000286851167 274286603 /nfs/dbraw/zinc/28/66/03/274286603.db2.gz NASHAAWSWYAINM-WFASDCNBSA-N 1 2 333.457 2.869 40 0 EFABLO CCOC[C@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000253384226 276334517 /nfs/dbraw/zinc/33/45/17/276334517.db2.gz OEBCEXCENCIRMO-MRXNPFEDSA-N 1 2 336.395 2.665 40 0 EFABLO CC(C)(C)NC(=O)CN1c2cc(Cl)ccc2C2=[NH+]CCCN2C1=O ZINC000072335737 277166943 /nfs/dbraw/zinc/16/69/43/277166943.db2.gz MCCZRZKRGWKDNK-UHFFFAOYSA-N 1 2 348.834 2.647 40 0 EFABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2cccc(C)n2)c1 ZINC000257224587 278020839 /nfs/dbraw/zinc/02/08/39/278020839.db2.gz FCKUXTQGIBSTEX-SFHVURJKSA-N 1 2 348.406 2.992 40 0 EFABLO CC(C)n1cc[nH+]c1CN1CCOC[C@@H]1CC(=O)c1cccs1 ZINC000119603585 278135756 /nfs/dbraw/zinc/13/57/56/278135756.db2.gz SKVKEGDDECLNGU-AWEZNQCLSA-N 1 2 333.457 2.999 40 0 EFABLO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cc3ccccc3nc1N(C)C)C2 ZINC000019576583 279103753 /nfs/dbraw/zinc/10/37/53/279103753.db2.gz QGOQITTWHVALOB-UHFFFAOYSA-N 1 2 349.438 2.663 40 0 EFABLO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cc3ccccc3nc1N(C)C)C2 ZINC000019576583 279103755 /nfs/dbraw/zinc/10/37/55/279103755.db2.gz QGOQITTWHVALOB-UHFFFAOYSA-N 1 2 349.438 2.663 40 0 EFABLO COc1ccc([C@H]2Cn3ccnc3C[N@@H+]2CC2CCOCC2)cc1 ZINC000257315619 295250633 /nfs/dbraw/zinc/25/06/33/295250633.db2.gz VCDVEIDOLLOWOP-GOSISDBHSA-N 1 2 327.428 2.875 40 0 EFABLO COc1ccc([C@H]2Cn3ccnc3C[N@H+]2CC2CCOCC2)cc1 ZINC000257315619 295250635 /nfs/dbraw/zinc/25/06/35/295250635.db2.gz VCDVEIDOLLOWOP-GOSISDBHSA-N 1 2 327.428 2.875 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3c(c2)CCCC3)[nH+]1 ZINC000257227916 301025179 /nfs/dbraw/zinc/02/51/79/301025179.db2.gz FROAOHQAHABYBS-QGZVFWFLSA-N 1 2 325.412 2.811 40 0 EFABLO Cc1noc(CNC(=O)Nc2c[nH+]c(N3CCCC[C@H]3C)c(C)c2)n1 ZINC000331425895 311376286 /nfs/dbraw/zinc/37/62/86/311376286.db2.gz IPLDOXSZYYTGJN-GFCCVEGCSA-N 1 2 344.419 2.782 40 0 EFABLO CC(C)(C)OC(=O)N1CC(N[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000127562832 323217553 /nfs/dbraw/zinc/21/75/53/323217553.db2.gz VSZZQGLLQZIRAO-HNNXBMFYSA-N 1 2 328.416 2.708 40 0 EFABLO CC(C)(C)OC(=O)N1CC([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000127562832 323217557 /nfs/dbraw/zinc/21/75/57/323217557.db2.gz VSZZQGLLQZIRAO-HNNXBMFYSA-N 1 2 328.416 2.708 40 0 EFABLO O=S(=O)(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1ccc2c(c1)OCO2 ZINC000170033856 323223071 /nfs/dbraw/zinc/22/30/71/323223071.db2.gz QNOSOPXTKXDZDD-UHFFFAOYSA-N 1 2 343.364 2.606 40 0 EFABLO CC1(C)CN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC(C)(C)O1 ZINC000187860133 323426892 /nfs/dbraw/zinc/42/68/92/323426892.db2.gz HNMGOVMSWZANSB-UHFFFAOYSA-N 1 2 346.475 2.649 40 0 EFABLO COCCN(Cc1ccnn1C)c1cc[nH+]c2c(OC)cccc12 ZINC000390835157 323781222 /nfs/dbraw/zinc/78/12/22/323781222.db2.gz FLLLXCKCUPOKON-UHFFFAOYSA-N 1 2 326.400 2.630 40 0 EFABLO COc1cccc([C@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)c1 ZINC000095533550 473221805 /nfs/dbraw/zinc/22/18/05/473221805.db2.gz GKRSSZLYTAVIRC-INIZCTEOSA-N 1 2 328.347 2.580 40 0 EFABLO COc1ccc([C@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)cc1OC ZINC000095533888 473221927 /nfs/dbraw/zinc/22/19/27/473221927.db2.gz BGOBPICQZNALTJ-HNNXBMFYSA-N 1 2 328.347 2.676 40 0 EFABLO COc1ccc([C@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1OC ZINC000095533888 473221931 /nfs/dbraw/zinc/22/19/31/473221931.db2.gz BGOBPICQZNALTJ-HNNXBMFYSA-N 1 2 328.347 2.676 40 0 EFABLO COc1cccc(NCCc2nc([C@@H]([NH3+])Cc3ccccc3)n[nH]2)c1 ZINC000095534871 473224023 /nfs/dbraw/zinc/22/40/23/473224023.db2.gz RZMMSCAPKCQUHT-KRWDZBQOSA-N 1 2 337.427 2.710 40 0 EFABLO Cc1ccccc1NC(=O)C[NH+]1CC(c2nc(-c3ccco3)no2)C1 ZINC000096024272 473257059 /nfs/dbraw/zinc/25/70/59/473257059.db2.gz DJFGOFPQXXGFJM-UHFFFAOYSA-N 1 2 338.367 2.676 40 0 EFABLO CCN1CCn2c(C)c[nH+]c2C12CCN(C(=O)c1cccs1)CC2 ZINC000096037065 473258865 /nfs/dbraw/zinc/25/88/65/473258865.db2.gz QKTPMRQCUBLCDD-UHFFFAOYSA-N 1 2 344.484 2.720 40 0 EFABLO CC[N@@H+]1CCn2c(C)cnc2C12CCN(C(=O)c1cccs1)CC2 ZINC000096037065 473258867 /nfs/dbraw/zinc/25/88/67/473258867.db2.gz QKTPMRQCUBLCDD-UHFFFAOYSA-N 1 2 344.484 2.720 40 0 EFABLO CC[N@H+]1CCn2c(C)cnc2C12CCN(C(=O)c1cccs1)CC2 ZINC000096037065 473258876 /nfs/dbraw/zinc/25/88/76/473258876.db2.gz QKTPMRQCUBLCDD-UHFFFAOYSA-N 1 2 344.484 2.720 40 0 EFABLO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)n1 ZINC000096040343 473261148 /nfs/dbraw/zinc/26/11/48/473261148.db2.gz DJSQOGBDTCYIJN-MAUKXSAKSA-N 1 2 345.468 2.988 40 0 EFABLO c1csc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)n1 ZINC000096040343 473261157 /nfs/dbraw/zinc/26/11/57/473261157.db2.gz DJSQOGBDTCYIJN-MAUKXSAKSA-N 1 2 345.468 2.988 40 0 EFABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3[C@@H](COCC3CC3)C2)c(C)o1 ZINC000096044927 473265169 /nfs/dbraw/zinc/26/51/69/473265169.db2.gz WEDNTHOXOCZYBG-OAHLLOKOSA-N 1 2 343.427 2.796 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)o1 ZINC000096049115 473270747 /nfs/dbraw/zinc/27/07/47/473270747.db2.gz BPSFJRFPRYMFHP-LJQANCHMSA-N 1 2 344.411 2.688 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)o1 ZINC000096049115 473270751 /nfs/dbraw/zinc/27/07/51/473270751.db2.gz BPSFJRFPRYMFHP-LJQANCHMSA-N 1 2 344.411 2.688 40 0 EFABLO COc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1 ZINC000096058045 473280966 /nfs/dbraw/zinc/28/09/66/473280966.db2.gz UCWGIDQPTRXLRY-NLWGTHIKSA-N 1 2 340.423 2.901 40 0 EFABLO COc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ccccn4)CC[C@@H]32)cc1 ZINC000096058045 473280972 /nfs/dbraw/zinc/28/09/72/473280972.db2.gz UCWGIDQPTRXLRY-NLWGTHIKSA-N 1 2 340.423 2.901 40 0 EFABLO COC[C@H]1CN(C(=O)c2ccc(C)o2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060287 473283157 /nfs/dbraw/zinc/28/31/57/473283157.db2.gz FGMLZWKNTHNOAH-CQSZACIVSA-N 1 2 329.400 2.581 40 0 EFABLO O=C(c1ccsc1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062485 473284877 /nfs/dbraw/zinc/28/48/77/473284877.db2.gz TXTBTDCPZAGBBH-SFHVURJKSA-N 1 2 343.452 2.512 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)o1 ZINC000096065726 473286715 /nfs/dbraw/zinc/28/67/15/473286715.db2.gz YCXHBKLHFFHQIV-FHWLQOOXSA-N 1 2 328.412 2.932 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)o1 ZINC000096065726 473286720 /nfs/dbraw/zinc/28/67/20/473286720.db2.gz YCXHBKLHFFHQIV-FHWLQOOXSA-N 1 2 328.412 2.932 40 0 EFABLO C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCc1[nH]cc[nH+]1 ZINC000096476789 473439670 /nfs/dbraw/zinc/43/96/70/473439670.db2.gz VPTPESNUYYEJMG-VIFPVBQESA-N 1 2 340.196 2.806 40 0 EFABLO COC[C@H]1C[N@H+](Cc2sccc2C)Cc2nnn(CC3CC3)c21 ZINC000096068858 473288673 /nfs/dbraw/zinc/28/86/73/473288673.db2.gz ZKWKAJQZBKGHRH-CQSZACIVSA-N 1 2 332.473 2.804 40 0 EFABLO COC[C@H]1C[N@@H+](Cc2sccc2C)Cc2nnn(CC3CC3)c21 ZINC000096068858 473288682 /nfs/dbraw/zinc/28/86/82/473288682.db2.gz ZKWKAJQZBKGHRH-CQSZACIVSA-N 1 2 332.473 2.804 40 0 EFABLO Cn1c[nH+]c2c1[C@H](COCC1CCOCC1)CN(Cc1ccoc1)C2 ZINC000096068655 473288971 /nfs/dbraw/zinc/28/89/71/473288971.db2.gz BJLVXUXWBYILFL-KRWDZBQOSA-N 1 2 345.443 2.556 40 0 EFABLO Cc1nc(C[N@@H+]2CCC23CCN(C(=O)c2ccco2)CC3)cs1 ZINC000096077992 473292085 /nfs/dbraw/zinc/29/20/85/473292085.db2.gz YMUQBDRZIKHYNV-UHFFFAOYSA-N 1 2 331.441 2.925 40 0 EFABLO Cc1nc(C[N@H+]2CCC23CCN(C(=O)c2ccco2)CC3)cs1 ZINC000096077992 473292092 /nfs/dbraw/zinc/29/20/92/473292092.db2.gz YMUQBDRZIKHYNV-UHFFFAOYSA-N 1 2 331.441 2.925 40 0 EFABLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccoc1)c1ccccc1 ZINC000096082651 473292313 /nfs/dbraw/zinc/29/23/13/473292313.db2.gz RVPKKXGQVHVCGK-GBESFXJTSA-N 1 2 340.423 2.689 40 0 EFABLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccoc1)c1ccccc1 ZINC000096082651 473292320 /nfs/dbraw/zinc/29/23/20/473292320.db2.gz RVPKKXGQVHVCGK-GBESFXJTSA-N 1 2 340.423 2.689 40 0 EFABLO CN(C)c1nc(N(C)C)c(NC(=O)c2ccc(F)cc2Cl)c[nH+]1 ZINC000096098762 473295018 /nfs/dbraw/zinc/29/50/18/473295018.db2.gz ORWXOEKPHFBDKN-UHFFFAOYSA-N 1 2 337.786 2.653 40 0 EFABLO Cc1cc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)no1 ZINC000096107283 473299639 /nfs/dbraw/zinc/29/96/39/473299639.db2.gz AJVMKCYRVGDNSN-MOPGFXCFSA-N 1 2 343.427 2.718 40 0 EFABLO Cc1cc(C[N@H+]2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)no1 ZINC000096107283 473299645 /nfs/dbraw/zinc/29/96/45/473299645.db2.gz AJVMKCYRVGDNSN-MOPGFXCFSA-N 1 2 343.427 2.718 40 0 EFABLO Cn1cc(-c2cc(C[N@@H+]3CCO[C@H](c4cccs4)C3)on2)cn1 ZINC000185024908 473304370 /nfs/dbraw/zinc/30/43/70/473304370.db2.gz WLCCBKDJMHQGQU-HNNXBMFYSA-N 1 2 330.413 2.710 40 0 EFABLO Cn1cc(-c2cc(C[N@H+]3CCO[C@H](c4cccs4)C3)on2)cn1 ZINC000185024908 473304377 /nfs/dbraw/zinc/30/43/77/473304377.db2.gz WLCCBKDJMHQGQU-HNNXBMFYSA-N 1 2 330.413 2.710 40 0 EFABLO Fc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3F)nc2c1 ZINC000096112225 473305624 /nfs/dbraw/zinc/30/56/24/473305624.db2.gz HGWMMCOKQLXAIG-PBHICJAKSA-N 1 2 344.365 2.836 40 0 biogenic,in-vitro EFABLO Fc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3F)nc2c1 ZINC000096112225 473305634 /nfs/dbraw/zinc/30/56/34/473305634.db2.gz HGWMMCOKQLXAIG-PBHICJAKSA-N 1 2 344.365 2.836 40 0 biogenic,in-vitro EFABLO CC(C)c1cc(C(=O)N2CC[NH+](Cc3ccc(F)cc3)CC2)no1 ZINC000096181197 473322598 /nfs/dbraw/zinc/32/25/98/473322598.db2.gz COIUXTYURKQTQQ-UHFFFAOYSA-N 1 2 331.391 2.895 40 0 EFABLO O=C(c1ccsc1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187897 473329726 /nfs/dbraw/zinc/32/97/26/473329726.db2.gz RLDSATZULSGDLM-CQSZACIVSA-N 1 2 331.441 2.643 40 0 EFABLO CCOC[C@@H]1c2c(cnn2CC)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197817 473333735 /nfs/dbraw/zinc/33/37/35/473333735.db2.gz HWXNDRUCQFAWLL-MRXNPFEDSA-N 1 2 343.427 2.768 40 0 EFABLO CCOC[C@@H]1c2c(cnn2CC)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197817 473333745 /nfs/dbraw/zinc/33/37/45/473333745.db2.gz HWXNDRUCQFAWLL-MRXNPFEDSA-N 1 2 343.427 2.768 40 0 EFABLO Cc1nc(CN2CCN(C(=O)NC3CC3)Cc3ccc[nH+]c32)cs1 ZINC000096198965 473335369 /nfs/dbraw/zinc/33/53/69/473335369.db2.gz NEHHWOSWDUSDEB-UHFFFAOYSA-N 1 2 343.456 2.541 40 0 EFABLO O=C(c1ccccc1)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096206776 473341390 /nfs/dbraw/zinc/34/13/90/473341390.db2.gz YINYSLNCGQYSDO-YLJYHZDGSA-N 1 2 337.423 2.957 40 0 EFABLO Cc1cccc(C[N@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)n1 ZINC000096209174 473344622 /nfs/dbraw/zinc/34/46/22/473344622.db2.gz RGDHQBBPAYEBRN-QGZVFWFLSA-N 1 2 349.438 2.693 40 0 EFABLO Cc1cccc(C[N@@H+]2Cc3cncn3C[C@H](COc3cccnc3)C2)n1 ZINC000096209174 473344627 /nfs/dbraw/zinc/34/46/27/473344627.db2.gz RGDHQBBPAYEBRN-QGZVFWFLSA-N 1 2 349.438 2.693 40 0 EFABLO CCc1cnc(N2CCC3(C[C@@H](Nc4cccc[nH+]4)CO3)CC2)nc1 ZINC000096221303 473353495 /nfs/dbraw/zinc/35/34/95/473353495.db2.gz XEPWQZUYZFUYSK-MRXNPFEDSA-N 1 2 339.443 2.674 40 0 EFABLO Cc1cccc(N2CCC[C@@]3(CN(Cc4c[nH+]cn4C)CCO3)C2)c1 ZINC000096226255 473357353 /nfs/dbraw/zinc/35/73/53/473357353.db2.gz QKVJCJJUSBJQKP-HXUWFJFHSA-N 1 2 340.471 2.600 40 0 EFABLO Cc1nc(CN2CCC[C@]3(C2)C[N@H+](Cc2ccco2)CCO3)cs1 ZINC000096226693 473357688 /nfs/dbraw/zinc/35/76/88/473357688.db2.gz WIILMILTGZBZSF-SFHVURJKSA-N 1 2 347.484 2.912 40 0 EFABLO Cc1nc(CN2CCC[C@]3(C2)C[N@@H+](Cc2ccco2)CCO3)cs1 ZINC000096226693 473357697 /nfs/dbraw/zinc/35/76/97/473357697.db2.gz WIILMILTGZBZSF-SFHVURJKSA-N 1 2 347.484 2.912 40 0 EFABLO Cc1nc(C[N@@H+]2CCC[C@@]3(CN(Cc4ccco4)CCO3)C2)cs1 ZINC000096226693 473357702 /nfs/dbraw/zinc/35/77/02/473357702.db2.gz WIILMILTGZBZSF-SFHVURJKSA-N 1 2 347.484 2.912 40 0 EFABLO Cc1nc(C[N@H+]2CCC[C@@]3(CN(Cc4ccco4)CCO3)C2)cs1 ZINC000096226693 473357708 /nfs/dbraw/zinc/35/77/08/473357708.db2.gz WIILMILTGZBZSF-SFHVURJKSA-N 1 2 347.484 2.912 40 0 EFABLO CCn1nc(C)cc1C(=O)Nc1cccc(OCCn2cc[nH+]c2)c1 ZINC000096402744 473379326 /nfs/dbraw/zinc/37/93/26/473379326.db2.gz WEVMLHVTWFKNRH-UHFFFAOYSA-N 1 2 339.399 2.739 40 0 EFABLO C[N@H+](CC(=O)Nc1ccncc1)Cc1cc(Br)cs1 ZINC000096403657 473379942 /nfs/dbraw/zinc/37/99/42/473379942.db2.gz NSCOQKZZYLXRMJ-UHFFFAOYSA-N 1 2 340.246 2.976 40 0 EFABLO C[N@@H+](CC(=O)Nc1ccncc1)Cc1cc(Br)cs1 ZINC000096403657 473379948 /nfs/dbraw/zinc/37/99/48/473379948.db2.gz NSCOQKZZYLXRMJ-UHFFFAOYSA-N 1 2 340.246 2.976 40 0 EFABLO Cc1[nH]ncc1C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000096403978 473380317 /nfs/dbraw/zinc/38/03/17/473380317.db2.gz QUGMFNYKKLINNF-CQSZACIVSA-N 1 2 335.249 2.849 40 0 EFABLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)NC[C@H]1C[C@H]1c1ccccc1 ZINC000096405554 473383108 /nfs/dbraw/zinc/38/31/08/473383108.db2.gz BAKFDIYQFKMUSF-MSOLQXFVSA-N 1 2 347.422 2.870 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+]2CCSC[C@H]2c2ccc(C)cc2)n(C)n1 ZINC000096407681 473385350 /nfs/dbraw/zinc/38/53/50/473385350.db2.gz KNXCNICXINQBPI-INIZCTEOSA-N 1 2 344.484 2.766 40 0 EFABLO Cc1cc(NC(=O)C[N@H+]2CCSC[C@H]2c2ccc(C)cc2)n(C)n1 ZINC000096407681 473385354 /nfs/dbraw/zinc/38/53/54/473385354.db2.gz KNXCNICXINQBPI-INIZCTEOSA-N 1 2 344.484 2.766 40 0 EFABLO O[C@H](CNc1nc(-n2cccn2)cc[nH+]1)c1ccccc1C(F)(F)F ZINC000096412861 473391795 /nfs/dbraw/zinc/39/17/95/473391795.db2.gz HZKAJDHUCGPQER-CYBMUJFWSA-N 1 2 349.316 2.827 40 0 EFABLO COCCc1noc(C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)n1 ZINC000096411369 473390428 /nfs/dbraw/zinc/39/04/28/473390428.db2.gz DRIHTYLUPXPMRH-DYVFJYSZSA-N 1 2 333.457 2.937 40 0 EFABLO COCCc1noc(C[N@H+]2CCS[C@H](C)[C@H]2c2ccccc2)n1 ZINC000096411369 473390431 /nfs/dbraw/zinc/39/04/31/473390431.db2.gz DRIHTYLUPXPMRH-DYVFJYSZSA-N 1 2 333.457 2.937 40 0 EFABLO CCc1nc(C)ncc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000096411196 473391051 /nfs/dbraw/zinc/39/10/51/473391051.db2.gz PRZMGDYXMXRGKH-UHFFFAOYSA-N 1 2 339.443 2.663 40 0 EFABLO COc1cc(OC)cc(OC[C@H](O)Cn2c(C)[nH+]c3ccccc32)c1 ZINC000000810189 471376166 /nfs/dbraw/zinc/37/61/66/471376166.db2.gz LSHIXIYCFYAHPH-CQSZACIVSA-N 1 2 342.395 2.802 40 0 EFABLO Fc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)[NH+]2CCCCC2)cc1 ZINC000004190656 471460786 /nfs/dbraw/zinc/46/07/86/471460786.db2.gz NOBMMMGQBYPYPB-IAGOWNOFSA-N 1 2 345.422 2.567 40 0 EFABLO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)NCc1cccs1 ZINC000004966773 471482047 /nfs/dbraw/zinc/48/20/47/471482047.db2.gz XAINBPSDXYHNFK-UHFFFAOYSA-N 1 2 342.464 2.959 40 0 EFABLO CC[N@H+](CC(=O)NC(C)C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000006507222 471548315 /nfs/dbraw/zinc/54/83/15/471548315.db2.gz OOPHEYJCFHHHOJ-ZDUSSCGKSA-N 1 2 337.489 2.582 40 0 EFABLO CC[N@@H+](CC(=O)NC(C)C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000006507222 471548320 /nfs/dbraw/zinc/54/83/20/471548320.db2.gz OOPHEYJCFHHHOJ-ZDUSSCGKSA-N 1 2 337.489 2.582 40 0 EFABLO COc1ccc(Cl)cc1NC(=O)CSc1nc(N)cc(C)[nH+]1 ZINC000007048132 471586115 /nfs/dbraw/zinc/58/61/15/471586115.db2.gz KFZPZGGKUMBVJQ-UHFFFAOYSA-N 1 2 338.820 2.760 40 0 EFABLO COc1ccc(NC(=O)C[N@H+](C)Cc2cc(F)ccc2OC)cc1 ZINC000008093109 471661953 /nfs/dbraw/zinc/66/19/53/471661953.db2.gz UPDUVMHGJVZMSA-UHFFFAOYSA-N 1 2 332.375 2.913 40 0 EFABLO COc1ccc(NC(=O)C[N@@H+](C)Cc2cc(F)ccc2OC)cc1 ZINC000008093109 471661959 /nfs/dbraw/zinc/66/19/59/471661959.db2.gz UPDUVMHGJVZMSA-UHFFFAOYSA-N 1 2 332.375 2.913 40 0 EFABLO Cc1ccc(NC(=O)C[N@@H+](C)[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000009669545 471720098 /nfs/dbraw/zinc/72/00/98/471720098.db2.gz ZLWYFMVBXFRLHG-IXDOHACOSA-N 1 2 345.487 2.758 40 0 EFABLO Cc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000009669545 471720106 /nfs/dbraw/zinc/72/01/06/471720106.db2.gz ZLWYFMVBXFRLHG-IXDOHACOSA-N 1 2 345.487 2.758 40 0 EFABLO COc1ccc(CN(Cc2c[nH+]cn2C)C[C@H]2CCCO2)c(OC)c1 ZINC000012116787 471764623 /nfs/dbraw/zinc/76/46/23/471764623.db2.gz JHRONVIKUXJCGD-GOSISDBHSA-N 1 2 345.443 2.619 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC2CCCC2)C1 ZINC000012116417 471764883 /nfs/dbraw/zinc/76/48/83/471764883.db2.gz ZCQDGUXPUSJGTR-AWEZNQCLSA-N 1 2 326.444 2.849 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)c1cccnc1)c1ccc(F)c(F)c1 ZINC000012114990 471765346 /nfs/dbraw/zinc/76/53/46/471765346.db2.gz SAVOVRVIRGYNKB-OAHLLOKOSA-N 1 2 328.322 2.613 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000012221694 471769231 /nfs/dbraw/zinc/76/92/31/471769231.db2.gz PMPKTFGKKSFVBN-UHFFFAOYSA-N 1 2 349.438 2.501 40 0 EFABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012666125 471788955 /nfs/dbraw/zinc/78/89/55/471788955.db2.gz JPOIHNBFIYOEPX-UHFFFAOYSA-N 1 2 336.370 2.529 40 0 EFABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012666125 471788962 /nfs/dbraw/zinc/78/89/62/471788962.db2.gz JPOIHNBFIYOEPX-UHFFFAOYSA-N 1 2 336.370 2.529 40 0 EFABLO O=c1cc(CO)oc([C@@H](Nc2cccc[nH+]2)c2ccc(F)cc2)c1O ZINC000013140529 471817813 /nfs/dbraw/zinc/81/78/13/471817813.db2.gz JCPHBSBXPBYVQO-INIZCTEOSA-N 1 2 342.326 2.573 40 0 EFABLO C[N@@H+]1CCc2nc(NC(=O)COc3ccc(Cl)cc3)sc2C1 ZINC000014108574 471853775 /nfs/dbraw/zinc/85/37/75/471853775.db2.gz WKCGCTRRVJCGAZ-UHFFFAOYSA-N 1 2 337.832 2.802 40 0 EFABLO C[N@H+]1CCc2nc(NC(=O)COc3ccc(Cl)cc3)sc2C1 ZINC000014108574 471853780 /nfs/dbraw/zinc/85/37/80/471853780.db2.gz WKCGCTRRVJCGAZ-UHFFFAOYSA-N 1 2 337.832 2.802 40 0 EFABLO COc1ccc([C@@H]2CCC[N@@H+]2CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 ZINC000014129635 471854625 /nfs/dbraw/zinc/85/46/25/471854625.db2.gz DXCRHUCLSKDCDM-IRXDYDNUSA-N 1 2 345.443 2.756 40 0 EFABLO COc1ccc([C@@H]2CCC[N@H+]2CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 ZINC000014129635 471854629 /nfs/dbraw/zinc/85/46/29/471854629.db2.gz DXCRHUCLSKDCDM-IRXDYDNUSA-N 1 2 345.443 2.756 40 0 EFABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3cccnc3)n2)c1 ZINC000015674388 471914094 /nfs/dbraw/zinc/91/40/94/471914094.db2.gz ORKMRLUIMPMONB-SJORKVTESA-N 1 2 336.395 2.748 40 0 biogenic,in-vitro EFABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3cccnc3)n2)c1 ZINC000015674388 471914100 /nfs/dbraw/zinc/91/41/00/471914100.db2.gz ORKMRLUIMPMONB-SJORKVTESA-N 1 2 336.395 2.748 40 0 biogenic,in-vitro EFABLO CN(C)c1[nH+]cccc1CNC(=S)NCCSc1ccccc1 ZINC000036845759 472006871 /nfs/dbraw/zinc/00/68/71/472006871.db2.gz RHKGQBSXDPZXGR-UHFFFAOYSA-N 1 2 346.525 2.904 40 0 EFABLO CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000067564587 472050363 /nfs/dbraw/zinc/05/03/63/472050363.db2.gz BZUHUHJYFZVYBG-JKSUJKDBSA-N 1 2 328.391 2.642 40 0 EFABLO CC(=O)N1CC[NH+](Cc2cc(=O)oc3cc(C)c(C(C)C)cc23)CC1 ZINC000025499669 472099158 /nfs/dbraw/zinc/09/91/58/472099158.db2.gz FTHJTZRXAPNVNJ-UHFFFAOYSA-N 1 2 342.439 2.889 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccccc1F ZINC000025585641 472103592 /nfs/dbraw/zinc/10/35/92/472103592.db2.gz YUXSAOZFEZKCEO-INIZCTEOSA-N 1 2 340.358 2.944 40 0 EFABLO CC(C)(C)OC(=O)N1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000043220478 472210964 /nfs/dbraw/zinc/21/09/64/472210964.db2.gz QZYHPQDBNFNDGU-OAHLLOKOSA-N 1 2 340.851 2.926 40 0 EFABLO Cc1cc(N2CCN(C(=O)Cc3cccc4ccccc43)CC2)nc[nH+]1 ZINC000085470856 472252384 /nfs/dbraw/zinc/25/23/84/472252384.db2.gz FPMPREPDBBMUAB-UHFFFAOYSA-N 1 2 346.434 2.830 40 0 EFABLO Cc1sc(C(=O)N2CC[NH+](CCO)CC2)cc1-c1ccc(F)cc1 ZINC000087083773 472305048 /nfs/dbraw/zinc/30/50/48/472305048.db2.gz UPQIFWWMNLABQQ-UHFFFAOYSA-N 1 2 348.443 2.613 40 0 EFABLO O=C(NCc1ccc(F)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044879989 472346820 /nfs/dbraw/zinc/34/68/20/472346820.db2.gz PAJLRGSKBDEBQH-UHFFFAOYSA-N 1 2 328.387 2.588 40 0 EFABLO O=C(NCCCOc1ccccc1F)c1ccc(-n2cc[nH+]c2)nc1 ZINC000044896775 472349198 /nfs/dbraw/zinc/34/91/98/472349198.db2.gz HGTUYGWLALPBLT-UHFFFAOYSA-N 1 2 340.358 2.605 40 0 EFABLO O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000088390750 472361214 /nfs/dbraw/zinc/36/12/14/472361214.db2.gz QGNPYAYCHNPFOW-HUUCEWRRSA-N 1 2 344.419 2.544 40 0 EFABLO Cc1c(NC(=O)NCCn2cc[nH+]c2)cccc1OCC(F)(F)F ZINC000069688363 472396854 /nfs/dbraw/zinc/39/68/54/472396854.db2.gz HAYQWLNFQMTGBK-UHFFFAOYSA-N 1 2 342.321 2.954 40 0 EFABLO Cc1cccn2cc(CCNC(=O)C[C@H](O)c3cccc(F)c3)[nH+]c12 ZINC000089302061 472409616 /nfs/dbraw/zinc/40/96/16/472409616.db2.gz DYLDLZFOPFFPDP-KRWDZBQOSA-N 1 2 341.386 2.564 40 0 EFABLO Cc1cccc(Cl)c1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000097095195 472443205 /nfs/dbraw/zinc/44/32/05/472443205.db2.gz AJXFLWGRVVYTCA-STQMWFEESA-N 1 2 325.840 2.879 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000032624725 472448135 /nfs/dbraw/zinc/44/81/35/472448135.db2.gz UTRFMIRZZRAXTF-UHFFFAOYSA-N 1 2 329.831 2.622 40 0 EFABLO Cc1ccc(CNC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000057581612 472452210 /nfs/dbraw/zinc/45/22/10/472452210.db2.gz AQUAZICCMOYEHF-UHFFFAOYSA-N 1 2 341.430 2.573 40 0 EFABLO Cc1cc(N)nc(S[C@@H]2CCCN(Cc3ccccc3)C2=O)[nH+]1 ZINC000089634659 472473571 /nfs/dbraw/zinc/47/35/71/472473571.db2.gz IZWCWLOIAXOZSM-CQSZACIVSA-N 1 2 328.441 2.651 40 0 EFABLO Fc1ccccc1N1CC[NH+](Cc2ccnc(-c3ccncc3)n2)CC1 ZINC000057823335 472479861 /nfs/dbraw/zinc/47/98/61/472479861.db2.gz YJIHWBZOPLWWMZ-UHFFFAOYSA-N 1 2 349.413 3.000 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)n1 ZINC000097953773 472512885 /nfs/dbraw/zinc/51/28/85/472512885.db2.gz RFOBPPLRWSKKJK-OKZBNKHCSA-N 1 2 343.402 2.735 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)n1 ZINC000097953773 472512890 /nfs/dbraw/zinc/51/28/90/472512890.db2.gz RFOBPPLRWSKKJK-OKZBNKHCSA-N 1 2 343.402 2.735 40 0 EFABLO CO[C@H]1CC[C@H](C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000100162536 472525871 /nfs/dbraw/zinc/52/58/71/472525871.db2.gz BYQPLILRESPGQL-BBWFWOEESA-N 1 2 327.428 2.831 40 0 EFABLO O=c1cc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)nc2cc[nH]n21 ZINC000102706308 472589508 /nfs/dbraw/zinc/58/95/08/472589508.db2.gz SKLIPEHMWKJQBZ-CQSZACIVSA-N 1 2 340.452 2.637 40 0 EFABLO O=c1cc(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)nc2cc[nH]n21 ZINC000102706308 472589514 /nfs/dbraw/zinc/58/95/14/472589514.db2.gz SKLIPEHMWKJQBZ-CQSZACIVSA-N 1 2 340.452 2.637 40 0 EFABLO CNc1[nH+]cccc1[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072212545 472633771 /nfs/dbraw/zinc/63/37/71/472633771.db2.gz SVQJQWNZRICMLW-MRXNPFEDSA-N 1 2 331.441 2.958 40 0 EFABLO CC[C@@H](O)c1c[nH+]c(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000072222614 472634868 /nfs/dbraw/zinc/63/48/68/472634868.db2.gz MUNYDGCXOJOSAC-OAHLLOKOSA-N 1 2 335.448 2.891 40 0 EFABLO CC[C@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1C ZINC000072224700 472635235 /nfs/dbraw/zinc/63/52/35/472635235.db2.gz BYHYIXFZVWIKJG-HNNXBMFYSA-N 1 2 335.448 2.891 40 0 EFABLO CC(C)C[N@@H+]1CCC[C@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000072383502 472662928 /nfs/dbraw/zinc/66/29/28/472662928.db2.gz SALPXIAFFBDMGU-CYBMUJFWSA-N 1 2 332.477 2.982 40 0 EFABLO CC(C)C[N@H+]1CCC[C@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000072383502 472662947 /nfs/dbraw/zinc/66/29/47/472662947.db2.gz SALPXIAFFBDMGU-CYBMUJFWSA-N 1 2 332.477 2.982 40 0 EFABLO Cc1nc(C2([NH2+][C@H]3CCCN(C(=O)OC(C)(C)C)C3)CCC2)no1 ZINC000156864347 472761950 /nfs/dbraw/zinc/76/19/50/472761950.db2.gz QIIPPUIQLWVIBO-ZDUSSCGKSA-N 1 2 336.436 2.746 40 0 EFABLO C[C@@H](C(=O)Nc1ccc(Cc2nnc3ccccn32)cc1)n1cc[nH+]c1 ZINC000078918188 472789133 /nfs/dbraw/zinc/78/91/33/472789133.db2.gz UZFZIVDDQONQGJ-AWEZNQCLSA-N 1 2 346.394 2.716 40 0 EFABLO COc1cccc(OC)c1OC[C@@H](O)Cn1c(C)[nH+]c2ccccc21 ZINC000063651044 472797405 /nfs/dbraw/zinc/79/74/05/472797405.db2.gz VMNVXRLPZJDVTE-AWEZNQCLSA-N 1 2 342.395 2.802 40 0 EFABLO CN(Cc1cscn1)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000079320681 472848034 /nfs/dbraw/zinc/84/80/34/472848034.db2.gz NVEWHEKRSKMENL-INIZCTEOSA-N 1 2 347.509 2.892 40 0 EFABLO C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1nccs1 ZINC000079355158 472851678 /nfs/dbraw/zinc/85/16/78/472851678.db2.gz OANBVZSPDRYNGJ-KGLIPLIRSA-N 1 2 345.472 2.688 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439319 472863586 /nfs/dbraw/zinc/86/35/86/472863586.db2.gz KRTJEWWHCHFYMS-CYBMUJFWSA-N 1 2 333.436 2.862 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439319 472863593 /nfs/dbraw/zinc/86/35/93/472863593.db2.gz KRTJEWWHCHFYMS-CYBMUJFWSA-N 1 2 333.436 2.862 40 0 EFABLO O[C@H](Cn1cc[nH+]c1-c1cncc(Br)c1)C(F)(F)F ZINC000158513850 472943194 /nfs/dbraw/zinc/94/31/94/472943194.db2.gz UVGAHGSQEOQGMO-SECBINFHSA-N 1 2 336.111 2.631 40 0 EFABLO CN(C)c1[nH+]cccc1CNC(=O)c1cccc(Nc2cnccn2)c1 ZINC000096414270 473394078 /nfs/dbraw/zinc/39/40/78/473394078.db2.gz FQPPBQGBLJCBLB-UHFFFAOYSA-N 1 2 348.410 2.611 40 0 EFABLO CCn1cnnc1C1CC[NH+]([C@@H](C(=O)OC)c2ccccc2C)CC1 ZINC000162968829 473400985 /nfs/dbraw/zinc/40/09/85/473400985.db2.gz MAOHTHHZIDNAIW-QGZVFWFLSA-N 1 2 342.443 2.700 40 0 EFABLO C[C@H](c1cccnc1)N1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000096424311 473402217 /nfs/dbraw/zinc/40/22/17/473402217.db2.gz ATRFTBDBEAFKDS-AUUYWEPGSA-N 1 2 347.409 2.772 40 0 EFABLO Cc1ccc([C@]2(C)NC(=O)N(Cc3c(C)[nH+]c4ccccn43)C2=O)o1 ZINC000096424893 473404191 /nfs/dbraw/zinc/40/41/91/473404191.db2.gz LPZIUVNHHKZXPE-SFHVURJKSA-N 1 2 338.367 2.511 40 0 EFABLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1CCCOC1 ZINC000096432943 473411716 /nfs/dbraw/zinc/41/17/16/473411716.db2.gz PQJGRJIKBDEVDS-KRWDZBQOSA-N 1 2 331.460 2.573 40 0 EFABLO Cc1nc(C(C)(C)[NH2+]Cc2nnnn2-c2ccccc2)sc1C ZINC000096443572 473421495 /nfs/dbraw/zinc/42/14/95/473421495.db2.gz LIBYOJLOTUXGFO-UHFFFAOYSA-N 1 2 328.445 2.761 40 0 EFABLO COC(=O)[C@@H](C)SCc1cn2cc(Br)ccc2[nH+]1 ZINC000096486597 473444914 /nfs/dbraw/zinc/44/49/14/473444914.db2.gz KRAHHIDQIFEZOI-MRVPVSSYSA-N 1 2 329.219 2.892 40 0 EFABLO CCSc1ccc(Cl)cc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000096460182 473433055 /nfs/dbraw/zinc/43/30/55/473433055.db2.gz PSUYBUQZQBWGAO-GFCCVEGCSA-N 1 2 342.892 2.903 40 0 EFABLO O=C(N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1(c2ccc(F)cc2)CC1 ZINC000096468582 473436096 /nfs/dbraw/zinc/43/60/96/473436096.db2.gz CVNGBBVSBCRIQL-QGZVFWFLSA-N 1 2 326.371 2.932 40 0 EFABLO O=C(NCCc1cc2ccccc2[nH]1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000096483107 473442257 /nfs/dbraw/zinc/44/22/57/473442257.db2.gz WGIBYBJKDCEUGD-UHFFFAOYSA-N 1 2 331.379 2.721 40 0 EFABLO Cc1cc(C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)ccc1Oc1cccnc1 ZINC000096489418 473446075 /nfs/dbraw/zinc/44/60/75/473446075.db2.gz ZGRIYTFBJFPGLD-INIZCTEOSA-N 1 2 346.452 2.801 40 0 EFABLO Cc1cc(C[N@H+](C)[C@H]2CCS(=O)(=O)C2)ccc1Oc1cccnc1 ZINC000096489418 473446077 /nfs/dbraw/zinc/44/60/77/473446077.db2.gz ZGRIYTFBJFPGLD-INIZCTEOSA-N 1 2 346.452 2.801 40 0 EFABLO Cc1cc(C(=O)N2CCc3c([nH+]cn3CCc3ccccc3)C2)on1 ZINC000096490123 473446136 /nfs/dbraw/zinc/44/61/36/473446136.db2.gz LPLUFUSXZYFLMS-UHFFFAOYSA-N 1 2 336.395 2.621 40 0 EFABLO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ncc(Br)s1 ZINC000096490317 473446553 /nfs/dbraw/zinc/44/65/53/473446553.db2.gz CUIMOOLCUHFJLU-IUCAKERBSA-N 1 2 346.294 2.956 40 0 EFABLO C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ncc(Br)s1 ZINC000096490319 473446563 /nfs/dbraw/zinc/44/65/63/473446563.db2.gz CUIMOOLCUHFJLU-BDAKNGLRSA-N 1 2 346.294 2.956 40 0 EFABLO COc1cncc(N2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)n1 ZINC000096496399 473451479 /nfs/dbraw/zinc/45/14/79/473451479.db2.gz MXKSIWRESNYDNN-CYBMUJFWSA-N 1 2 339.399 2.510 40 0 EFABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccn(C)c2)CC1 ZINC000096503163 473455079 /nfs/dbraw/zinc/45/50/79/473455079.db2.gz WZQVNJOVRNNONM-CQSZACIVSA-N 1 2 332.473 2.675 40 0 EFABLO CC(C)(C)SCCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000096502995 473455584 /nfs/dbraw/zinc/45/55/84/473455584.db2.gz QMQXGMFZPQTAAC-UHFFFAOYSA-N 1 2 336.505 2.835 40 0 EFABLO COc1cccc(CN2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1 ZINC000172007537 473499752 /nfs/dbraw/zinc/49/97/52/473499752.db2.gz RVAMKASFXSDFBN-UHFFFAOYSA-N 1 2 341.459 2.634 40 0 EFABLO O=C(NCc1[nH+]ccn1Cc1ccccc1)c1c(O)cccc1F ZINC000126732294 473541210 /nfs/dbraw/zinc/54/12/10/473541210.db2.gz VKSVNXSRTMQHLT-UHFFFAOYSA-N 1 2 325.343 2.706 40 0 EFABLO O=C(COc1ccccc1CNc1cc[nH+]cc1F)N1CCCC1 ZINC000192150622 473638383 /nfs/dbraw/zinc/63/83/83/473638383.db2.gz BBCJSPDQNIJYQG-UHFFFAOYSA-N 1 2 329.375 2.834 40 0 EFABLO CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000153922241 473650669 /nfs/dbraw/zinc/65/06/69/473650669.db2.gz CWHOEDYZWWUMRT-HZPDHXFCSA-N 1 2 344.463 2.528 40 0 EFABLO C[C@@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCS1 ZINC000192235944 473653655 /nfs/dbraw/zinc/65/36/55/473653655.db2.gz GJNIDNYUAUZOSM-OAHLLOKOSA-N 1 2 344.484 2.968 40 0 EFABLO Cc1cc(NC(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc[nH+]1 ZINC000179840050 473739889 /nfs/dbraw/zinc/73/98/89/473739889.db2.gz RPHCFTSJOZELQG-INIZCTEOSA-N 1 2 338.411 2.560 40 0 EFABLO Cn1ncc2c1nc[nH+]c2N1CCC[C@H]1CC(=O)c1cccs1 ZINC000180340483 473856962 /nfs/dbraw/zinc/85/69/62/473856962.db2.gz GBVQVJMCULFNHV-NSHDSACASA-N 1 2 327.413 2.667 40 0 EFABLO O=C(NCC[C@@H]1CCCCO1)NCc1ccccc1-n1cc[nH+]c1 ZINC000181066690 474002850 /nfs/dbraw/zinc/00/28/50/474002850.db2.gz YICFNDRXUSUSBO-INIZCTEOSA-N 1 2 328.416 2.631 40 0 EFABLO c1ccc(-n2c(C[NH+]3CCCC3)nnc2S[C@H]2CCOC2)cc1 ZINC000188199725 474017338 /nfs/dbraw/zinc/01/73/38/474017338.db2.gz YCKIKVSIPHOLDD-HNNXBMFYSA-N 1 2 330.457 2.744 40 0 EFABLO COC(=O)CCc1csc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000195230653 474034184 /nfs/dbraw/zinc/03/41/84/474034184.db2.gz FSJQIMGDSXHSHZ-MRXNPFEDSA-N 1 2 346.452 2.822 40 0 EFABLO COC(=O)CCc1csc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000195230653 474034194 /nfs/dbraw/zinc/03/41/94/474034194.db2.gz FSJQIMGDSXHSHZ-MRXNPFEDSA-N 1 2 346.452 2.822 40 0 EFABLO O=C(c1c[nH]c2ccccc12)N1CCC[N@H+](Cc2nccs2)CC1 ZINC000195544706 474092491 /nfs/dbraw/zinc/09/24/91/474092491.db2.gz HTFJAPNGVZTNJP-UHFFFAOYSA-N 1 2 340.452 2.973 40 0 EFABLO O=C(c1c[nH]c2ccccc12)N1CCC[N@@H+](Cc2nccs2)CC1 ZINC000195544706 474092499 /nfs/dbraw/zinc/09/24/99/474092499.db2.gz HTFJAPNGVZTNJP-UHFFFAOYSA-N 1 2 340.452 2.973 40 0 EFABLO Cc1[nH+]c2ccccc2n1CCCOC(=O)c1cnc2c(c1)ncn2C ZINC000195566366 474097215 /nfs/dbraw/zinc/09/72/15/474097215.db2.gz NZEBXSASXHEZBC-UHFFFAOYSA-N 1 2 349.394 2.874 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000195573820 474099369 /nfs/dbraw/zinc/09/93/69/474099369.db2.gz KJZOMYIPAQFVSK-INIZCTEOSA-N 1 2 334.464 2.640 40 0 EFABLO C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247539111 474176351 /nfs/dbraw/zinc/17/63/51/474176351.db2.gz JXAMMBLCQASEFJ-BFYDXBDKSA-N 1 2 337.431 2.503 40 0 EFABLO C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247539111 474176357 /nfs/dbraw/zinc/17/63/57/474176357.db2.gz JXAMMBLCQASEFJ-BFYDXBDKSA-N 1 2 337.431 2.503 40 0 EFABLO C[C@H](c1nnnn1-c1ccccc1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247539111 474176367 /nfs/dbraw/zinc/17/63/67/474176367.db2.gz JXAMMBLCQASEFJ-BFYDXBDKSA-N 1 2 337.431 2.503 40 0 EFABLO Cc1c(F)cccc1NC(=O)Nc1c[nH+]c(N(C)C)nc1N(C)C ZINC000224140469 474195170 /nfs/dbraw/zinc/19/51/70/474195170.db2.gz GGBXDCZQCNOIFP-UHFFFAOYSA-N 1 2 332.383 2.700 40 0 EFABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)/C=C/c1ccco1 ZINC000224357399 474196395 /nfs/dbraw/zinc/19/63/95/474196395.db2.gz VFQPOHWYGPHIFL-CMDGGOBGSA-N 1 2 341.415 2.778 40 0 EFABLO CCc1ccc(C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1 ZINC000224352696 474197273 /nfs/dbraw/zinc/19/72/73/474197273.db2.gz VOROPDQRWFFCDQ-UHFFFAOYSA-N 1 2 339.443 2.958 40 0 EFABLO COc1cccnc1NC(=S)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000225455692 474213306 /nfs/dbraw/zinc/21/33/06/474213306.db2.gz KLUJXMOSROEBGN-UHFFFAOYSA-N 1 2 339.424 2.763 40 0 EFABLO O=C1CCCN1CC[C@H]1CCOC12C[NH+](Cc1cccc(Cl)c1)C2 ZINC000247857095 474216663 /nfs/dbraw/zinc/21/66/63/474216663.db2.gz KEUMMBVCDMSQKL-INIZCTEOSA-N 1 2 348.874 2.943 40 0 EFABLO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000225493875 474217801 /nfs/dbraw/zinc/21/78/01/474217801.db2.gz GIGDPUXYQBLVHL-INIZCTEOSA-N 1 2 347.409 2.871 40 0 biogenic,in-vitro EFABLO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000225493875 474217802 /nfs/dbraw/zinc/21/78/02/474217802.db2.gz GIGDPUXYQBLVHL-INIZCTEOSA-N 1 2 347.409 2.871 40 0 biogenic,in-vitro EFABLO COc1ccc2ccccc2c1CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000225511051 474218972 /nfs/dbraw/zinc/21/89/72/474218972.db2.gz CVOFMTRVIZXKHJ-UHFFFAOYSA-N 1 2 334.383 2.719 40 0 EFABLO O=C(CC1CC1)NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247878860 474220993 /nfs/dbraw/zinc/22/09/93/474220993.db2.gz UUVFTCUTYXKOOB-INIZCTEOSA-N 1 2 344.484 2.808 40 0 EFABLO O=C(CC1CC1)NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000247878860 474221000 /nfs/dbraw/zinc/22/10/00/474221000.db2.gz UUVFTCUTYXKOOB-INIZCTEOSA-N 1 2 344.484 2.808 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3CCOc2cccnc2)n1 ZINC000247893885 474221606 /nfs/dbraw/zinc/22/16/06/474221606.db2.gz WMEYTSDDLMOMFR-QGZVFWFLSA-N 1 2 339.439 2.845 40 0 EFABLO COC[C@@H]1CN(C(=O)CCc2ccccc2Cl)Cc2c[nH+]cn21 ZINC000247887446 474221747 /nfs/dbraw/zinc/22/17/47/474221747.db2.gz RYWRKRKWTMZMCU-HNNXBMFYSA-N 1 2 333.819 2.699 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOc2ccccn2)n1 ZINC000247902716 474223377 /nfs/dbraw/zinc/22/33/77/474223377.db2.gz ZOCRWIFDJGHPIP-KRWDZBQOSA-N 1 2 339.439 2.845 40 0 EFABLO c1ccc(COCC[C@@H]2CCOC23C[NH+](Cc2cccnc2)C3)nc1 ZINC000247915541 474223722 /nfs/dbraw/zinc/22/37/22/474223722.db2.gz ZEEIYUQNCHHIOF-GOSISDBHSA-N 1 2 339.439 2.674 40 0 EFABLO Cc1nc(C(=O)N2CC[N@@H+](Cc3cccnc3)C[C@H]2C)c(C)s1 ZINC000225547676 474224058 /nfs/dbraw/zinc/22/40/58/474224058.db2.gz OIOLBIQQTRTYRK-GFCCVEGCSA-N 1 2 330.457 2.501 40 0 EFABLO Cc1nc(C(=O)N2CC[N@H+](Cc3cccnc3)C[C@H]2C)c(C)s1 ZINC000225547676 474224060 /nfs/dbraw/zinc/22/40/60/474224060.db2.gz OIOLBIQQTRTYRK-GFCCVEGCSA-N 1 2 330.457 2.501 40 0 EFABLO Cc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)no1 ZINC000247944654 474230074 /nfs/dbraw/zinc/23/00/74/474230074.db2.gz VVJOKAMLIOQIIX-HKUYNNGSSA-N 1 2 343.427 2.828 40 0 EFABLO Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)no1 ZINC000247944654 474230084 /nfs/dbraw/zinc/23/00/84/474230084.db2.gz VVJOKAMLIOQIIX-HKUYNNGSSA-N 1 2 343.427 2.828 40 0 EFABLO COc1cccc(C2CC[NH+](Cc3nc(N(C)C)no3)CC2)c1F ZINC000225628839 474230226 /nfs/dbraw/zinc/23/02/26/474230226.db2.gz NXSWYNUDUOQCDS-UHFFFAOYSA-N 1 2 334.395 2.663 40 0 EFABLO CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000225658222 474233443 /nfs/dbraw/zinc/23/34/43/474233443.db2.gz QFDCTGLFSMJSIS-AWEZNQCLSA-N 1 2 345.468 2.888 40 0 EFABLO CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000225658222 474233450 /nfs/dbraw/zinc/23/34/50/474233450.db2.gz QFDCTGLFSMJSIS-AWEZNQCLSA-N 1 2 345.468 2.888 40 0 EFABLO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000248119059 474262517 /nfs/dbraw/zinc/26/25/17/474262517.db2.gz CUANCYIZWOPHCO-KRWDZBQOSA-N 1 2 340.423 2.903 40 0 EFABLO Cc1c(=O)[nH]c(SCC[N@@H+]2CCO[C@H](C)C2)nc1-c1ccccc1 ZINC000189481238 474414513 /nfs/dbraw/zinc/41/45/13/474414513.db2.gz MZAMVJLXYKFEPL-CYBMUJFWSA-N 1 2 345.468 2.558 40 0 EFABLO Cc1c(=O)[nH]c(SCC[N@H+]2CCO[C@H](C)C2)nc1-c1ccccc1 ZINC000189481238 474414517 /nfs/dbraw/zinc/41/45/17/474414517.db2.gz MZAMVJLXYKFEPL-CYBMUJFWSA-N 1 2 345.468 2.558 40 0 EFABLO O=c1[nH]nc([C@@H]2CCC[N@H+](Cc3csc(C4CCCC4)n3)C2)o1 ZINC000283918922 474526466 /nfs/dbraw/zinc/52/64/66/474526466.db2.gz GJWHHSULEPTRHG-GFCCVEGCSA-N 1 2 334.445 2.857 40 0 EFABLO O=c1[nH]nc([C@@H]2CCC[N@@H+](Cc3csc(C4CCCC4)n3)C2)o1 ZINC000283918922 474526470 /nfs/dbraw/zinc/52/64/70/474526470.db2.gz GJWHHSULEPTRHG-GFCCVEGCSA-N 1 2 334.445 2.857 40 0 EFABLO Cc1nc(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c(C)c(C)[nH+]1 ZINC000239654519 474546398 /nfs/dbraw/zinc/54/63/98/474546398.db2.gz BODOXWKEWVMVJF-UHFFFAOYSA-N 1 2 342.491 2.676 40 0 EFABLO Cc1cccc(OCC(=O)N2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC000244998616 474569363 /nfs/dbraw/zinc/56/93/63/474569363.db2.gz KMGOGQAJPNRFIJ-UHFFFAOYSA-N 1 2 326.396 2.839 40 0 EFABLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245287251 474573767 /nfs/dbraw/zinc/57/37/67/474573767.db2.gz BRCNPISXZRHFHQ-UHOFOFEASA-N 1 2 340.826 2.767 40 0 EFABLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245287251 474573772 /nfs/dbraw/zinc/57/37/72/474573772.db2.gz BRCNPISXZRHFHQ-UHOFOFEASA-N 1 2 340.826 2.767 40 0 EFABLO c1ccc([C@H]2OCC[C@H]2Nc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000277704923 474593602 /nfs/dbraw/zinc/59/36/02/474593602.db2.gz GTQHUPQUAIHLQZ-CRAIPNDOSA-N 1 2 342.468 2.972 40 0 EFABLO c1ccc([C@H]2OCC[C@H]2Nc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000277704923 474593608 /nfs/dbraw/zinc/59/36/08/474593608.db2.gz GTQHUPQUAIHLQZ-CRAIPNDOSA-N 1 2 342.468 2.972 40 0 EFABLO O=C(Cc1ccc(F)cc1F)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000252498594 474681536 /nfs/dbraw/zinc/68/15/36/474681536.db2.gz RFQJDURHHRKCDC-UHFFFAOYSA-N 1 2 332.350 2.972 40 0 EFABLO CC[C@H]1CC[C@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)o2)CC1 ZINC000252536629 474693634 /nfs/dbraw/zinc/69/36/34/474693634.db2.gz JAHJVJUTLWYELQ-WKILWMFISA-N 1 2 334.460 2.944 40 0 EFABLO C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H](c2ccccc2)CO1 ZINC000253418106 474744892 /nfs/dbraw/zinc/74/48/92/474744892.db2.gz DISHLCNIRVZMHK-UNEWFSDZSA-N 1 2 325.412 2.818 40 0 EFABLO Cc1ccc2[nH]c([C@@H]3CCCN(c4nccn5cnnc45)C3)[nH+]c2c1 ZINC000253428441 474752243 /nfs/dbraw/zinc/75/22/43/474752243.db2.gz JXKQRHVRGJDVAR-CYBMUJFWSA-N 1 2 333.399 2.693 40 0 EFABLO COc1cc(OC)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1F ZINC000253429637 474755371 /nfs/dbraw/zinc/75/53/71/474755371.db2.gz UILXGGGXVZADQE-UHFFFAOYSA-N 1 2 348.378 2.978 40 0 EFABLO COc1cc(OC)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000253429637 474755379 /nfs/dbraw/zinc/75/53/79/474755379.db2.gz UILXGGGXVZADQE-UHFFFAOYSA-N 1 2 348.378 2.978 40 0 EFABLO c1nc(N2CCC(OC[C@H]3CCCCO3)CC2)cc(N2CCCC2)[nH+]1 ZINC000253433405 474757546 /nfs/dbraw/zinc/75/75/46/474757546.db2.gz WLSFTMOZXMFUOM-QGZVFWFLSA-N 1 2 346.475 2.631 40 0 EFABLO c1nc(N2CCCC2)cc(N2CCC(OC[C@H]3CCCCO3)CC2)[nH+]1 ZINC000253433405 474757557 /nfs/dbraw/zinc/75/75/57/474757557.db2.gz WLSFTMOZXMFUOM-QGZVFWFLSA-N 1 2 346.475 2.631 40 0 EFABLO O=C(NCC1([NH+]2CCOCC2)CC1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000253433616 474759531 /nfs/dbraw/zinc/75/95/31/474759531.db2.gz ZLJQEKHOLJXXDP-QGZVFWFLSA-N 1 2 347.434 2.537 40 0 EFABLO c1coc(C[N@@H+]2Cc3ccnn3[C@@H](CCOCC3CCOCC3)C2)c1 ZINC000306130382 474809276 /nfs/dbraw/zinc/80/92/76/474809276.db2.gz JENHBLFJSMBCPU-SFHVURJKSA-N 1 2 345.443 2.866 40 0 EFABLO c1coc(C[N@H+]2Cc3ccnn3[C@@H](CCOCC3CCOCC3)C2)c1 ZINC000306130382 474809282 /nfs/dbraw/zinc/80/92/82/474809282.db2.gz JENHBLFJSMBCPU-SFHVURJKSA-N 1 2 345.443 2.866 40 0 EFABLO CCS(=O)(=O)C1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC000278782773 474832153 /nfs/dbraw/zinc/83/21/53/474832153.db2.gz VVHFLNKVYAGNAT-UHFFFAOYSA-N 1 2 332.469 2.942 40 0 EFABLO FC(F)(F)c1cccc(OCCc2cc([C@@H]3C[NH2+]CCO3)n[nH]2)c1 ZINC000257283079 474929868 /nfs/dbraw/zinc/92/98/68/474929868.db2.gz OWRZAEPCQLUVCE-HNNXBMFYSA-N 1 2 341.333 2.711 40 0 EFABLO Cc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)c1 ZINC000257283632 474932541 /nfs/dbraw/zinc/93/25/41/474932541.db2.gz OZCYIBLOGMPRRY-HNNXBMFYSA-N 1 2 333.457 2.501 40 0 EFABLO Cc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)c1 ZINC000257283632 474932551 /nfs/dbraw/zinc/93/25/51/474932551.db2.gz OZCYIBLOGMPRRY-HNNXBMFYSA-N 1 2 333.457 2.501 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)c2sc(C)nc2C)CC[N@@H+]1C ZINC000257290719 474934416 /nfs/dbraw/zinc/93/44/16/474934416.db2.gz QEAYHVOUIGGESY-HNNXBMFYSA-N 1 2 345.468 2.897 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)c2sc(C)nc2C)CC[N@H+]1C ZINC000257290719 474934425 /nfs/dbraw/zinc/93/44/25/474934425.db2.gz QEAYHVOUIGGESY-HNNXBMFYSA-N 1 2 345.468 2.897 40 0 EFABLO CNc1cncc([C@H]2CCC[N@@H+]2Cc2c(C)nc3sccn23)n1 ZINC000257294359 474935880 /nfs/dbraw/zinc/93/58/80/474935880.db2.gz QTTFQNWJXCLZRQ-CYBMUJFWSA-N 1 2 328.445 2.873 40 0 EFABLO CNc1cncc([C@H]2CCC[N@H+]2Cc2c(C)nc3sccn23)n1 ZINC000257294359 474935886 /nfs/dbraw/zinc/93/58/86/474935886.db2.gz QTTFQNWJXCLZRQ-CYBMUJFWSA-N 1 2 328.445 2.873 40 0 EFABLO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCO[C@@H](c2nccnc2N)C1 ZINC000257297195 474939157 /nfs/dbraw/zinc/93/91/57/474939157.db2.gz RGGRDXAPCCCCDL-MRXNPFEDSA-N 1 2 341.390 2.561 40 0 EFABLO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCO[C@@H](c2nccnc2N)C1 ZINC000257297195 474939161 /nfs/dbraw/zinc/93/91/61/474939161.db2.gz RGGRDXAPCCCCDL-MRXNPFEDSA-N 1 2 341.390 2.561 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)c2cc(C)c(C)[nH]c2=O)cc[nH+]1 ZINC000257295882 474939364 /nfs/dbraw/zinc/93/93/64/474939364.db2.gz RAGNVAZXOAJAEW-OAHLLOKOSA-N 1 2 326.400 2.818 40 0 EFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H](c2cncc(C)n2)C1 ZINC000257296982 474939454 /nfs/dbraw/zinc/93/94/54/474939454.db2.gz RFGGRQNVZOGJEH-MRXNPFEDSA-N 1 2 349.438 2.690 40 0 EFABLO Cc1cn(C)c([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257305460 474943690 /nfs/dbraw/zinc/94/36/90/474943690.db2.gz SQCUHHLSBWATAO-QGZVFWFLSA-N 1 2 337.427 2.692 40 0 EFABLO Cc1cn(C)c([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257305460 474943701 /nfs/dbraw/zinc/94/37/01/474943701.db2.gz SQCUHHLSBWATAO-QGZVFWFLSA-N 1 2 337.427 2.692 40 0 EFABLO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000257308466 474944999 /nfs/dbraw/zinc/94/49/99/474944999.db2.gz TWUXCEGJYXQLSO-ZDUSSCGKSA-N 1 2 326.429 2.969 40 0 EFABLO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000257308466 474945009 /nfs/dbraw/zinc/94/50/09/474945009.db2.gz TWUXCEGJYXQLSO-ZDUSSCGKSA-N 1 2 326.429 2.969 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)cc[nH+]1 ZINC000257311907 474946802 /nfs/dbraw/zinc/94/68/02/474946802.db2.gz ULNNYBQLQUSTCS-INIZCTEOSA-N 1 2 338.411 2.690 40 0 EFABLO Cc1ccnc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257312406 474947527 /nfs/dbraw/zinc/94/75/27/474947527.db2.gz UNVCSQWFDYCWBG-AWEZNQCLSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1ccnc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257312406 474947536 /nfs/dbraw/zinc/94/75/36/474947536.db2.gz UNVCSQWFDYCWBG-AWEZNQCLSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CC[N@@H+](C)Cc1ccccn1 ZINC000257311273 474947817 /nfs/dbraw/zinc/94/78/17/474947817.db2.gz UITHUOBFJMLWII-KRWDZBQOSA-N 1 2 341.459 2.689 40 0 EFABLO Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CC[N@H+](C)Cc1ccccn1 ZINC000257311273 474947826 /nfs/dbraw/zinc/94/78/26/474947826.db2.gz UITHUOBFJMLWII-KRWDZBQOSA-N 1 2 341.459 2.689 40 0 EFABLO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCC[N@@H+]2Cc2cnccn2)n1 ZINC000257316324 474949226 /nfs/dbraw/zinc/94/92/26/474949226.db2.gz VFBXSENGQJAWLD-KRWDZBQOSA-N 1 2 335.415 2.692 40 0 EFABLO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCC[N@H+]2Cc2cnccn2)n1 ZINC000257316324 474949232 /nfs/dbraw/zinc/94/92/32/474949232.db2.gz VFBXSENGQJAWLD-KRWDZBQOSA-N 1 2 335.415 2.692 40 0 EFABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3nc4ccccc4[nH]3)C2)[nH+]1 ZINC000257321412 474952702 /nfs/dbraw/zinc/95/27/02/474952702.db2.gz WBOIMLBFNFZIQL-CQSZACIVSA-N 1 2 337.427 2.554 40 0 EFABLO CCCn1ccnc1C[N@@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257321750 474952815 /nfs/dbraw/zinc/95/28/15/474952815.db2.gz WDBVCCUQRWCVMI-OAHLLOKOSA-N 1 2 340.431 2.769 40 0 EFABLO CCCn1ccnc1C[N@H+]1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257321750 474952822 /nfs/dbraw/zinc/95/28/22/474952822.db2.gz WDBVCCUQRWCVMI-OAHLLOKOSA-N 1 2 340.431 2.769 40 0 EFABLO CCCn1cc[nH+]c1CN1CCCC[C@@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257321750 474952831 /nfs/dbraw/zinc/95/28/31/474952831.db2.gz WDBVCCUQRWCVMI-OAHLLOKOSA-N 1 2 340.431 2.769 40 0 EFABLO Cc1nccc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257327892 474956742 /nfs/dbraw/zinc/95/67/42/474956742.db2.gz XDFCSXSEZOTMLI-GOSISDBHSA-N 1 2 335.411 2.749 40 0 EFABLO Cc1nccc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257327892 474956748 /nfs/dbraw/zinc/95/67/48/474956748.db2.gz XDFCSXSEZOTMLI-GOSISDBHSA-N 1 2 335.411 2.749 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc(C)nc3onc(C)c32)[nH+]1 ZINC000257337165 474961273 /nfs/dbraw/zinc/96/12/73/474961273.db2.gz YRSKTCVQTOGAOB-CQSZACIVSA-N 1 2 339.399 2.859 40 0 EFABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cnccn3)C2)c2cc(F)ccc21 ZINC000257344735 474965325 /nfs/dbraw/zinc/96/53/25/474965325.db2.gz ZYLZZPNDLOJIJC-SFHVURJKSA-N 1 2 326.375 2.681 40 0 EFABLO Cn1cc(C[N@H+]2CCO[C@H](c3cnccn3)C2)c2cc(F)ccc21 ZINC000257344735 474965334 /nfs/dbraw/zinc/96/53/34/474965334.db2.gz ZYLZZPNDLOJIJC-SFHVURJKSA-N 1 2 326.375 2.681 40 0 EFABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2C ZINC000261364927 474974058 /nfs/dbraw/zinc/97/40/58/474974058.db2.gz OSYXBSDTYVMXTR-LLVKDONJSA-O 1 2 345.448 2.914 40 0 EFABLO C[C@@H](O)[C@@H]1CCN(c2cc(N3Cc4ccc(Cl)cc4C3)nc[nH+]2)C1 ZINC000334136617 476122034 /nfs/dbraw/zinc/12/20/34/476122034.db2.gz YWYNIQSPVMFKKC-CHWSQXEVSA-N 1 2 344.846 2.857 40 0 EFABLO C[C@@H](O)[C@@H]1CCN(c2cc(N3Cc4ccc(Cl)cc4C3)[nH+]cn2)C1 ZINC000334136617 476122039 /nfs/dbraw/zinc/12/20/39/476122039.db2.gz YWYNIQSPVMFKKC-CHWSQXEVSA-N 1 2 344.846 2.857 40 0 EFABLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N(Cc1cccnc1)C1CC1 ZINC000363475063 476400981 /nfs/dbraw/zinc/40/09/81/476400981.db2.gz SDFJDMYFHUDUEN-UHFFFAOYSA-N 1 2 348.410 2.537 40 0 EFABLO CC(C)c1nc2c(n1C)CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC000354075578 476408329 /nfs/dbraw/zinc/40/83/29/476408329.db2.gz MERUGHAOMUGDQZ-UHFFFAOYSA-N 1 2 340.475 2.887 40 0 EFABLO CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000451927721 476731327 /nfs/dbraw/zinc/73/13/27/476731327.db2.gz LALPRSGAUOKJJY-VIFPVBQESA-N 1 2 331.800 2.735 40 0 EFABLO CN(C)c1cccc(C(=O)N2CC([N@@H+]3CCc4sccc4C3)C2)c1 ZINC000390827864 476801047 /nfs/dbraw/zinc/80/10/47/476801047.db2.gz LHLQYTZFACCMAK-UHFFFAOYSA-N 1 2 341.480 2.697 40 0 EFABLO CN(C)c1cccc(C(=O)N2CC([N@H+]3CCc4sccc4C3)C2)c1 ZINC000390827864 476801056 /nfs/dbraw/zinc/80/10/56/476801056.db2.gz LHLQYTZFACCMAK-UHFFFAOYSA-N 1 2 341.480 2.697 40 0 EFABLO COc1cccc2c1CC[C@@H]2NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000366027884 476823757 /nfs/dbraw/zinc/82/37/57/476823757.db2.gz CODHWTLAUOTNBG-BBRMVZONSA-N 1 2 340.427 2.995 40 0 EFABLO Cc1ccc([C@]23CCC[C@@H]4C[N@H+](Cc5cnc(N)nc5)[C@H](O2)[C@@H]43)cc1 ZINC000409412929 476983772 /nfs/dbraw/zinc/98/37/72/476983772.db2.gz AMHBKTQICGWSHC-UIXUWTQFSA-N 1 2 336.439 2.851 40 0 EFABLO Cc1ccc([C@]23CCC[C@@H]4C[N@@H+](Cc5cnc(N)nc5)[C@H](O2)[C@@H]43)cc1 ZINC000409412929 476983779 /nfs/dbraw/zinc/98/37/79/476983779.db2.gz AMHBKTQICGWSHC-UIXUWTQFSA-N 1 2 336.439 2.851 40 0 EFABLO COCCc1c[nH+]c2n1CCN(C(=O)Cc1ccc(C)cc1)[C@H]2C ZINC000585098513 479280820 /nfs/dbraw/zinc/28/08/20/479280820.db2.gz ULDSISGJAFEMQI-HNNXBMFYSA-N 1 2 327.428 2.526 40 0 EFABLO COC[C@H]1CCn2c[nH+]cc2CN1C(=O)CCc1ccccc1C ZINC000585098315 479280840 /nfs/dbraw/zinc/28/08/40/479280840.db2.gz VVBGPXGXTRIGAL-QGZVFWFLSA-N 1 2 327.428 2.572 40 0 EFABLO Cc1cccnc1C[N@@H+]1Cc2ccnn2CC[C@@H]1COCC1CC1 ZINC000585097031 479281169 /nfs/dbraw/zinc/28/11/69/479281169.db2.gz GSSDYJQQNJPODE-GOSISDBHSA-N 1 2 326.444 2.788 40 0 EFABLO Cc1cccnc1C[N@H+]1Cc2ccnn2CC[C@@H]1COCC1CC1 ZINC000585097031 479281172 /nfs/dbraw/zinc/28/11/72/479281172.db2.gz GSSDYJQQNJPODE-GOSISDBHSA-N 1 2 326.444 2.788 40 0 EFABLO Cc1cc(CN2CCn3c(CCOCC4CCC4)c[nH+]c3[C@@H]2C)[nH]n1 ZINC000585096991 479281302 /nfs/dbraw/zinc/28/13/02/479281302.db2.gz DIIQLFIHIRCILT-HNNXBMFYSA-N 1 2 343.475 2.851 40 0 EFABLO Cc1occc1C(=O)N1CCn2c(CCOCC3CC3)c[nH+]c2[C@H]1C ZINC000585097301 479281591 /nfs/dbraw/zinc/28/15/91/479281591.db2.gz IFKGXCFIQOMSLM-CYBMUJFWSA-N 1 2 343.427 2.971 40 0 EFABLO O=C(c1cccnc1)N1Cc2c[nH+]cn2CC[C@@H]1COc1ccccc1 ZINC000585097114 479281693 /nfs/dbraw/zinc/28/16/93/479281693.db2.gz HNRPEOCASIITJC-QGZVFWFLSA-N 1 2 348.406 2.772 40 0 EFABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1cccs1)C2)c1ccco1 ZINC000585103272 479284537 /nfs/dbraw/zinc/28/45/37/479284537.db2.gz STULVXXKXIXULF-CQSZACIVSA-N 1 2 346.452 2.752 40 0 EFABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)n1 ZINC000585103997 479284891 /nfs/dbraw/zinc/28/48/91/479284891.db2.gz FHSLUMPTUIMJPH-IBGZPJMESA-N 1 2 339.439 2.735 40 0 EFABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2C[C@@H]2C)CC3)c1 ZINC000585111380 479287133 /nfs/dbraw/zinc/28/71/33/479287133.db2.gz RKZXWJURPUXEGZ-WMLDXEAASA-N 1 2 339.439 2.737 40 0 EFABLO O=C(NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)C1CCC1 ZINC000585111995 479289164 /nfs/dbraw/zinc/28/91/64/479289164.db2.gz GNUOUSTYQMSHSY-SFHVURJKSA-N 1 2 338.455 2.746 40 0 EFABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)C1CCC1 ZINC000585111995 479289173 /nfs/dbraw/zinc/28/91/73/479289173.db2.gz GNUOUSTYQMSHSY-SFHVURJKSA-N 1 2 338.455 2.746 40 0 EFABLO O=C(CC1CC1)NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112006 479289464 /nfs/dbraw/zinc/28/94/64/479289464.db2.gz GXKNQDVPVWNQJA-OAHLLOKOSA-N 1 2 344.484 2.808 40 0 EFABLO O=C(CC1CC1)NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112006 479289470 /nfs/dbraw/zinc/28/94/70/479289470.db2.gz GXKNQDVPVWNQJA-OAHLLOKOSA-N 1 2 344.484 2.808 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)C3CC3)C2)cc1 ZINC000585112887 479289685 /nfs/dbraw/zinc/28/96/85/479289685.db2.gz XYCRIUCOFGTFMP-GOSISDBHSA-N 1 2 338.455 2.665 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)C3CC3)C2)cc1 ZINC000585112887 479289688 /nfs/dbraw/zinc/28/96/88/479289688.db2.gz XYCRIUCOFGTFMP-GOSISDBHSA-N 1 2 338.455 2.665 40 0 EFABLO CNc1[nH+]c([C@@H]2CCCCN2C(=O)c2ccncc2)c2sccn12 ZINC000585178007 479301789 /nfs/dbraw/zinc/30/17/89/479301789.db2.gz URTPLJRQJCJUSX-ZDUSSCGKSA-N 1 2 341.440 3.200 40 0 EFABLO Cc1cccc(OC[C@]2(O)CC[N@@H+](Cc3nccn3C(C)C)C2)c1 ZINC000585269025 479303239 /nfs/dbraw/zinc/30/32/39/479303239.db2.gz HXICJDGXNJVGKG-IBGZPJMESA-N 1 2 329.444 2.788 40 0 EFABLO Cc1cccc(OC[C@]2(O)CC[N@H+](Cc3nccn3C(C)C)C2)c1 ZINC000585269025 479303243 /nfs/dbraw/zinc/30/32/43/479303243.db2.gz HXICJDGXNJVGKG-IBGZPJMESA-N 1 2 329.444 2.788 40 0 EFABLO CC(=O)N[C@H]1CCCN(c2cc[nH+]c(C)n2)[C@H]1Cc1cccc(F)c1 ZINC000585273820 479305140 /nfs/dbraw/zinc/30/51/40/479305140.db2.gz FCIXCKFMTVMZBF-ROUUACIJSA-N 1 2 342.418 2.640 40 0 EFABLO CO[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1Cc1ccc(F)cc1 ZINC000585277217 479306208 /nfs/dbraw/zinc/30/62/08/479306208.db2.gz NGSOHQZCOYVVNR-ROUUACIJSA-N 1 2 345.418 2.661 40 0 EFABLO CO[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1Cc1ccccc1 ZINC000585288467 479309668 /nfs/dbraw/zinc/30/96/68/479309668.db2.gz BDPUAYLRZWACPX-FEHORCSSSA-N 1 2 325.412 2.529 40 0 EFABLO COc1cc(OC)cc(C(=O)N2CCC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000575605800 479450763 /nfs/dbraw/zinc/45/07/63/479450763.db2.gz MYSOUWFVARWIBI-INIZCTEOSA-N 1 2 342.395 2.782 40 0 EFABLO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650767605 481328527 /nfs/dbraw/zinc/32/85/27/481328527.db2.gz AMMMBYYVQQFLTE-ZDUSSCGKSA-N 1 2 346.456 2.503 40 0 EFABLO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c(C(=O)[O-])c2)C1 ZINC000650767605 481328535 /nfs/dbraw/zinc/32/85/35/481328535.db2.gz AMMMBYYVQQFLTE-ZDUSSCGKSA-N 1 2 346.456 2.503 40 0 EFABLO Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1c(O)cccc1F ZINC000186861967 533936030 /nfs/dbraw/zinc/93/60/30/533936030.db2.gz OHXZGGFELBWGAY-UHFFFAOYSA-N 1 2 344.386 2.924 40 0 EFABLO CC(C)(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc3[nH+]ccn32)C1 ZINC000266029006 534441678 /nfs/dbraw/zinc/44/16/78/534441678.db2.gz DHXUHYXHPIOZDN-CYBMUJFWSA-N 1 2 328.416 2.558 40 0 EFABLO CC(=O)N1CC[N@@H+](Cc2ccnn2C(C)C)[C@H](c2ccccc2)C1 ZINC000257270382 534794605 /nfs/dbraw/zinc/79/46/05/534794605.db2.gz MUAHWUGQLNEGNF-IBGZPJMESA-N 1 2 326.444 2.869 40 0 EFABLO CC(=O)N1CC[N@H+](Cc2ccnn2C(C)C)[C@H](c2ccccc2)C1 ZINC000257270382 534794608 /nfs/dbraw/zinc/79/46/08/534794608.db2.gz MUAHWUGQLNEGNF-IBGZPJMESA-N 1 2 326.444 2.869 40 0 EFABLO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)c1ccccc1F ZINC000245187569 526494283 /nfs/dbraw/zinc/49/42/83/526494283.db2.gz ZOWXVJBGFGGWOS-HNNXBMFYSA-N 1 2 334.416 2.939 40 0 EFABLO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccccc1-n1cc[nH+]c1 ZINC000044899759 527621007 /nfs/dbraw/zinc/62/10/07/527621007.db2.gz CWSHOKPNZOWZHE-SOFGYWHQSA-N 1 2 347.374 2.931 40 0 EFABLO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)c2[nH]nc3ccccc32)ccn1 ZINC000257249115 535993149 /nfs/dbraw/zinc/99/31/49/535993149.db2.gz JGWNHSVFWWHUPQ-SFHVURJKSA-N 1 2 349.438 2.997 40 0 EFABLO CN(C)c1cc([C@@H]2CCCN(C(=O)/C=C/c3ccncc3)C2)cc[nH+]1 ZINC000257251110 536145206 /nfs/dbraw/zinc/14/52/06/536145206.db2.gz JPKXSYGAWDVNQN-DUMMIQTOSA-N 1 2 336.439 2.962 40 0 EFABLO COc1ccc([C@H]2CN(C(=O)c3ccc(C)nc3)CC[N@@H+]2C)cc1 ZINC000257259064 536945209 /nfs/dbraw/zinc/94/52/09/536945209.db2.gz KWSFBNUTPLEIQC-GOSISDBHSA-N 1 2 325.412 2.528 40 0 EFABLO COc1ccc([C@H]2CN(C(=O)c3ccc(C)nc3)CC[N@H+]2C)cc1 ZINC000257259064 536945212 /nfs/dbraw/zinc/94/52/12/536945212.db2.gz KWSFBNUTPLEIQC-GOSISDBHSA-N 1 2 325.412 2.528 40 0 EFABLO Cc1cc(CN2CC[NH+](Cc3cnc(-c4ccccc4)o3)CC2)on1 ZINC000929102556 1297159237 /nfs/dbraw/zinc/15/92/37/1297159237.db2.gz QAFYYVFUOMSTHJ-UHFFFAOYSA-N 1 2 338.411 2.956 40 0 EFABLO Cc1cc(C[NH+]2CCN(c3ccc4cc(Cl)cnc4n3)CC2)on1 ZINC000891618655 714865297 /nfs/dbraw/zinc/86/52/97/714865297.db2.gz SOYSKKWVGUEESZ-UHFFFAOYSA-N 1 2 343.818 2.902 40 0 EFABLO O=C(NCCCn1cc[nH+]c1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000028229512 1099450537 /nfs/dbraw/zinc/45/05/37/1099450537.db2.gz VIHFLOLZIMTRHV-UHFFFAOYSA-N 1 2 343.818 2.601 40 0 EFABLO CC(C)(C)c1coc(C[NH2+]C2(C(=O)N3CCOCC3)CCCCC2)n1 ZINC000897893778 1106134884 /nfs/dbraw/zinc/13/48/84/1106134884.db2.gz ZRICTJXQHBVIDI-UHFFFAOYSA-N 1 2 349.475 2.623 40 0 EFABLO Cc1cccc(C(=O)N2CC[NH+](C[C@@H](O)c3cccs3)CC2)c1 ZINC000056921541 214395000 /nfs/dbraw/zinc/39/50/00/214395000.db2.gz DJMLFCXGZRWNQU-MRXNPFEDSA-N 1 2 330.453 2.548 40 0 EFABLO Cc1ccc(C(=O)N2CC[NH+](C[C@@H](O)c3cccs3)CC2)cc1 ZINC000056921543 214395416 /nfs/dbraw/zinc/39/54/16/214395416.db2.gz AOXSJQRBKXLYTL-MRXNPFEDSA-N 1 2 330.453 2.548 40 0 EFABLO Cc1ccccc1C(=O)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000056921538 214395693 /nfs/dbraw/zinc/39/56/93/214395693.db2.gz DRIYQQDHYRPLSM-INIZCTEOSA-N 1 2 330.453 2.548 40 0 EFABLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)Nc2cn[nH]c2)C[C@H](C)O1 ZINC000098027268 219071045 /nfs/dbraw/zinc/07/10/45/219071045.db2.gz UPMOBOFOOKLQSP-STQMWFEESA-N 1 2 329.404 2.663 40 0 EFABLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Nc2cn[nH]c2)C[C@H](C)O1 ZINC000098027267 219071175 /nfs/dbraw/zinc/07/11/75/219071175.db2.gz UPMOBOFOOKLQSP-BETUJISGSA-N 1 2 329.404 2.663 40 0 EFABLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Nc2cn[nH]c2)C[C@H](C)O1 ZINC000098027267 219071176 /nfs/dbraw/zinc/07/11/76/219071176.db2.gz UPMOBOFOOKLQSP-BETUJISGSA-N 1 2 329.404 2.663 40 0 EFABLO CC(C)c1nnc(C2CC[NH+](CC(=O)NCc3ccccc3)CC2)o1 ZINC000049377212 214004110 /nfs/dbraw/zinc/00/41/10/214004110.db2.gz KHYNRBZVEZXSLR-UHFFFAOYSA-N 1 2 342.443 2.689 40 0 EFABLO Fc1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)[NH+]2CCCCC2)cc1 ZINC000004190652 210142451 /nfs/dbraw/zinc/14/24/51/210142451.db2.gz NOBMMMGQBYPYPB-SJORKVTESA-N 1 2 345.422 2.567 40 0 EFABLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000102772764 219229639 /nfs/dbraw/zinc/22/96/39/219229639.db2.gz SRIVGZHREQECBQ-ZNMIVQPWSA-N 1 2 349.450 2.589 40 0 EFABLO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000102772764 219229641 /nfs/dbraw/zinc/22/96/41/219229641.db2.gz SRIVGZHREQECBQ-ZNMIVQPWSA-N 1 2 349.450 2.589 40 0 EFABLO Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH+]ccn3C)n2)cc1 ZINC000067898687 215245647 /nfs/dbraw/zinc/24/56/47/215245647.db2.gz VENIPPPVXWMXMD-KRWDZBQOSA-N 1 2 337.427 2.692 40 0 biogenic,in-vitro EFABLO COCc1cc(CC2([NH2+]Cc3cc4ccccc4o3)COC2)no1 ZINC000067897996 215245850 /nfs/dbraw/zinc/24/58/50/215245850.db2.gz YZBVPBHVFSQGMC-UHFFFAOYSA-N 1 2 328.368 2.669 40 0 biogenic,in-vitro EFABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000067898761 215245959 /nfs/dbraw/zinc/24/59/59/215245959.db2.gz TWLOYNDXWXWTJP-INIZCTEOSA-N 1 2 341.390 2.523 40 0 biogenic,in-vitro EFABLO COc1cccc2c1OCC(C(=O)NCc1cn3c(cccc3C)[nH+]1)=C2 ZINC000068568927 215318237 /nfs/dbraw/zinc/31/82/37/215318237.db2.gz QDUPPACUMSOKAD-UHFFFAOYSA-N 1 2 349.390 2.744 40 0 EFABLO O=C(C[NH+]1CCC(O)CC1)Nc1ccccc1Oc1ccccc1 ZINC000069245617 215372512 /nfs/dbraw/zinc/37/25/12/215372512.db2.gz HYLSNTOMLSBARF-UHFFFAOYSA-N 1 2 326.396 2.874 40 0 EFABLO CN(C)C(=O)c1cccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181552970 234227306 /nfs/dbraw/zinc/22/73/06/234227306.db2.gz LUSHKUDXVUBPBO-FQEVSTJZSA-N 1 2 338.451 2.832 40 0 EFABLO CN(C)C(=O)c1cccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181552970 234227311 /nfs/dbraw/zinc/22/73/11/234227311.db2.gz LUSHKUDXVUBPBO-FQEVSTJZSA-N 1 2 338.451 2.832 40 0 EFABLO COCc1noc([C@H](C)[NH+]2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000181888320 234367890 /nfs/dbraw/zinc/36/78/90/234367890.db2.gz FXINFCQPVAAEMD-LBPRGKRZSA-N 1 2 335.379 2.960 40 0 EFABLO Cc1cc(NC(=O)C[NH+]2CCC(CCc3ccc(O)cc3)CC2)on1 ZINC000040046908 213254665 /nfs/dbraw/zinc/25/46/65/213254665.db2.gz WTBCSLXPJHLBQC-UHFFFAOYSA-N 1 2 343.427 2.972 40 0 EFABLO COCCNC(=O)N1CCC(Cn2c[nH+]c3cc(C)c(C)cc32)CC1 ZINC000038536246 213213129 /nfs/dbraw/zinc/21/31/29/213213129.db2.gz PVCIDASZZYFSBN-UHFFFAOYSA-N 1 2 344.459 2.721 40 0 EFABLO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(F)c(O)c(F)c1 ZINC000186985078 236087888 /nfs/dbraw/zinc/08/78/88/236087888.db2.gz XELAAUSOSRIAHG-UHFFFAOYSA-N 1 2 347.365 2.712 40 0 EFABLO COc1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1F ZINC000187137843 236127711 /nfs/dbraw/zinc/12/77/11/236127711.db2.gz VNUFAFAAVPSSOF-ZDUSSCGKSA-N 1 2 330.363 2.630 40 0 EFABLO O=C(C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)NCc1ccco1 ZINC000035315661 213020418 /nfs/dbraw/zinc/02/04/18/213020418.db2.gz IDZFECWUPFGLSP-UHFFFAOYSA-N 1 2 344.386 2.630 40 0 EFABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000072360408 216167593 /nfs/dbraw/zinc/16/75/93/216167593.db2.gz FRHOIOQCWBPBGQ-OAHLLOKOSA-N 1 2 335.415 2.984 40 0 EFABLO CN(C)c1nc2c(c(N3CCCC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000072347591 216160274 /nfs/dbraw/zinc/16/02/74/216160274.db2.gz BGRZHZGHEWKCDV-UHFFFAOYSA-N 1 2 337.471 2.701 40 0 EFABLO CN(C)c1nc2c(c(N3CCCC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072347591 216160277 /nfs/dbraw/zinc/16/02/77/216160277.db2.gz BGRZHZGHEWKCDV-UHFFFAOYSA-N 1 2 337.471 2.701 40 0 EFABLO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCc2c(=O)[nH]c(C)nc2C1 ZINC000072347449 216160875 /nfs/dbraw/zinc/16/08/75/216160875.db2.gz UXVMXMNFTQVRSV-UHFFFAOYSA-N 1 2 326.375 2.978 40 0 EFABLO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCc2c(=O)[nH]c(C)nc2C1 ZINC000072347449 216160878 /nfs/dbraw/zinc/16/08/78/216160878.db2.gz UXVMXMNFTQVRSV-UHFFFAOYSA-N 1 2 326.375 2.978 40 0 EFABLO Cc1cc(Oc2ccccc2C)nc([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072361858 216168706 /nfs/dbraw/zinc/16/87/06/216168706.db2.gz VSNCXUXCSBRMOP-OAHLLOKOSA-N 1 2 340.427 2.550 40 0 EFABLO Cc1cc(Oc2ccccc2C)nc([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072361858 216168708 /nfs/dbraw/zinc/16/87/08/216168708.db2.gz VSNCXUXCSBRMOP-OAHLLOKOSA-N 1 2 340.427 2.550 40 0 EFABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)c2ccncc2)n1 ZINC000072378414 216179605 /nfs/dbraw/zinc/17/96/05/216179605.db2.gz XFCPKVYYKUCMFV-MRXNPFEDSA-N 1 2 348.410 2.597 40 0 EFABLO Cc1nc(NC2CCCC2)cc([C@@H]2CC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072387495 216187206 /nfs/dbraw/zinc/18/72/06/216187206.db2.gz QHRIKISFPCZZBJ-KRWDZBQOSA-N 1 2 326.448 2.820 40 0 EFABLO Cc1nc(NC2CCCC2)cc([C@@H]2CC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072387495 216187207 /nfs/dbraw/zinc/18/72/07/216187207.db2.gz QHRIKISFPCZZBJ-KRWDZBQOSA-N 1 2 326.448 2.820 40 0 EFABLO Cc1nc(NC2CCCC2)cc([C@@H]2CCN2Cc2cnn(C)c2)[nH+]1 ZINC000072387495 216187209 /nfs/dbraw/zinc/18/72/09/216187209.db2.gz QHRIKISFPCZZBJ-KRWDZBQOSA-N 1 2 326.448 2.820 40 0 EFABLO Cc1cc(C(=O)N(C)CCc2ccccc2)nc([C@H]2CCC[N@@H+]2C)n1 ZINC000072387207 216186327 /nfs/dbraw/zinc/18/63/27/216186327.db2.gz ACLBMROHXXIDOJ-GOSISDBHSA-N 1 2 338.455 2.866 40 0 EFABLO Cc1cc(C(=O)N(C)CCc2ccccc2)nc([C@H]2CCC[N@H+]2C)n1 ZINC000072387207 216186331 /nfs/dbraw/zinc/18/63/31/216186331.db2.gz ACLBMROHXXIDOJ-GOSISDBHSA-N 1 2 338.455 2.866 40 0 EFABLO O=C(CCc1ccccc1F)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130422119 223150900 /nfs/dbraw/zinc/15/09/00/223150900.db2.gz KEFFIRBTDDKBNZ-MRXNPFEDSA-N 1 2 327.403 2.939 40 0 EFABLO O=C(CCOc1ccccc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130950523 223190487 /nfs/dbraw/zinc/19/04/87/223190487.db2.gz KFXOQHHFUMOOMX-INIZCTEOSA-N 1 2 325.412 2.636 40 0 EFABLO C[C@@H](CNC(=O)NCCc1[nH+]ccn1C(F)F)Oc1ccccc1 ZINC000073056375 216345643 /nfs/dbraw/zinc/34/56/43/216345643.db2.gz GSNJGZIOWBRFGY-LBPRGKRZSA-N 1 2 338.358 2.587 40 0 EFABLO Cc1noc(C)c1CCC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000023774880 212395216 /nfs/dbraw/zinc/39/52/16/212395216.db2.gz NSAWRQLDIPOIRN-GOSISDBHSA-N 1 2 338.411 2.863 40 0 EFABLO Cc1noc(C)c1CCC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000023774878 212394609 /nfs/dbraw/zinc/39/46/09/212394609.db2.gz NSAWRQLDIPOIRN-SFHVURJKSA-N 1 2 338.411 2.863 40 0 EFABLO CCc1nc2ccccc2n1CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000023319714 212368059 /nfs/dbraw/zinc/36/80/59/212368059.db2.gz YVAVVISBSULDFR-UHFFFAOYSA-N 1 2 347.422 2.605 40 0 EFABLO Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000022835422 212327913 /nfs/dbraw/zinc/32/79/13/212327913.db2.gz NTBXFOJDIBEYEH-UHFFFAOYSA-N 1 2 342.414 2.896 40 0 EFABLO Cc1cc(NC(=O)[C@@H](C)CS(C)(=O)=O)ccc1Oc1cc[nH+]cc1 ZINC000193188086 240054263 /nfs/dbraw/zinc/05/42/63/240054263.db2.gz MULHEWINSNKMKQ-ZDUSSCGKSA-N 1 2 348.424 2.802 40 0 EFABLO O=C(NCCCc1ccccc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022526863 212304248 /nfs/dbraw/zinc/30/42/48/212304248.db2.gz ZJCOBEWUFWQRIQ-UHFFFAOYSA-N 1 2 338.451 2.881 40 0 EFABLO Cc1noc(C)c1CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022089143 212276773 /nfs/dbraw/zinc/27/67/73/212276773.db2.gz BXUYRMVMJQDPRL-UHFFFAOYSA-N 1 2 347.846 2.832 40 0 EFABLO O=C(CCc1nnc(-c2ccccc2)o1)NCc1cn2ccccc2[nH+]1 ZINC000022024448 212271352 /nfs/dbraw/zinc/27/13/52/212271352.db2.gz PLBYVBGLAWILLU-UHFFFAOYSA-N 1 2 347.378 2.633 40 0 EFABLO Cc1ccc(-c2noc(CNC(=S)Nc3cc[nH+]cc3)n2)cc1 ZINC000225818244 242050510 /nfs/dbraw/zinc/05/05/10/242050510.db2.gz ADWLYUVDAIEOMC-UHFFFAOYSA-N 1 2 325.397 2.927 40 0 EFABLO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2nccs2)CC1)c1ccccc1 ZINC000021335053 212220992 /nfs/dbraw/zinc/22/09/92/212220992.db2.gz MNRGVHHEFHLAAC-GJZGRUSLSA-N 1 2 344.484 2.531 40 0 EFABLO O=C(c1ccccc1F)N1CCC[N@@H+](Cc2cncc(F)c2)CC1 ZINC000241776891 243001676 /nfs/dbraw/zinc/00/16/76/243001676.db2.gz RTJARXKJLPABOG-UHFFFAOYSA-N 1 2 331.366 2.708 40 0 EFABLO O=C(c1ccccc1F)N1CCC[N@H+](Cc2cncc(F)c2)CC1 ZINC000241776891 243001683 /nfs/dbraw/zinc/00/16/83/243001683.db2.gz RTJARXKJLPABOG-UHFFFAOYSA-N 1 2 331.366 2.708 40 0 EFABLO COC(=O)c1cncnc1NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000241897360 243005167 /nfs/dbraw/zinc/00/51/67/243005167.db2.gz TYBKKVOIDMJBFJ-UHFFFAOYSA-N 1 2 341.415 2.651 40 0 EFABLO O=c1c(O)coc(CO)c1[C@H](Nc1cccc[nH+]1)c1ccc(F)cc1 ZINC000020528636 212143325 /nfs/dbraw/zinc/14/33/25/212143325.db2.gz WASFSLYAOXTSBD-QGZVFWFLSA-N 1 2 342.326 2.573 40 0 EFABLO COc1ccc(NC(=O)C[NH+]2CCC(c3nccs3)CC2)cc1 ZINC000253423073 243961375 /nfs/dbraw/zinc/96/13/75/243961375.db2.gz VMRYLNULACPUHY-UHFFFAOYSA-N 1 2 331.441 2.970 40 0 EFABLO Cc1ccsc1C[N@H+]1CCn2cc(CC(=O)NC(C)C)nc2[C@@H]1C ZINC000253598416 244030877 /nfs/dbraw/zinc/03/08/77/244030877.db2.gz AYTLPVKQZOJNHA-AWEZNQCLSA-N 1 2 346.500 2.897 40 0 EFABLO Cc1ccsc1C[N@@H+]1CCn2cc(CC(=O)NC(C)C)nc2[C@@H]1C ZINC000253598416 244030881 /nfs/dbraw/zinc/03/08/81/244030881.db2.gz AYTLPVKQZOJNHA-AWEZNQCLSA-N 1 2 346.500 2.897 40 0 EFABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CN(c3ncccn3)CCO2)nc1 ZINC000257207311 244140653 /nfs/dbraw/zinc/14/06/53/244140653.db2.gz BHEQLUJUJHUBMC-QGZVFWFLSA-N 1 2 348.410 2.897 40 0 EFABLO CNc1cccc(CC[C@H]2CCCCN2C(=O)c2cnccn2)[nH+]1 ZINC000257213257 244156348 /nfs/dbraw/zinc/15/63/48/244156348.db2.gz CGUOVRKEPVPKTC-OAHLLOKOSA-N 1 2 325.416 2.541 40 0 EFABLO C[N@@H+]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000257215253 244163977 /nfs/dbraw/zinc/16/39/77/244163977.db2.gz CPIAWCAOAUYBIT-IBGZPJMESA-N 1 2 344.480 2.579 40 0 EFABLO C[N@H+]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000257215253 244163984 /nfs/dbraw/zinc/16/39/84/244163984.db2.gz CPIAWCAOAUYBIT-IBGZPJMESA-N 1 2 344.480 2.579 40 0 EFABLO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cncnc2)[nH+]1 ZINC000257225314 244198277 /nfs/dbraw/zinc/19/82/77/244198277.db2.gz FFSFVISWAFAZRP-KRWDZBQOSA-N 1 2 339.443 2.565 40 0 EFABLO Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1cn(C)c[nH+]1 ZINC000257231292 244213675 /nfs/dbraw/zinc/21/36/75/244213675.db2.gz GGBARIGFVOWAMJ-UHFFFAOYSA-N 1 2 330.388 2.921 40 0 EFABLO O=C(CCn1ncc2ccccc21)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257221041 244185001 /nfs/dbraw/zinc/18/50/01/244185001.db2.gz DNHAFKBFRVOHNT-KRWDZBQOSA-N 1 2 349.438 2.607 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)[nH+]1 ZINC000257242216 244248864 /nfs/dbraw/zinc/24/88/64/244248864.db2.gz IBOCCWIWVOJGAO-CYBMUJFWSA-N 1 2 327.384 2.509 40 0 EFABLO COc1ccccc1[C@@H]1C[N@H+](Cc2cncs2)CCN1C(C)=O ZINC000257248450 244263190 /nfs/dbraw/zinc/26/31/90/244263190.db2.gz JDSVRTFBDQLBBD-INIZCTEOSA-N 1 2 331.441 2.557 40 0 EFABLO COc1ccccc1[C@@H]1C[N@@H+](Cc2cncs2)CCN1C(C)=O ZINC000257248450 244263197 /nfs/dbraw/zinc/26/31/97/244263197.db2.gz JDSVRTFBDQLBBD-INIZCTEOSA-N 1 2 331.441 2.557 40 0 EFABLO Cn1ccnc1-c1nccnc1[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC000257249724 244266911 /nfs/dbraw/zinc/26/69/11/244266911.db2.gz JJNBUNUXFMEGJZ-ZDUSSCGKSA-N 1 2 326.429 2.671 40 0 EFABLO Cn1ccnc1-c1nccnc1[C@@H]1CCC[N@H+]1Cc1cscn1 ZINC000257249724 244266915 /nfs/dbraw/zinc/26/69/15/244266915.db2.gz JJNBUNUXFMEGJZ-ZDUSSCGKSA-N 1 2 326.429 2.671 40 0 EFABLO c1c[nH]c(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)n1 ZINC000257254976 244277488 /nfs/dbraw/zinc/27/74/88/244277488.db2.gz KFOXKAMENPZIPQ-HKUYNNGSSA-N 1 2 327.428 2.750 40 0 EFABLO c1c[nH]c(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)n1 ZINC000257254976 244277492 /nfs/dbraw/zinc/27/74/92/244277492.db2.gz KFOXKAMENPZIPQ-HKUYNNGSSA-N 1 2 327.428 2.750 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(S(=O)(=O)C3CCCCC3)C2)[nH+]1 ZINC000257273181 244382637 /nfs/dbraw/zinc/38/26/37/244382637.db2.gz NFOGXLJZVVSLIH-CQSZACIVSA-N 1 2 325.478 2.570 40 0 EFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@H]1c1ccnc(C)n1 ZINC000257272335 244384178 /nfs/dbraw/zinc/38/41/78/244384178.db2.gz NCARPOIYRXSPBS-INIZCTEOSA-N 1 2 335.411 2.647 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)[nH+]1 ZINC000257273687 244386029 /nfs/dbraw/zinc/38/60/29/244386029.db2.gz NHSOCSXGBMWUBK-ZDUSSCGKSA-N 1 2 329.448 2.769 40 0 EFABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cn[nH]c4)n3)C2)s1 ZINC000257273481 244386898 /nfs/dbraw/zinc/38/68/98/244386898.db2.gz NGTQNFHZCPIKON-QGZVFWFLSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(-c4cn[nH]c4)n3)C2)s1 ZINC000257273481 244386902 /nfs/dbraw/zinc/38/69/02/244386902.db2.gz NGTQNFHZCPIKON-QGZVFWFLSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1cccc(CS(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000019934343 212086403 /nfs/dbraw/zinc/08/64/03/212086403.db2.gz FZIGPQHMQCTPNU-UHFFFAOYSA-N 1 2 341.436 2.800 40 0 EFABLO COc1cc(C)ccc1OCCn1c[nH+]cc1-c1cn(C)nc1C ZINC000019719439 212057377 /nfs/dbraw/zinc/05/73/77/212057377.db2.gz OVXZKEXIPLOJQP-UHFFFAOYSA-N 1 2 326.400 2.988 40 0 EFABLO CCN1CCc2cc(-c3c[nH+]cn3CC(=O)NC(C)(C)C)ccc21 ZINC000019719383 212056699 /nfs/dbraw/zinc/05/66/99/212056699.db2.gz MMDLLDMBJRIWHH-UHFFFAOYSA-N 1 2 326.444 2.847 40 0 EFABLO Cc1ccccc1OC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000019657837 212054575 /nfs/dbraw/zinc/05/45/75/212054575.db2.gz BZRLWTLALKLMQY-UHFFFAOYSA-N 1 2 331.441 2.933 40 0 EFABLO CN(C)c1cc(CNC(=O)Nc2cnn(-c3ccccc3)c2)cc[nH+]1 ZINC000078043262 217013728 /nfs/dbraw/zinc/01/37/28/217013728.db2.gz VFNWUWFHQDYPQV-UHFFFAOYSA-N 1 2 336.399 2.655 40 0 EFABLO Fc1cccc(Cl)c1C[NH+]1CC(c2nc(-c3ncccn3)no2)C1 ZINC000049483178 214012878 /nfs/dbraw/zinc/01/28/78/214012878.db2.gz MMTVHOHRSHKOLN-UHFFFAOYSA-N 1 2 345.765 2.919 40 0 EFABLO C[C@H](C(=O)Nc1ccc(Cc2nnc3ccccn32)cc1)n1cc[nH+]c1 ZINC000078918192 217147620 /nfs/dbraw/zinc/14/76/20/217147620.db2.gz UZFZIVDDQONQGJ-CQSZACIVSA-N 1 2 346.394 2.716 40 0 EFABLO Cc1cnc(C[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)cn1 ZINC000078923021 217149042 /nfs/dbraw/zinc/14/90/42/217149042.db2.gz RGJVZQDKRRYAPT-UHFFFAOYSA-N 1 2 346.438 2.564 40 0 EFABLO CCOc1ncc(C(=O)NCCc2[nH+]ccn2C(F)F)cc1Cl ZINC000078999858 217170930 /nfs/dbraw/zinc/17/09/30/217170930.db2.gz PKONZTHANVGKKT-UHFFFAOYSA-N 1 2 344.749 2.698 40 0 EFABLO COC(=O)CCc1nc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)no1 ZINC000079097529 217191709 /nfs/dbraw/zinc/19/17/09/217191709.db2.gz YBLLXFNATCLWBI-LJQANCHMSA-N 1 2 343.427 2.729 40 0 EFABLO COC(=O)CCc1nc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)no1 ZINC000079097529 217191712 /nfs/dbraw/zinc/19/17/12/217191712.db2.gz YBLLXFNATCLWBI-LJQANCHMSA-N 1 2 343.427 2.729 40 0 EFABLO CCOC[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000079099869 217193201 /nfs/dbraw/zinc/19/32/01/217193201.db2.gz CRXHSXSIBQCFOW-DOMZBBRYSA-N 1 2 334.243 2.764 40 0 EFABLO CCOC[C@H](O)C[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000079099869 217193204 /nfs/dbraw/zinc/19/32/04/217193204.db2.gz CRXHSXSIBQCFOW-DOMZBBRYSA-N 1 2 334.243 2.764 40 0 EFABLO Cc1ccc2[nH+]c(CSCC(=O)N(C)c3nccs3)cn2c1 ZINC000079352590 217212867 /nfs/dbraw/zinc/21/28/67/217212867.db2.gz UGBFLSJADSIDCM-UHFFFAOYSA-N 1 2 332.454 2.995 40 0 EFABLO COc1ccc(CN(C)C(=O)C[N@H+](C)Cc2scnc2C)cc1 ZINC000079354210 217213177 /nfs/dbraw/zinc/21/31/77/217213177.db2.gz FDXKGDBGRPMQHR-UHFFFAOYSA-N 1 2 333.457 2.551 40 0 EFABLO COc1ccc(CN(C)C(=O)C[N@@H+](C)Cc2scnc2C)cc1 ZINC000079354210 217213181 /nfs/dbraw/zinc/21/31/81/217213181.db2.gz FDXKGDBGRPMQHR-UHFFFAOYSA-N 1 2 333.457 2.551 40 0 EFABLO CC(C)(C)OC(=O)N[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439328 217224440 /nfs/dbraw/zinc/22/44/40/217224440.db2.gz JQTFQIXIMFJILI-ZDUSSCGKSA-N 1 2 333.436 2.544 40 0 EFABLO CC(C)(C)OC(=O)N[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439328 217224443 /nfs/dbraw/zinc/22/44/43/217224443.db2.gz JQTFQIXIMFJILI-ZDUSSCGKSA-N 1 2 333.436 2.544 40 0 EFABLO Cc1nnc(-c2ccc(C(=O)N[C@H]3CCC[C@@H]3n3cc[nH+]c3)cc2)o1 ZINC000081418755 217393217 /nfs/dbraw/zinc/39/32/17/217393217.db2.gz JPCDTVRCXBYDJH-HOTGVXAUSA-N 1 2 337.383 2.765 40 0 EFABLO O=C(C[NH+]1CCC(O)(c2cccnc2)CC1)Nc1ccccc1Cl ZINC000012113219 211292788 /nfs/dbraw/zinc/29/27/88/211292788.db2.gz LFEPMYQPFJIDLV-UHFFFAOYSA-N 1 2 345.830 2.657 40 0 EFABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC2CC2)CC1 ZINC000012116392 211296265 /nfs/dbraw/zinc/29/62/65/211296265.db2.gz FEKQOTGBLKCCRS-UHFFFAOYSA-N 1 2 326.444 2.799 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)NC2CCCC2)CC1 ZINC000012116297 211296314 /nfs/dbraw/zinc/29/63/14/211296314.db2.gz CSKSXUMQNGVFOH-UHFFFAOYSA-N 1 2 326.444 2.849 40 0 EFABLO CCc1[nH+]c2cc(NC(=O)c3cnc(SC)nc3)ccc2n1C ZINC000012116908 211295645 /nfs/dbraw/zinc/29/56/45/211295645.db2.gz ZHOHDZHOSJWOLE-UHFFFAOYSA-N 1 2 327.413 2.900 40 0 EFABLO CCN(CC)C(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(OC)c1OC ZINC000012114964 211294558 /nfs/dbraw/zinc/29/45/58/211294558.db2.gz ISPAITOVOIPMCR-OAHLLOKOSA-N 1 2 346.431 2.578 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccccn1)c1ccc(F)c(F)c1 ZINC000012114996 211294365 /nfs/dbraw/zinc/29/43/65/211294365.db2.gz ASCCNUDUFGVUNH-OAHLLOKOSA-N 1 2 328.322 2.613 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1cccnc1)c1ccc(F)c(F)c1 ZINC000012114989 211293918 /nfs/dbraw/zinc/29/39/18/211293918.db2.gz SAVOVRVIRGYNKB-HNNXBMFYSA-N 1 2 328.322 2.613 40 0 EFABLO CC[N@H+](CCCNC(=O)c1cnn(-c2ccccc2)n1)c1ccccc1 ZINC000009920129 211133662 /nfs/dbraw/zinc/13/36/62/211133662.db2.gz UKZRVMWKADQBMJ-UHFFFAOYSA-N 1 2 349.438 2.914 40 0 EFABLO CC[N@@H+](CCCNC(=O)c1cnn(-c2ccccc2)n1)c1ccccc1 ZINC000009920129 211133667 /nfs/dbraw/zinc/13/36/67/211133667.db2.gz UKZRVMWKADQBMJ-UHFFFAOYSA-N 1 2 349.438 2.914 40 0 EFABLO COc1ccccc1CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000009606202 211107648 /nfs/dbraw/zinc/10/76/48/211107648.db2.gz ZFTVLHGSKFUOHB-LJQANCHMSA-N 1 2 335.407 2.877 40 0 EFABLO Fc1cccc(N2CCCC2)c1C[NH+]1CCN(Cc2ccon2)CC1 ZINC000093561191 218231980 /nfs/dbraw/zinc/23/19/80/218231980.db2.gz QIPFXJBEGWPSNR-UHFFFAOYSA-N 1 2 344.434 2.732 40 0 EFABLO O=C(OCc1ccc(-n2cc[nH+]c2)nc1)c1ccnn1C1CCCC1 ZINC000095423539 218365899 /nfs/dbraw/zinc/36/58/99/218365899.db2.gz MQHGFJDPOLOBQG-UHFFFAOYSA-N 1 2 337.383 2.936 40 0 EFABLO CC(=O)c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)nc1C ZINC000095448355 218392036 /nfs/dbraw/zinc/39/20/36/218392036.db2.gz YXKDQYQYZFWORX-UHFFFAOYSA-N 1 2 334.379 2.708 40 0 EFABLO Cc1ccc(C(=O)N2C[C@@H](Nc3cccc[nH+]3)[C@H]3OCCC[C@H]3C2)o1 ZINC000096040695 218523465 /nfs/dbraw/zinc/52/34/65/218523465.db2.gz NXZCZPUJTKVFBF-DAYGRLMNSA-N 1 2 341.411 2.715 40 0 EFABLO CNc1nc(N2CCC(OCC(C)C)CC2)[nH+]cc1Br ZINC000131698217 533081455 /nfs/dbraw/zinc/08/14/55/533081455.db2.gz WUHQPRJQAZGIFR-UHFFFAOYSA-N 1 2 343.269 2.922 40 0 EFABLO CNc1nc(NCCCc2c(C)noc2C)[nH+]cc1Br ZINC000133200416 533083206 /nfs/dbraw/zinc/08/32/06/533083206.db2.gz WLXOUFUWNCRMBQ-UHFFFAOYSA-N 1 2 340.225 2.930 40 0 EFABLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000097378520 219020412 /nfs/dbraw/zinc/02/04/12/219020412.db2.gz WXFLMSCCXWUDGC-CQSZACIVSA-N 1 2 330.453 2.902 40 0 EFABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N(C)C)[nH+]c2)cc1 ZINC000072212606 257690308 /nfs/dbraw/zinc/69/03/08/257690308.db2.gz RKGASUFJCWSJCW-KRWDZBQOSA-N 1 2 345.468 2.982 40 0 EFABLO COc1csc(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)c1 ZINC000096446283 257834281 /nfs/dbraw/zinc/83/42/81/257834281.db2.gz BITBOGACDGZDKE-UHFFFAOYSA-N 1 2 333.335 2.788 40 0 EFABLO CS(=O)(=O)C[C@@H]([NH2+]Cc1cc(F)c(F)cc1F)c1ccccc1 ZINC000154926959 533365246 /nfs/dbraw/zinc/36/52/46/533365246.db2.gz GFJZAEXTBPVLBD-MRXNPFEDSA-N 1 2 343.370 2.979 40 0 EFABLO CCOc1ccc(NC(=O)[C@H](C)N2CCn3c(C)c(C)[nH+]c3C2)cc1 ZINC000376483945 151722206 /nfs/dbraw/zinc/72/22/06/151722206.db2.gz KGDHPZKMSLNOEX-HNNXBMFYSA-N 1 2 342.443 2.741 40 0 EFABLO Cc1ccc([C@@H](C)NC(=O)N2CC[NH+](Cc3ccccn3)CC2)o1 ZINC000159064508 225139244 /nfs/dbraw/zinc/13/92/44/225139244.db2.gz MWNCWYPFXJSJDV-OAHLLOKOSA-N 1 2 328.416 2.571 40 0 EFABLO C[C@@H]1CCC[N@@H+]([C@@H](c2nnnn2Cc2ccccc2)c2cccnc2)C1 ZINC000198708465 287359446 /nfs/dbraw/zinc/35/94/46/287359446.db2.gz AUVFDGPODCUOET-VQIMIIECSA-N 1 2 348.454 2.938 40 0 EFABLO C[C@@H]1CCC[N@H+]([C@@H](c2nnnn2Cc2ccccc2)c2cccnc2)C1 ZINC000198708465 287359448 /nfs/dbraw/zinc/35/94/48/287359448.db2.gz AUVFDGPODCUOET-VQIMIIECSA-N 1 2 348.454 2.938 40 0 EFABLO C[N@H+](Cc1cnccn1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000096486768 544558703 /nfs/dbraw/zinc/55/87/03/544558703.db2.gz CVCWHXPPKXAZEQ-HNNXBMFYSA-N 1 2 334.782 2.506 40 0 EFABLO C[N@@H+](Cc1cnccn1)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000096486768 544558704 /nfs/dbraw/zinc/55/87/04/544558704.db2.gz CVCWHXPPKXAZEQ-HNNXBMFYSA-N 1 2 334.782 2.506 40 0 EFABLO CC(C)c1[nH+]c2c(n1C)CCN([C@H]1CCc3ccccc3NC1=O)C2 ZINC000192012205 278075767 /nfs/dbraw/zinc/07/57/67/278075767.db2.gz YSFPHKIEPMZCCA-SFHVURJKSA-N 1 2 338.455 2.855 40 0 EFABLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@@H](c2ccccc2)CO1 ZINC000096433379 288025990 /nfs/dbraw/zinc/02/59/90/288025990.db2.gz PFUDVIIQIYTGNE-CRAIPNDOSA-N 1 2 348.406 2.870 40 0 EFABLO CCC[C@@]12CCCN1C(=O)N(C1CCN(c3cccc[nH+]3)CC1)C2=O ZINC000253428764 278916764 /nfs/dbraw/zinc/91/67/64/278916764.db2.gz DWOBSRLKOZESSY-IBGZPJMESA-N 1 2 342.443 2.647 40 0 EFABLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000096487294 279075151 /nfs/dbraw/zinc/07/51/51/279075151.db2.gz VNMKKBILELFTHK-HUUCEWRRSA-N 1 2 335.354 2.745 40 0 EFABLO Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000096487294 279075153 /nfs/dbraw/zinc/07/51/53/279075153.db2.gz VNMKKBILELFTHK-HUUCEWRRSA-N 1 2 335.354 2.745 40 0 EFABLO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@H]1CSCCS1 ZINC000242191336 288727502 /nfs/dbraw/zinc/72/75/02/288727502.db2.gz XESVLSDXBCTGDD-QWHCGFSZSA-N 1 2 325.503 2.805 40 0 EFABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC000257325923 289028084 /nfs/dbraw/zinc/02/80/84/289028084.db2.gz WVAQBMKWAGCNJE-HXUWFJFHSA-N 1 2 349.438 2.537 40 0 EFABLO CN(C)C(=O)[C@]1(c2cnccn2)CCC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC000257325923 289028086 /nfs/dbraw/zinc/02/80/86/289028086.db2.gz WVAQBMKWAGCNJE-HXUWFJFHSA-N 1 2 349.438 2.537 40 0 EFABLO COC[C@H]1CN(C(=O)c2ccsc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096068668 293231172 /nfs/dbraw/zinc/23/11/72/293231172.db2.gz NEOGODROZWOZJA-CQSZACIVSA-N 1 2 331.441 2.741 40 0 EFABLO Cc1cnn([C@H]2CCN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)C2)c1 ZINC000290672999 294153057 /nfs/dbraw/zinc/15/30/57/294153057.db2.gz IERMZXFJUXRAMJ-ZBFHGGJFSA-N 1 2 326.448 2.669 40 0 EFABLO Cc1cnn([C@H]2CCN(c3cc(N4CCC[C@@H](C)C4)nc[nH+]3)C2)c1 ZINC000290672999 294153058 /nfs/dbraw/zinc/15/30/58/294153058.db2.gz IERMZXFJUXRAMJ-ZBFHGGJFSA-N 1 2 326.448 2.669 40 0 EFABLO Cc1ccccc1C1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCCC1 ZINC000292081375 294573660 /nfs/dbraw/zinc/57/36/60/294573660.db2.gz UFSBHOUDUXGUFK-UHFFFAOYSA-N 1 2 342.483 2.788 40 0 EFABLO Cc1ccc2[nH]c([C@@H]3CCCN(c4ccc5nncn5n4)C3)[nH+]c2c1 ZINC000295050322 295262017 /nfs/dbraw/zinc/26/20/17/295262017.db2.gz OORZODYCCHXEHR-CYBMUJFWSA-N 1 2 333.399 2.693 40 0 EFABLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000331420094 311375985 /nfs/dbraw/zinc/37/59/85/311375985.db2.gz CXSBQEVZBILTNS-CQSZACIVSA-N 1 2 328.416 2.746 40 0 EFABLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC=C(c2ccco2)C1 ZINC000331420094 311375988 /nfs/dbraw/zinc/37/59/88/311375988.db2.gz CXSBQEVZBILTNS-CQSZACIVSA-N 1 2 328.416 2.746 40 0 EFABLO COC(=O)c1ccc(F)c(CSc2[nH+]cnc3c2cnn3C)c1 ZINC000182690974 323295856 /nfs/dbraw/zinc/29/58/56/323295856.db2.gz JFZNCDLMCLRQMU-UHFFFAOYSA-N 1 2 332.360 2.581 40 0 EFABLO NC(=O)[C@H]1CCCN(c2ccc(NC/C=C/c3ccco3)c[nH+]2)C1 ZINC000095447427 473205861 /nfs/dbraw/zinc/20/58/61/473205861.db2.gz HMQPLOFAVTWJJW-DUSRYLSLSA-N 1 2 326.400 2.502 40 0 EFABLO Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)no1 ZINC000096040430 473262114 /nfs/dbraw/zinc/26/21/14/473262114.db2.gz VVJOKAMLIOQIIX-IEBWSBKVSA-N 1 2 343.427 2.828 40 0 EFABLO Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)no1 ZINC000096040430 473262119 /nfs/dbraw/zinc/26/21/19/473262119.db2.gz VVJOKAMLIOQIIX-IEBWSBKVSA-N 1 2 343.427 2.828 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC000096041789 473262842 /nfs/dbraw/zinc/26/28/42/473262842.db2.gz YIKVGDIPJMIVJP-XUVXKRRUSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC000096041789 473262847 /nfs/dbraw/zinc/26/28/47/473262847.db2.gz YIKVGDIPJMIVJP-XUVXKRRUSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096042156 473263141 /nfs/dbraw/zinc/26/31/41/473263141.db2.gz GGFJBWOBXLKPSS-GBESFXJTSA-N 1 2 328.412 2.932 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096042156 473263149 /nfs/dbraw/zinc/26/31/49/473263149.db2.gz GGFJBWOBXLKPSS-GBESFXJTSA-N 1 2 328.412 2.932 40 0 EFABLO Cc1nc(C[N@@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096042460 473263684 /nfs/dbraw/zinc/26/36/84/473263684.db2.gz GAUIUFVWOIZYEH-KURKYZTESA-N 1 2 345.468 2.795 40 0 EFABLO Cc1nc(C[N@H+]2C[C@@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cs1 ZINC000096042460 473263687 /nfs/dbraw/zinc/26/36/87/473263687.db2.gz GAUIUFVWOIZYEH-KURKYZTESA-N 1 2 345.468 2.795 40 0 EFABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3[C@H](COCC3CC3)C2)c(C)[nH]1 ZINC000096044946 473266952 /nfs/dbraw/zinc/26/69/52/473266952.db2.gz IUCXRUHAYLAGAK-HNNXBMFYSA-N 1 2 342.443 2.531 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)o1 ZINC000096049116 473273277 /nfs/dbraw/zinc/27/32/77/473273277.db2.gz BPSFJRFPRYMFHP-IBGZPJMESA-N 1 2 344.411 2.688 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)o1 ZINC000096049116 473273282 /nfs/dbraw/zinc/27/32/82/473273282.db2.gz BPSFJRFPRYMFHP-IBGZPJMESA-N 1 2 344.411 2.688 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](CNC(=O)c4ccco4)CC[C@@H]32)o1 ZINC000096055383 473279809 /nfs/dbraw/zinc/27/98/09/473279809.db2.gz SJHIGZIRBYYGOT-UWWQBHOKSA-N 1 2 344.411 2.590 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@@H](CNC(=O)c4ccco4)CC[C@@H]32)o1 ZINC000096055383 473279814 /nfs/dbraw/zinc/27/98/14/473279814.db2.gz SJHIGZIRBYYGOT-UWWQBHOKSA-N 1 2 344.411 2.590 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)o1 ZINC000096058059 473281074 /nfs/dbraw/zinc/28/10/74/473281074.db2.gz BLWGEUGBPBATCS-GVDBMIGSSA-N 1 2 332.375 2.933 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)o1 ZINC000096058059 473281082 /nfs/dbraw/zinc/28/10/82/473281082.db2.gz BLWGEUGBPBATCS-GVDBMIGSSA-N 1 2 332.375 2.933 40 0 EFABLO CCOC[C@H]1C[N@H+](Cc2ccncc2)Cc2ncn(CC3CC3)c21 ZINC000096060327 473282689 /nfs/dbraw/zinc/28/26/89/473282689.db2.gz MHXZYIYEWWYKBX-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@H]1C[N@@H+](Cc2ccncc2)Cc2ncn(CC3CC3)c21 ZINC000096060327 473282695 /nfs/dbraw/zinc/28/26/95/473282695.db2.gz MHXZYIYEWWYKBX-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCC3CC3)C2)s1 ZINC000096060710 473285262 /nfs/dbraw/zinc/28/52/62/473285262.db2.gz VYWGQPFBHCRIHX-AWEZNQCLSA-N 1 2 332.473 2.711 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3nnn(C)c3[C@H](COCC3CC3)C2)s1 ZINC000096060710 473285268 /nfs/dbraw/zinc/28/52/68/473285268.db2.gz VYWGQPFBHCRIHX-AWEZNQCLSA-N 1 2 332.473 2.711 40 0 EFABLO CCOC[C@@H]1C[N@H+](Cc2cccnc2)Cc2nn(CC3CC3)cc21 ZINC000096060486 473284009 /nfs/dbraw/zinc/28/40/09/473284009.db2.gz DNXZALSSXVQHMN-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@@H]1C[N@@H+](Cc2cccnc2)Cc2nn(CC3CC3)cc21 ZINC000096060486 473284016 /nfs/dbraw/zinc/28/40/16/473284016.db2.gz DNXZALSSXVQHMN-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@H]1C[N@H+](Cc2cccnc2)Cc2nn(CC3CC3)cc21 ZINC000096060487 473284447 /nfs/dbraw/zinc/28/44/47/473284447.db2.gz DNXZALSSXVQHMN-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@H]1C[N@@H+](Cc2cccnc2)Cc2nn(CC3CC3)cc21 ZINC000096060487 473284457 /nfs/dbraw/zinc/28/44/57/473284457.db2.gz DNXZALSSXVQHMN-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO c1csc(C[N@@H+]2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)n1 ZINC000096062552 473288003 /nfs/dbraw/zinc/28/80/03/473288003.db2.gz GPNVYSDQBALFJZ-YNEHKIRRSA-N 1 2 332.429 2.756 40 0 EFABLO c1csc(C[N@H+]2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)n1 ZINC000096062552 473288008 /nfs/dbraw/zinc/28/80/08/473288008.db2.gz GPNVYSDQBALFJZ-YNEHKIRRSA-N 1 2 332.429 2.756 40 0 EFABLO Cc1nc(NCc2cncc3c2CCN(C(=O)c2ccco2)C3)cc[nH+]1 ZINC000096067465 473288502 /nfs/dbraw/zinc/28/85/02/473288502.db2.gz QGZIMKWXHPFWKS-UHFFFAOYSA-N 1 2 349.394 2.584 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@@H+]2Cc2ccc[nH]2)C1 ZINC000096080524 473291063 /nfs/dbraw/zinc/29/10/63/473291063.db2.gz QNTPPMVZQZGQPB-PBHICJAKSA-N 1 2 329.831 2.553 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@H+]2Cc2ccc[nH]2)C1 ZINC000096080524 473291068 /nfs/dbraw/zinc/29/10/68/473291068.db2.gz QNTPPMVZQZGQPB-PBHICJAKSA-N 1 2 329.831 2.553 40 0 EFABLO Cn1cc(-c2cc(C[N@@H+]3CCO[C@@H](c4ccsc4)C3)on2)cn1 ZINC000185023058 473303710 /nfs/dbraw/zinc/30/37/10/473303710.db2.gz ZHTQVUNJJIZPGP-MRXNPFEDSA-N 1 2 330.413 2.710 40 0 EFABLO Cn1cc(-c2cc(C[N@H+]3CCO[C@@H](c4ccsc4)C3)on2)cn1 ZINC000185023058 473303714 /nfs/dbraw/zinc/30/37/14/473303714.db2.gz ZHTQVUNJJIZPGP-MRXNPFEDSA-N 1 2 330.413 2.710 40 0 EFABLO O=C(NCc1[nH+]ccn1CCc1ccccc1)c1cc(C2CC2)on1 ZINC000083011282 473310462 /nfs/dbraw/zinc/31/04/62/473310462.db2.gz NLBNCBVMPGPOIV-UHFFFAOYSA-N 1 2 336.395 2.921 40 0 EFABLO c1csc(C[N@@H+]2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)n1 ZINC000096160114 473320102 /nfs/dbraw/zinc/32/01/02/473320102.db2.gz FHMBCYPACBFNCJ-QAPCUYQASA-N 1 2 345.468 2.988 40 0 EFABLO c1csc(C[N@H+]2CCO[C@@]3(CCC[C@@H]3COc3ccccn3)C2)n1 ZINC000096160114 473320109 /nfs/dbraw/zinc/32/01/09/473320109.db2.gz FHMBCYPACBFNCJ-QAPCUYQASA-N 1 2 345.468 2.988 40 0 EFABLO Cn1c[nH+]c2c1[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)CC2 ZINC000096147161 473315316 /nfs/dbraw/zinc/31/53/16/473315316.db2.gz CUUKGCBZFFCISP-IBGZPJMESA-N 1 2 338.455 2.578 40 0 EFABLO C[N@H+](Cc1cccnc1)[C@@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096185996 473327546 /nfs/dbraw/zinc/32/75/46/473327546.db2.gz XYTCOIFIRWIYLT-QRVBRYPASA-N 1 2 327.428 2.538 40 0 EFABLO C[N@@H+](Cc1cccnc1)[C@@H]1CN(Cc2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096185996 473327552 /nfs/dbraw/zinc/32/75/52/473327552.db2.gz XYTCOIFIRWIYLT-QRVBRYPASA-N 1 2 327.428 2.538 40 0 EFABLO O=C(Cc1ccsc1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187920 473329234 /nfs/dbraw/zinc/32/92/34/473329234.db2.gz PWMRRLQGIWIFTR-INIZCTEOSA-N 1 2 345.468 2.572 40 0 EFABLO c1cn2c(n1)C[N@H+](Cc1ccncc1)C[C@H](COCc1cccnc1)C2 ZINC000096188068 473331021 /nfs/dbraw/zinc/33/10/21/473331021.db2.gz RLBNJHKHEGNZRH-IBGZPJMESA-N 1 2 349.438 2.522 40 0 EFABLO c1cn2c(n1)C[N@@H+](Cc1ccncc1)C[C@H](COCc1cccnc1)C2 ZINC000096188068 473331025 /nfs/dbraw/zinc/33/10/25/473331025.db2.gz RLBNJHKHEGNZRH-IBGZPJMESA-N 1 2 349.438 2.522 40 0 EFABLO COC[C@@H]1C[N@H+](Cc2ccco2)Cc2cn(CC3CCOCC3)nc21 ZINC000096198191 473334484 /nfs/dbraw/zinc/33/44/84/473334484.db2.gz TUQBVSWDZMPBCR-KRWDZBQOSA-N 1 2 345.443 2.649 40 0 EFABLO COC[C@@H]1C[N@@H+](Cc2ccco2)Cc2cn(CC3CCOCC3)nc21 ZINC000096198191 473334489 /nfs/dbraw/zinc/33/44/89/473334489.db2.gz TUQBVSWDZMPBCR-KRWDZBQOSA-N 1 2 345.443 2.649 40 0 EFABLO CCOC[C@H]1c2c(cnn2CC)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197818 473334509 /nfs/dbraw/zinc/33/45/09/473334509.db2.gz HWXNDRUCQFAWLL-INIZCTEOSA-N 1 2 343.427 2.768 40 0 EFABLO CCOC[C@H]1c2c(cnn2CC)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197818 473334513 /nfs/dbraw/zinc/33/45/13/473334513.db2.gz HWXNDRUCQFAWLL-INIZCTEOSA-N 1 2 343.427 2.768 40 0 EFABLO CCn1ncc2c1[C@@H](COCC1CC1)[N@H+](Cc1ccccn1)CC2 ZINC000096197825 473334120 /nfs/dbraw/zinc/33/41/20/473334120.db2.gz PQBNUTWSAYKBIJ-GOSISDBHSA-N 1 2 326.444 2.824 40 0 EFABLO CCn1ncc2c1[C@@H](COCC1CC1)[N@@H+](Cc1ccccn1)CC2 ZINC000096197825 473334125 /nfs/dbraw/zinc/33/41/25/473334125.db2.gz PQBNUTWSAYKBIJ-GOSISDBHSA-N 1 2 326.444 2.824 40 0 EFABLO Cc1noc(C)c1CN1CCn2cc(CNc3cccc[nH+]3)nc2C1 ZINC000096197502 473334245 /nfs/dbraw/zinc/33/42/45/473334245.db2.gz QIMODNJJVXNSNZ-UHFFFAOYSA-N 1 2 338.415 2.511 40 0 EFABLO c1csc(CN2CCn3cc(CNc4cccc[nH+]4)nc3C2)c1 ZINC000096197499 473334625 /nfs/dbraw/zinc/33/46/25/473334625.db2.gz KCIVRYSOFRLYHU-UHFFFAOYSA-N 1 2 325.441 2.968 40 0 EFABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)CCc2ccccc2Cl)C1 ZINC000096209132 473344728 /nfs/dbraw/zinc/34/47/28/473344728.db2.gz JLBAGJGNCVSQDY-AWEZNQCLSA-N 1 2 347.846 2.774 40 0 EFABLO C[C@H]1c2ncc(COCc3ccccn3)n2CC[N@@H+]1C1CCOCC1 ZINC000096218208 473352453 /nfs/dbraw/zinc/35/24/53/473352453.db2.gz LBWHSXQRPDEAHY-HNNXBMFYSA-N 1 2 342.443 2.551 40 0 EFABLO C[C@H]1c2ncc(COCc3ccccn3)n2CC[N@H+]1C1CCOCC1 ZINC000096218208 473352460 /nfs/dbraw/zinc/35/24/60/473352460.db2.gz LBWHSXQRPDEAHY-HNNXBMFYSA-N 1 2 342.443 2.551 40 0 EFABLO O=C(NC1CCCC1)N1CCC2(C[C@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221383 473353512 /nfs/dbraw/zinc/35/35/12/473353512.db2.gz BQBSUZNESQAEKI-INIZCTEOSA-N 1 2 344.459 2.769 40 0 EFABLO CCCc1ccc(C(=O)N2Cc3c(C[NH+](C)C)nn(C)c3C2)cc1 ZINC000096259080 473367792 /nfs/dbraw/zinc/36/77/92/473367792.db2.gz ZIZQJWLYKXNCRJ-UHFFFAOYSA-N 1 2 326.444 2.590 40 0 EFABLO Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000096405479 473382780 /nfs/dbraw/zinc/38/27/80/473382780.db2.gz HOBKVEVZTHEEEL-HSALFYBXSA-N 1 2 342.483 2.812 40 0 EFABLO CCN(C(=O)NCc1ccc[nH+]c1N(C)C)[C@@H](C)c1cccnc1 ZINC000096406813 473384338 /nfs/dbraw/zinc/38/43/38/473384338.db2.gz APGNGNHTVRMLMR-AWEZNQCLSA-N 1 2 327.432 2.835 40 0 EFABLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000096405555 473382580 /nfs/dbraw/zinc/38/25/80/473382580.db2.gz BAKFDIYQFKMUSF-QZTJIDSGSA-N 1 2 347.422 2.870 40 0 EFABLO CS(=O)(=O)CC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000225489190 474217299 /nfs/dbraw/zinc/21/72/99/474217299.db2.gz RLRGBNMFARHYHC-UHFFFAOYSA-N 1 2 346.290 2.673 40 0 EFABLO Cc1noc([C@@H](NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C(C)C)n1 ZINC000096412402 473391669 /nfs/dbraw/zinc/39/16/69/473391669.db2.gz UACZFWDHJRVLIU-GUYCJALGSA-N 1 2 342.443 2.638 40 0 EFABLO Cc1noc([C@@H](NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C(C)C)n1 ZINC000096412402 473391674 /nfs/dbraw/zinc/39/16/74/473391674.db2.gz UACZFWDHJRVLIU-GUYCJALGSA-N 1 2 342.443 2.638 40 0 EFABLO CC[N@H+](CCO)[C@@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000001665866 471395532 /nfs/dbraw/zinc/39/55/32/471395532.db2.gz VEPYGOOHIRUATC-LJQANCHMSA-N 1 2 343.423 2.942 40 0 EFABLO CC[N@@H+](CCO)[C@@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000001665866 471395538 /nfs/dbraw/zinc/39/55/38/471395538.db2.gz VEPYGOOHIRUATC-LJQANCHMSA-N 1 2 343.423 2.942 40 0 EFABLO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000007390787 471611026 /nfs/dbraw/zinc/61/10/26/471611026.db2.gz IGOGLZYRYJODDM-HNNXBMFYSA-N 1 2 331.460 2.703 40 0 EFABLO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000007390787 471611030 /nfs/dbraw/zinc/61/10/30/471611030.db2.gz IGOGLZYRYJODDM-HNNXBMFYSA-N 1 2 331.460 2.703 40 0 EFABLO Cc1ccc(NC(=O)C[N@@H+](C)[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000007490359 471618498 /nfs/dbraw/zinc/61/84/98/471618498.db2.gz ZLWYFMVBXFRLHG-BBWFWOEESA-N 1 2 345.487 2.758 40 0 EFABLO Cc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000007490359 471618504 /nfs/dbraw/zinc/61/85/04/471618504.db2.gz ZLWYFMVBXFRLHG-BBWFWOEESA-N 1 2 345.487 2.758 40 0 EFABLO C[N@H+](CC(=O)NC(C)(C)C)Cc1cc(Cl)cc2c1OCOC2 ZINC000007659551 471627942 /nfs/dbraw/zinc/62/79/42/471627942.db2.gz PSNPCZGZPRIESG-UHFFFAOYSA-N 1 2 326.824 2.553 40 0 EFABLO C[N@@H+](CC(=O)NC(C)(C)C)Cc1cc(Cl)cc2c1OCOC2 ZINC000007659551 471627948 /nfs/dbraw/zinc/62/79/48/471627948.db2.gz PSNPCZGZPRIESG-UHFFFAOYSA-N 1 2 326.824 2.553 40 0 EFABLO NC(=O)c1ccsc1NC(=O)C[N@H+](Cc1ccccc1F)C1CC1 ZINC000007858083 471644283 /nfs/dbraw/zinc/64/42/83/471644283.db2.gz VEIQUKAFMCRGDH-UHFFFAOYSA-N 1 2 347.415 2.589 40 0 EFABLO NC(=O)c1ccsc1NC(=O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000007858083 471644290 /nfs/dbraw/zinc/64/42/90/471644290.db2.gz VEIQUKAFMCRGDH-UHFFFAOYSA-N 1 2 347.415 2.589 40 0 EFABLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000008345338 471683738 /nfs/dbraw/zinc/68/37/38/471683738.db2.gz SRIVGZHREQECBQ-RBSFLKMASA-N 1 2 349.450 2.589 40 0 EFABLO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000008345338 471683743 /nfs/dbraw/zinc/68/37/43/471683743.db2.gz SRIVGZHREQECBQ-RBSFLKMASA-N 1 2 349.450 2.589 40 0 EFABLO Cc1cc(NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)no1 ZINC000008746612 471704101 /nfs/dbraw/zinc/70/41/01/471704101.db2.gz UZRUQRDXBDXFHB-CQSZACIVSA-N 1 2 329.335 2.767 40 0 EFABLO COc1ccc(C[N@@H+](Cc2cnn(C)c2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187200 471767988 /nfs/dbraw/zinc/76/79/88/471767988.db2.gz ZYBVJLTZWXSMCC-SFHVURJKSA-N 1 2 345.443 2.619 40 0 EFABLO COc1ccc(C[N@H+](Cc2cnn(C)c2)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187200 471767993 /nfs/dbraw/zinc/76/79/93/471767993.db2.gz ZYBVJLTZWXSMCC-SFHVURJKSA-N 1 2 345.443 2.619 40 0 EFABLO C[C@@H](NC(=O)C[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000012931949 471807366 /nfs/dbraw/zinc/80/73/66/471807366.db2.gz GAOGKHQEBYBRMC-BZUAXINKSA-N 1 2 330.472 2.852 40 0 EFABLO Cc1nn(C[C@@H](C)c2cc(N3CCOCC3)nc(C)[nH+]2)c(C)c1C ZINC000019718024 471984714 /nfs/dbraw/zinc/98/47/14/471984714.db2.gz UZDUMRIDUQASSV-GFCCVEGCSA-N 1 2 329.448 2.547 40 0 EFABLO Cc1ccccc1C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000023379268 472031246 /nfs/dbraw/zinc/03/12/46/472031246.db2.gz RDRMVRYZHOHNKA-UHFFFAOYSA-N 1 2 338.407 2.682 40 0 EFABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000024378628 472052998 /nfs/dbraw/zinc/05/29/98/472052998.db2.gz NKPUWBJISUMZBI-UHFFFAOYSA-N 1 2 346.377 2.727 40 0 EFABLO COCCN(Cc1ccco1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000025097204 472081129 /nfs/dbraw/zinc/08/11/29/472081129.db2.gz HWEXSTQPHJPLEK-UHFFFAOYSA-N 1 2 325.368 2.754 40 0 EFABLO COc1ccc(C[NH+]2CCN(C(=O)c3ccsc3)CC2)cc1OC ZINC000025203418 472085259 /nfs/dbraw/zinc/08/52/59/472085259.db2.gz KVYFYYLBMJVLLW-UHFFFAOYSA-N 1 2 346.452 2.723 40 0 EFABLO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000042532968 472142263 /nfs/dbraw/zinc/14/22/63/472142263.db2.gz IDECHGINUBAKFJ-GFCCVEGCSA-N 1 2 343.818 2.849 40 0 EFABLO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000042532966 472142868 /nfs/dbraw/zinc/14/28/68/472142868.db2.gz IDECHGINUBAKFJ-LBPRGKRZSA-N 1 2 343.818 2.849 40 0 EFABLO CC(C)(C)OC(=O)N1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000043220479 472210830 /nfs/dbraw/zinc/21/08/30/472210830.db2.gz RPTAFFVANGYTGC-HNNXBMFYSA-N 1 2 340.851 2.926 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+](C)Cc2ccc(Br)s2)on1 ZINC000044896552 472349368 /nfs/dbraw/zinc/34/93/68/472349368.db2.gz MEXKOXUZYAYDOF-UHFFFAOYSA-N 1 2 344.234 2.878 40 0 EFABLO Cc1cc(NC(=O)C[N@H+](C)Cc2ccc(Br)s2)on1 ZINC000044896552 472349373 /nfs/dbraw/zinc/34/93/73/472349373.db2.gz MEXKOXUZYAYDOF-UHFFFAOYSA-N 1 2 344.234 2.878 40 0 EFABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC(=O)Nc2ccccc21 ZINC000030940962 472355235 /nfs/dbraw/zinc/35/52/35/472355235.db2.gz UGUFZRZADHTHLO-UHFFFAOYSA-N 1 2 332.363 2.530 40 0 EFABLO C[C@@H](C(=O)Nc1ccc(OCC2CCOCC2)cc1)n1cc[nH+]c1 ZINC000076649991 472380959 /nfs/dbraw/zinc/38/09/59/472380959.db2.gz OABHGQSKUGBMOI-AWEZNQCLSA-N 1 2 329.400 2.888 40 0 EFABLO COc1cc(C=O)ccc1OCC[NH+]1CCN(c2ccccc2)CC1 ZINC000031978256 472406787 /nfs/dbraw/zinc/40/67/87/472406787.db2.gz GRUWUCBTAATQHI-UHFFFAOYSA-N 1 2 340.423 2.709 40 0 EFABLO Cc1cccc(Cl)c1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000097095232 472443869 /nfs/dbraw/zinc/44/38/69/472443869.db2.gz ZTJGDGNGETVXDA-CQSZACIVSA-N 1 2 337.851 2.977 40 0 EFABLO CCS[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000097096616 472444561 /nfs/dbraw/zinc/44/45/61/472444561.db2.gz ZWGUXDDNLDXXJQ-RDJZCZTQSA-N 1 2 348.516 2.583 40 0 EFABLO CCS[C@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000097096620 472445143 /nfs/dbraw/zinc/44/51/43/472445143.db2.gz ZWGUXDDNLDXXJQ-WBVHZDCISA-N 1 2 348.516 2.583 40 0 EFABLO O=C(OCc1ccn(-c2ccccc2)n1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000097098264 472445275 /nfs/dbraw/zinc/44/52/75/472445275.db2.gz CQEOAHSNFKRMFA-UHFFFAOYSA-N 1 2 345.362 2.810 40 0 EFABLO Cc1ccc(C(=O)CC[NH+]2CCN(C(=O)c3ccco3)CC2)cc1 ZINC000097099156 472445359 /nfs/dbraw/zinc/44/53/59/472445359.db2.gz MZXKNLBSSKAJSZ-UHFFFAOYSA-N 1 2 326.396 2.619 40 0 EFABLO NC(=O)C[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CCCC1 ZINC000032932788 472483120 /nfs/dbraw/zinc/48/31/20/472483120.db2.gz ZKYBCWKOYYZDBE-UHFFFAOYSA-N 1 2 344.242 2.662 40 0 EFABLO NC(=O)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C1CCCC1 ZINC000032932788 472483127 /nfs/dbraw/zinc/48/31/27/472483127.db2.gz ZKYBCWKOYYZDBE-UHFFFAOYSA-N 1 2 344.242 2.662 40 0 EFABLO O=C(c1cccc(-n2cc[nH+]c2)n1)N(C[C@H](O)c1ccccc1)C1CC1 ZINC000097238721 472488091 /nfs/dbraw/zinc/48/80/91/472488091.db2.gz IDUNIDMPFUPBSP-SFHVURJKSA-N 1 2 348.406 2.606 40 0 EFABLO Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H](O)c2ccco2)c1 ZINC000077446284 472528211 /nfs/dbraw/zinc/52/82/11/472528211.db2.gz WQXAMRVTCKLUPV-CQSZACIVSA-N 1 2 326.356 2.535 40 0 EFABLO Cc1nnc(C[N@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)n1C ZINC000077655454 472576211 /nfs/dbraw/zinc/57/62/11/472576211.db2.gz JWJQNFVQYNUEPD-UHFFFAOYSA-N 1 2 346.822 2.501 40 0 EFABLO Cc1nnc(C[N@@H+](C)CCc2nc(-c3cccc(Cl)c3)no2)n1C ZINC000077655454 472576218 /nfs/dbraw/zinc/57/62/18/472576218.db2.gz JWJQNFVQYNUEPD-UHFFFAOYSA-N 1 2 346.822 2.501 40 0 EFABLO O=C(NCCCCNc1cccc[nH+]1)C(=O)Nc1cccc(Cl)c1 ZINC000077836484 472628799 /nfs/dbraw/zinc/62/87/99/472628799.db2.gz BXXKBJHUOTVIHL-UHFFFAOYSA-N 1 2 346.818 2.682 40 0 EFABLO CNc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000072212485 472632763 /nfs/dbraw/zinc/63/27/63/472632763.db2.gz RWZRMJFXZVFSLL-MRXNPFEDSA-N 1 2 331.441 2.958 40 0 EFABLO Cc1nc(C)c(CNc2ccc[nH+]c2N2CCC(CO)CC2)s1 ZINC000091064911 472692195 /nfs/dbraw/zinc/69/21/95/472692195.db2.gz TYSGSBBQFFLGMY-UHFFFAOYSA-N 1 2 332.473 2.976 40 0 EFABLO Cc1nsc(N2CCC[N@H+](Cc3nc4c(cccc4F)[nH]3)CC2)n1 ZINC000072801052 472717291 /nfs/dbraw/zinc/71/72/91/472717291.db2.gz LXHZRKFVYYWPSP-UHFFFAOYSA-N 1 2 346.435 2.574 40 0 EFABLO Cc1nsc(N2CCC[N@@H+](Cc3nc4c(cccc4F)[nH]3)CC2)n1 ZINC000072801052 472717293 /nfs/dbraw/zinc/71/72/93/472717293.db2.gz LXHZRKFVYYWPSP-UHFFFAOYSA-N 1 2 346.435 2.574 40 0 EFABLO O=S(=O)(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1cccnc1 ZINC000078715154 472758491 /nfs/dbraw/zinc/75/84/91/472758491.db2.gz DXJMNTBRBDLCDP-UHFFFAOYSA-N 1 2 334.788 2.722 40 0 EFABLO O=C(C[N@H+]1CCC[C@@H](O)C1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000106744386 472884582 /nfs/dbraw/zinc/88/45/82/472884582.db2.gz FTKGHJJUQFAWHN-CRAIPNDOSA-N 1 2 348.443 2.550 40 0 EFABLO O=C(C[N@@H+]1CCC[C@@H](O)C1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000106744386 472884588 /nfs/dbraw/zinc/88/45/88/472884588.db2.gz FTKGHJJUQFAWHN-CRAIPNDOSA-N 1 2 348.443 2.550 40 0 EFABLO Cc1nc(C)c(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000049027646 472925998 /nfs/dbraw/zinc/92/59/98/472925998.db2.gz ZPKVYVLXCOLEPK-UHFFFAOYSA-N 1 2 335.498 2.708 40 0 EFABLO CCc1nc(C)c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)s1 ZINC000050315151 472989415 /nfs/dbraw/zinc/98/94/15/472989415.db2.gz XEVXPCUPJRKYCA-UHFFFAOYSA-N 1 2 330.457 2.808 40 0 EFABLO CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)Cc1cccc(O)c1 ZINC000075180224 473147241 /nfs/dbraw/zinc/14/72/41/473147241.db2.gz NXFAUUWUOBTXAT-UHFFFAOYSA-N 1 2 335.407 2.838 40 0 EFABLO CC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCO1 ZINC000123515888 473150197 /nfs/dbraw/zinc/15/01/97/473150197.db2.gz VRQLQLJIFAMMOD-DOTOQJQBSA-N 1 2 346.406 2.768 40 0 EFABLO CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2Cc2ccccc2)C[C@@H](C)O1 ZINC000075456857 473187610 /nfs/dbraw/zinc/18/76/10/473187610.db2.gz CJCSNUYCJQXUSO-NVXWUHKLSA-N 1 2 342.443 2.640 40 0 EFABLO C[C@@H]1SCCN(C(=O)NCc2[nH+]ccn2Cc2ccccc2)[C@H]1C ZINC000075456249 473187704 /nfs/dbraw/zinc/18/77/04/473187704.db2.gz VPWUYGJMQHMNFS-GJZGRUSLSA-N 1 2 344.484 2.967 40 0 EFABLO CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2Cc2ccccc2)C[C@H](C)O1 ZINC000075456855 473188097 /nfs/dbraw/zinc/18/80/97/473188097.db2.gz CJCSNUYCJQXUSO-DOTOQJQBSA-N 1 2 342.443 2.640 40 0 EFABLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2noc3c2CCCC3)CC1 ZINC000096424323 473403151 /nfs/dbraw/zinc/40/31/51/473403151.db2.gz UOKVWLSEQFIZHM-OAHLLOKOSA-N 1 2 326.444 2.827 40 0 EFABLO O=S(=O)(c1cccs1)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000096427090 473406060 /nfs/dbraw/zinc/40/60/60/473406060.db2.gz NAGYFDZFIDLKGA-AWEZNQCLSA-N 1 2 345.449 2.937 40 0 EFABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cc4c(cccc4F)[nH]3)CC2)S1 ZINC000096426970 473406135 /nfs/dbraw/zinc/40/61/35/473406135.db2.gz ANBKEQJHGYPDLR-NSHDSACASA-N 1 2 346.431 2.556 40 0 EFABLO CCn1nc(C)c(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000096427674 473407291 /nfs/dbraw/zinc/40/72/91/473407291.db2.gz LIWQBXXHYBMALW-UHFFFAOYSA-N 1 2 345.428 2.506 40 0 EFABLO CN(C)C(=O)c1cccc(NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000096427394 473407305 /nfs/dbraw/zinc/40/73/05/473407305.db2.gz HBXPXTBPBHKBBP-UHFFFAOYSA-N 1 2 326.322 2.759 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000096433847 473412802 /nfs/dbraw/zinc/41/28/02/473412802.db2.gz LHMRPRBYGKUPAQ-UHFFFAOYSA-N 1 2 348.354 2.731 40 0 EFABLO O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000096436025 473415077 /nfs/dbraw/zinc/41/50/77/473415077.db2.gz RWCXWLLATFBGLK-GHTZIAJQSA-N 1 2 335.451 2.782 40 0 EFABLO O=C(NCCn1cccc1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000096460504 473433071 /nfs/dbraw/zinc/43/30/71/473433071.db2.gz HKGYYDDBHRBUSN-UHFFFAOYSA-N 1 2 341.459 2.763 40 0 EFABLO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000096475503 473438546 /nfs/dbraw/zinc/43/85/46/473438546.db2.gz GLEJUEUMMDMFAD-OAHLLOKOSA-N 1 2 332.425 2.822 40 0 EFABLO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000096475503 473438549 /nfs/dbraw/zinc/43/85/49/473438549.db2.gz GLEJUEUMMDMFAD-OAHLLOKOSA-N 1 2 332.425 2.822 40 0 EFABLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096484674 473443404 /nfs/dbraw/zinc/44/34/04/473443404.db2.gz XOTVNCOOXWSZMK-ZBFHGGJFSA-N 1 2 337.782 2.571 40 0 EFABLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000096484674 473443409 /nfs/dbraw/zinc/44/34/09/473443409.db2.gz XOTVNCOOXWSZMK-ZBFHGGJFSA-N 1 2 337.782 2.571 40 0 EFABLO Cc1ccc(-c2ncc(C[N@@H+](C)[C@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000096489426 473445367 /nfs/dbraw/zinc/44/53/67/473445367.db2.gz JUFFEUMMQZWSBD-AWEZNQCLSA-N 1 2 336.482 2.737 40 0 EFABLO Cc1ccc(-c2ncc(C[N@H+](C)[C@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000096489426 473445372 /nfs/dbraw/zinc/44/53/72/473445372.db2.gz JUFFEUMMQZWSBD-AWEZNQCLSA-N 1 2 336.482 2.737 40 0 EFABLO Cc1c[nH+]ccc1NC(=O)NCc1ccc(CN2CCCC2=O)cc1 ZINC000096489248 473445624 /nfs/dbraw/zinc/44/56/24/473445624.db2.gz SBRNYQQPMZBNTJ-UHFFFAOYSA-N 1 2 338.411 2.834 40 0 EFABLO Cc1ccc(-c2ncc(C[N@@H+](C)[C@@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000096489424 473446380 /nfs/dbraw/zinc/44/63/80/473446380.db2.gz JUFFEUMMQZWSBD-CQSZACIVSA-N 1 2 336.482 2.737 40 0 EFABLO Cc1ccc(-c2ncc(C[N@H+](C)[C@@H]3CCS(=O)(=O)C3)s2)cc1 ZINC000096489424 473446387 /nfs/dbraw/zinc/44/63/87/473446387.db2.gz JUFFEUMMQZWSBD-CQSZACIVSA-N 1 2 336.482 2.737 40 0 EFABLO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3nc(C4CC4)no3)ccc2NC1=O ZINC000096492079 473447884 /nfs/dbraw/zinc/44/78/84/473447884.db2.gz OXCSBUXDDPRVQS-YGRLFVJLSA-N 1 2 342.399 2.907 40 0 EFABLO C[C@H]([NH2+]Cc1nnc(C2CC2)o1)c1ccc(N2CCCC2=O)cc1 ZINC000096491298 473448136 /nfs/dbraw/zinc/44/81/36/473448136.db2.gz UNQWGTIPMDUWGO-LBPRGKRZSA-N 1 2 326.400 2.925 40 0 EFABLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000096492360 473448308 /nfs/dbraw/zinc/44/83/08/473448308.db2.gz UJPQASOANSRSHD-INIZCTEOSA-N 1 2 325.380 2.840 40 0 EFABLO CC1(C)CN(CC(F)(F)F)CC[N@@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000096492546 473449235 /nfs/dbraw/zinc/44/92/35/473449235.db2.gz LMMULVFPWLNROC-AWEZNQCLSA-N 1 2 334.357 2.818 40 0 EFABLO CC1(C)CN(CC(F)(F)F)CC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000096492546 473449242 /nfs/dbraw/zinc/44/92/42/473449242.db2.gz LMMULVFPWLNROC-AWEZNQCLSA-N 1 2 334.357 2.818 40 0 EFABLO Cn1ccc([C@@H](NC(=O)c2cccc(-n3cc[nH+]c3)n2)C(F)(F)F)c1 ZINC000096501433 473453999 /nfs/dbraw/zinc/45/39/99/473453999.db2.gz YPIKOIPIRKZOHD-CQSZACIVSA-N 1 2 349.316 2.639 40 0 EFABLO COC(=O)c1ccc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)s1 ZINC000191219104 473511030 /nfs/dbraw/zinc/51/10/30/473511030.db2.gz VLAFUAKXKAINOP-CYBMUJFWSA-N 1 2 337.470 2.558 40 0 EFABLO COC(=O)c1ccc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)s1 ZINC000191219104 473511035 /nfs/dbraw/zinc/51/10/35/473511035.db2.gz VLAFUAKXKAINOP-CYBMUJFWSA-N 1 2 337.470 2.558 40 0 EFABLO COCc1noc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000192127929 473632119 /nfs/dbraw/zinc/63/21/19/473632119.db2.gz MPUCJLKDKXOZPJ-JBCWJZNQSA-N 1 2 339.342 2.675 40 0 EFABLO Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cc[nH+]c(C)c3)C2=O)cc1 ZINC000192385395 473675721 /nfs/dbraw/zinc/67/57/21/473675721.db2.gz RDWFUWYGBCTFEO-QGZVFWFLSA-N 1 2 338.411 2.621 40 0 EFABLO Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cc[nH+]cc3C)C2=O)cc1 ZINC000192387749 473676263 /nfs/dbraw/zinc/67/62/63/473676263.db2.gz RRWCENFMVNNLCU-QGZVFWFLSA-N 1 2 338.411 2.621 40 0 EFABLO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)c2ccoc2C)CC1 ZINC000186615441 473700253 /nfs/dbraw/zinc/70/02/53/473700253.db2.gz KYQWTEDJFAXODW-UHFFFAOYSA-N 1 2 341.411 2.504 40 0 EFABLO O=S1(=O)CC[C@H]([N@H+](Cc2cccc(Cl)c2)C[C@H]2CCCO2)C1 ZINC000246289080 473818298 /nfs/dbraw/zinc/81/82/98/473818298.db2.gz CGEQIGIXRMOFJL-JKSUJKDBSA-N 1 2 343.876 2.508 40 0 EFABLO O=S1(=O)CC[C@H]([N@@H+](Cc2cccc(Cl)c2)C[C@H]2CCCO2)C1 ZINC000246289080 473818306 /nfs/dbraw/zinc/81/83/06/473818306.db2.gz CGEQIGIXRMOFJL-JKSUJKDBSA-N 1 2 343.876 2.508 40 0 EFABLO COc1cc(C[NH+]2CCN(c3nccc(C(C)C)n3)CC2)ccc1O ZINC000194994839 473987820 /nfs/dbraw/zinc/98/78/20/473987820.db2.gz DURJCOKZAAHVJH-UHFFFAOYSA-N 1 2 342.443 2.636 40 0 EFABLO CCn1c(SCC[N@@H+]2CCOC[C@@H]2C)nnc1-c1cccs1 ZINC000188182589 474010956 /nfs/dbraw/zinc/01/09/56/474010956.db2.gz KQPZOBNAOSBICS-LBPRGKRZSA-N 1 2 338.502 2.839 40 0 EFABLO CCn1c(SCC[N@H+]2CCOC[C@@H]2C)nnc1-c1cccs1 ZINC000188182589 474010964 /nfs/dbraw/zinc/01/09/64/474010964.db2.gz KQPZOBNAOSBICS-LBPRGKRZSA-N 1 2 338.502 2.839 40 0 EFABLO O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000195530305 474090840 /nfs/dbraw/zinc/09/08/40/474090840.db2.gz ZHHJOCMOABWWCP-MTQWCTHYSA-N 1 2 342.483 2.830 40 0 EFABLO O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000195530305 474090849 /nfs/dbraw/zinc/09/08/49/474090849.db2.gz ZHHJOCMOABWWCP-MTQWCTHYSA-N 1 2 342.483 2.830 40 0 EFABLO C[C@H](c1ccco1)N(C(=O)NCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000195537490 474091411 /nfs/dbraw/zinc/09/14/11/474091411.db2.gz LDKVUCXVVWWVTN-QLFBSQMISA-N 1 2 335.448 2.624 40 0 EFABLO C[C@H](c1ccco1)N(C(=O)NCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000195537490 474091416 /nfs/dbraw/zinc/09/14/16/474091416.db2.gz LDKVUCXVVWWVTN-QLFBSQMISA-N 1 2 335.448 2.624 40 0 EFABLO C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000195544687 474092879 /nfs/dbraw/zinc/09/28/79/474092879.db2.gz ZJOYAYOGCSDAKW-GXTWGEPZSA-N 1 2 329.366 2.630 40 0 EFABLO C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000195544687 474092886 /nfs/dbraw/zinc/09/28/86/474092886.db2.gz ZJOYAYOGCSDAKW-GXTWGEPZSA-N 1 2 329.366 2.630 40 0 EFABLO CS(=O)(=O)CC[NH2+][C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000195557225 474095099 /nfs/dbraw/zinc/09/50/99/474095099.db2.gz LXGGYHQHRQTVKU-IBGZPJMESA-N 1 2 340.448 2.958 40 0 EFABLO O=C(OCc1ccnc(-n2cc[nH+]c2)c1)c1n[nH]c2c1CCCCC2 ZINC000195579048 474100293 /nfs/dbraw/zinc/10/02/93/474100293.db2.gz FNYZTXXEAFNRCJ-UHFFFAOYSA-N 1 2 337.383 2.616 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ncncc1Cl)c1cccc(F)c1 ZINC000175214331 474161819 /nfs/dbraw/zinc/16/18/19/474161819.db2.gz JPTDTHGUVLKSSZ-CYBMUJFWSA-N 1 2 345.765 2.522 40 0 EFABLO CCn1cc(C[NH+]2CCN(c3ncnc4sc(C)cc43)CC2)cn1 ZINC000188758701 474187050 /nfs/dbraw/zinc/18/70/50/474187050.db2.gz WZQVQQZUDVRWDJ-UHFFFAOYSA-N 1 2 342.472 2.538 40 0 EFABLO COCc1noc(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000182487594 474188828 /nfs/dbraw/zinc/18/88/28/474188828.db2.gz ZOGLDZSGZOIKEU-GFCCVEGCSA-N 1 2 348.472 2.931 40 0 EFABLO COCc1noc(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000182487594 474188833 /nfs/dbraw/zinc/18/88/33/474188833.db2.gz ZOGLDZSGZOIKEU-GFCCVEGCSA-N 1 2 348.472 2.931 40 0 EFABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)Nc1ccccc1F ZINC000224142939 474194852 /nfs/dbraw/zinc/19/48/52/474194852.db2.gz NAUDCJCJZNRRGX-UHFFFAOYSA-N 1 2 344.394 2.926 40 0 EFABLO Cc1ccc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc1C ZINC000224140621 474195747 /nfs/dbraw/zinc/19/57/47/474195747.db2.gz UAHSQBQORCSCGF-UHFFFAOYSA-N 1 2 328.420 2.869 40 0 EFABLO Fc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3[nH]cc[nH+]3)n2)c(F)c1 ZINC000225400133 474209066 /nfs/dbraw/zinc/20/90/66/474209066.db2.gz NZMFUSJTQKUVPA-HNNXBMFYSA-N 1 2 345.353 2.652 40 0 biogenic,in-vitro EFABLO Fc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH+]c[nH]3)n2)c1 ZINC000225400265 474209181 /nfs/dbraw/zinc/20/91/81/474209181.db2.gz DZIRMKLPLPMKCS-INIZCTEOSA-N 1 2 327.363 2.512 40 0 biogenic,in-vitro EFABLO Fc1cccc(-c2c[nH]c([C@@H]3COCCN3Cc3c[nH]c[nH+]3)n2)c1 ZINC000225400265 474209183 /nfs/dbraw/zinc/20/91/83/474209183.db2.gz DZIRMKLPLPMKCS-INIZCTEOSA-N 1 2 327.363 2.512 40 0 biogenic,in-vitro EFABLO Cn1c[nH+]cc1CCC(=O)NCc1ccnc(SC(C)(C)C)c1 ZINC000225424083 474212469 /nfs/dbraw/zinc/21/24/69/474212469.db2.gz DNWRUHWGYSKLHN-UHFFFAOYSA-N 1 2 332.473 2.955 40 0 EFABLO c1cc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC2CCOCC2)ccn1 ZINC000247828423 474213830 /nfs/dbraw/zinc/21/38/30/474213830.db2.gz GULRYWLFTRBJFK-LJQANCHMSA-N 1 2 346.471 2.506 40 0 EFABLO c1cncc(C[NH+]2CC3(C2)OCC[C@H]3CCOCc2ccncc2)c1 ZINC000247841125 474215638 /nfs/dbraw/zinc/21/56/38/474215638.db2.gz KXYGIWAKOHNHHZ-LJQANCHMSA-N 1 2 339.439 2.674 40 0 EFABLO Cc1nc(C)c(CCNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)s1 ZINC000225478681 474215833 /nfs/dbraw/zinc/21/58/33/474215833.db2.gz QNKTYDVFBNAMKR-CQSZACIVSA-N 1 2 347.488 2.556 40 0 EFABLO Cc1nc(C)c(CCNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)s1 ZINC000225478681 474215840 /nfs/dbraw/zinc/21/58/40/474215840.db2.gz QNKTYDVFBNAMKR-CQSZACIVSA-N 1 2 347.488 2.556 40 0 EFABLO O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000225510402 474219585 /nfs/dbraw/zinc/21/95/85/474219585.db2.gz LTHIDGVGALNVOZ-ZDUSSCGKSA-N 1 2 344.846 2.517 40 0 EFABLO O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000225510402 474219593 /nfs/dbraw/zinc/21/95/93/474219593.db2.gz LTHIDGVGALNVOZ-ZDUSSCGKSA-N 1 2 344.846 2.517 40 0 EFABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4ccoc4)C3)C2)n1 ZINC000247882536 474220358 /nfs/dbraw/zinc/22/03/58/474220358.db2.gz RPWKCALGNQARKM-GOSISDBHSA-N 1 2 328.412 2.933 40 0 EFABLO Cn1ncc2c1nc(N1CC=C(c3c(F)cccc3F)CC1)[nH+]c2N ZINC000225515480 474220784 /nfs/dbraw/zinc/22/07/84/474220784.db2.gz ODCLQHYJRCLGQM-UHFFFAOYSA-N 1 2 342.353 2.517 40 0 EFABLO Cc1cncc(CO[C@@H]2CCOC3(C[NH+](Cc4ccco4)C3)C2)c1 ZINC000247944727 474228996 /nfs/dbraw/zinc/22/89/96/474228996.db2.gz VZDFGTIXUOQBEO-QGZVFWFLSA-N 1 2 328.412 2.933 40 0 EFABLO COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000225609440 474229480 /nfs/dbraw/zinc/22/94/80/474229480.db2.gz LNMQBHRORAAVSI-BHYGNILZSA-N 1 2 339.439 2.938 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2cnccn2)CCO3)c1 ZINC000247948198 474230122 /nfs/dbraw/zinc/23/01/22/474230122.db2.gz XFCCHKCHRCGVOM-QGZVFWFLSA-N 1 2 325.412 2.597 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2COc1cccnc1 ZINC000248031516 474248016 /nfs/dbraw/zinc/24/80/16/474248016.db2.gz MBMGGQSOUNLQNV-CQSZACIVSA-N 1 2 331.441 2.516 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2COCc1ccncc1 ZINC000248029818 474248148 /nfs/dbraw/zinc/24/81/48/474248148.db2.gz LPTXGDJWTTXMCD-INIZCTEOSA-N 1 2 345.468 2.654 40 0 EFABLO Cc1nc(CO[C@@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)cs1 ZINC000248067066 474254535 /nfs/dbraw/zinc/25/45/35/474254535.db2.gz XJTADFDDTKUKMU-QGZVFWFLSA-N 1 2 345.468 2.797 40 0 EFABLO Cc1nc(CO[C@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)cs1 ZINC000248067060 474255718 /nfs/dbraw/zinc/25/57/18/474255718.db2.gz XJTADFDDTKUKMU-KRWDZBQOSA-N 1 2 345.468 2.797 40 0 EFABLO Cc1cc(S(=O)(=O)N2CCOc3cc[nH+]cc32)ccc1OC(C)C ZINC000175660904 474276798 /nfs/dbraw/zinc/27/67/98/474276798.db2.gz VSGWVOHZICNDNG-UHFFFAOYSA-N 1 2 348.424 2.765 40 0 EFABLO Cn1nccc1[C@@H]1CCCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000240912290 474552117 /nfs/dbraw/zinc/55/21/17/474552117.db2.gz IXDXEKMGSUANTC-INIZCTEOSA-N 1 2 342.447 2.554 40 0 EFABLO CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@@H]1CSCCS1 ZINC000242191335 474558350 /nfs/dbraw/zinc/55/83/50/474558350.db2.gz XESVLSDXBCTGDD-OLZOCXBDSA-N 1 2 325.503 2.805 40 0 EFABLO OCCC[C@@H](Nc1cc(N2CCSCC2)nc[nH+]1)c1ccccc1 ZINC000277777015 474595309 /nfs/dbraw/zinc/59/53/09/474595309.db2.gz LQWLYNHSGPBBFQ-MRXNPFEDSA-N 1 2 344.484 2.956 40 0 EFABLO OCCC[C@@H](Nc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1 ZINC000277777015 474595316 /nfs/dbraw/zinc/59/53/16/474595316.db2.gz LQWLYNHSGPBBFQ-MRXNPFEDSA-N 1 2 344.484 2.956 40 0 EFABLO OC[C@@H]1CCCN1c1cc(N2CCC[C@@H]2c2ccsc2)nc[nH+]1 ZINC000267262343 474631535 /nfs/dbraw/zinc/63/15/35/474631535.db2.gz XCQLXOGFSCWAIE-LSDHHAIUSA-N 1 2 330.457 2.841 40 0 EFABLO OC[C@@H]1CCCN1c1cc(N2CCC[C@@H]2c2ccsc2)[nH+]cn1 ZINC000267262343 474631537 /nfs/dbraw/zinc/63/15/37/474631537.db2.gz XCQLXOGFSCWAIE-LSDHHAIUSA-N 1 2 330.457 2.841 40 0 EFABLO Cc1noc(C)c1C[N@H+]1Cc2cccn2C[C@H](Oc2cccnc2)C1 ZINC000252019645 474656207 /nfs/dbraw/zinc/65/62/07/474656207.db2.gz XRFMGXFSTSZJLA-GOSISDBHSA-N 1 2 338.411 2.951 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1Cc2cccn2C[C@H](Oc2cccnc2)C1 ZINC000252019645 474656210 /nfs/dbraw/zinc/65/62/10/474656210.db2.gz XRFMGXFSTSZJLA-GOSISDBHSA-N 1 2 338.411 2.951 40 0 EFABLO O=C(c1noc2c1CCCC2)N1CCC(Oc2cc[nH+]cc2)CC1 ZINC000252478919 474665362 /nfs/dbraw/zinc/66/53/62/474665362.db2.gz AXHAYZZBJRDHHG-UHFFFAOYSA-N 1 2 327.384 2.632 40 0 EFABLO CC[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)c1ccc(C)cc1 ZINC000252481313 474667410 /nfs/dbraw/zinc/66/74/10/474667410.db2.gz CITWZZUAIUUUGQ-OKZBNKHCSA-N 1 2 331.460 2.561 40 0 EFABLO CC[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)c1ccc(C)cc1 ZINC000252481313 474667418 /nfs/dbraw/zinc/66/74/18/474667418.db2.gz CITWZZUAIUUUGQ-OKZBNKHCSA-N 1 2 331.460 2.561 40 0 EFABLO O=C(Cc1c[nH+]cn1Cc1ccccc1)NCCc1ccsc1 ZINC000252481908 474667867 /nfs/dbraw/zinc/66/78/67/474667867.db2.gz CVCJXVSLVMLLNI-UHFFFAOYSA-N 1 2 325.437 2.894 40 0 EFABLO CCOc1ccccc1C[N@@H+]1CCN(Cc2nnc(C)s2)[C@@H](C)C1 ZINC000252483818 474669487 /nfs/dbraw/zinc/66/94/87/474669487.db2.gz FJBYBJBRMUWKMT-AWEZNQCLSA-N 1 2 346.500 2.952 40 0 EFABLO CCOc1ccccc1C[N@H+]1CCN(Cc2nnc(C)s2)[C@@H](C)C1 ZINC000252483818 474669493 /nfs/dbraw/zinc/66/94/93/474669493.db2.gz FJBYBJBRMUWKMT-AWEZNQCLSA-N 1 2 346.500 2.952 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC=C(Br)C1 ZINC000252483384 474670268 /nfs/dbraw/zinc/67/02/68/474670268.db2.gz FAESPSIKQUKIHW-UHFFFAOYSA-N 1 2 341.253 2.733 40 0 EFABLO COc1ccc([C@H](NC(=O)CCc2c[nH+]c[nH]2)C(F)(F)F)cc1F ZINC000252502638 474682685 /nfs/dbraw/zinc/68/26/85/474682685.db2.gz USEIMGJPQGTKNR-AWEZNQCLSA-N 1 2 345.296 2.910 40 0 EFABLO COc1ccc([C@H](NC(=O)CCc2c[nH]c[nH+]2)C(F)(F)F)cc1F ZINC000252502638 474682695 /nfs/dbraw/zinc/68/26/95/474682695.db2.gz USEIMGJPQGTKNR-AWEZNQCLSA-N 1 2 345.296 2.910 40 0 EFABLO CCOC[C@@H]1CN(C(=O)CC2Cc3ccccc3C2)Cc2c[nH+]cn21 ZINC000253384731 474732155 /nfs/dbraw/zinc/73/21/55/474732155.db2.gz PYADYUBYPDWNJC-IBGZPJMESA-N 1 2 339.439 2.608 40 0 EFABLO O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@H]1Cc2ccccc2O1 ZINC000253416972 474743687 /nfs/dbraw/zinc/74/36/87/474743687.db2.gz APFWWOXPVIRKHY-LJQANCHMSA-N 1 2 349.390 2.904 40 0 EFABLO CCc1ccc(NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)cc1CC ZINC000253418393 474745919 /nfs/dbraw/zinc/74/59/19/474745919.db2.gz RIHNDSPINVDMMX-MSOLQXFVSA-N 1 2 331.460 2.748 40 0 EFABLO CCc1ccc(NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)cc1CC ZINC000253418393 474745927 /nfs/dbraw/zinc/74/59/27/474745927.db2.gz RIHNDSPINVDMMX-MSOLQXFVSA-N 1 2 331.460 2.748 40 0 EFABLO CO[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccc(F)cc1 ZINC000253433292 474758724 /nfs/dbraw/zinc/75/87/24/474758724.db2.gz VGQJGNGGPDYWGW-KRWDZBQOSA-N 1 2 346.406 2.826 40 0 EFABLO CO[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC000253433292 474758730 /nfs/dbraw/zinc/75/87/30/474758730.db2.gz VGQJGNGGPDYWGW-KRWDZBQOSA-N 1 2 346.406 2.826 40 0 EFABLO CC(C)n1cc[nH+]c1[C@H]1CN(C(=O)c2ccn(C)n2)Cc2ccccc21 ZINC000306129231 474806295 /nfs/dbraw/zinc/80/62/95/474806295.db2.gz HYARSSDZFBUNJE-KRWDZBQOSA-N 1 2 349.438 2.985 40 0 EFABLO CC(C)n1cc[nH+]c1[C@@H]1CN(C(=O)c2ccn(C)n2)Cc2ccccc21 ZINC000306129232 474808040 /nfs/dbraw/zinc/80/80/40/474808040.db2.gz HYARSSDZFBUNJE-QGZVFWFLSA-N 1 2 349.438 2.985 40 0 EFABLO c1coc(C[N@@H+]2Cc3ccnn3[C@H](CCOCC3CCOCC3)C2)c1 ZINC000306130381 474810369 /nfs/dbraw/zinc/81/03/69/474810369.db2.gz JENHBLFJSMBCPU-GOSISDBHSA-N 1 2 345.443 2.866 40 0 EFABLO c1coc(C[N@H+]2Cc3ccnn3[C@H](CCOCC3CCOCC3)C2)c1 ZINC000306130381 474810378 /nfs/dbraw/zinc/81/03/78/474810378.db2.gz JENHBLFJSMBCPU-GOSISDBHSA-N 1 2 345.443 2.866 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2c(C)[nH+]c3ccccn32)n1 ZINC000257279063 474927024 /nfs/dbraw/zinc/92/70/24/474927024.db2.gz OEWIESVTSYDGDO-OAHLLOKOSA-N 1 2 337.427 2.591 40 0 EFABLO COc1ccccc1CC(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257279037 474927162 /nfs/dbraw/zinc/92/71/62/474927162.db2.gz OESYDAYGQMDMKN-QGZVFWFLSA-N 1 2 339.439 2.760 40 0 EFABLO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@@H+]2Cc2cscn2)n1 ZINC000257255120 474928023 /nfs/dbraw/zinc/92/80/23/474928023.db2.gz KGEDPBBPWWVTNY-HNNXBMFYSA-N 1 2 326.429 2.969 40 0 EFABLO Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCC[N@H+]2Cc2cscn2)n1 ZINC000257255120 474928027 /nfs/dbraw/zinc/92/80/27/474928027.db2.gz KGEDPBBPWWVTNY-HNNXBMFYSA-N 1 2 326.429 2.969 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(C)nc2)CC[N@@H+]1C ZINC000257287599 474932246 /nfs/dbraw/zinc/93/22/46/474932246.db2.gz PQQKKMAAZPHDPP-QGZVFWFLSA-N 1 2 325.412 2.528 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(C)nc2)CC[N@H+]1C ZINC000257287599 474932254 /nfs/dbraw/zinc/93/22/54/474932254.db2.gz PQQKKMAAZPHDPP-QGZVFWFLSA-N 1 2 325.412 2.528 40 0 EFABLO COc1cccc(CC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000257294662 474935907 /nfs/dbraw/zinc/93/59/07/474935907.db2.gz QVDMSQZOTZHNQB-KRWDZBQOSA-N 1 2 339.439 2.760 40 0 EFABLO CCCn1ccnc1C[N@@H+]1CCC[C@H]1c1cccc(CNC(C)=O)n1 ZINC000257297139 474937701 /nfs/dbraw/zinc/93/77/01/474937701.db2.gz RGBJIUKIACHMCH-SFHVURJKSA-N 1 2 341.459 2.661 40 0 EFABLO CCCn1ccnc1C[N@H+]1CCC[C@H]1c1cccc(CNC(C)=O)n1 ZINC000257297139 474937709 /nfs/dbraw/zinc/93/77/09/474937709.db2.gz RGBJIUKIACHMCH-SFHVURJKSA-N 1 2 341.459 2.661 40 0 EFABLO COc1ccc([C@H]2CN(C(=O)CCc3cccnc3)CC[N@@H+]2C)cc1 ZINC000257299618 474940383 /nfs/dbraw/zinc/94/03/83/474940383.db2.gz RQUMHYNFJQHRFF-LJQANCHMSA-N 1 2 339.439 2.538 40 0 EFABLO COc1ccc([C@H]2CN(C(=O)CCc3cccnc3)CC[N@H+]2C)cc1 ZINC000257299618 474940389 /nfs/dbraw/zinc/94/03/89/474940389.db2.gz RQUMHYNFJQHRFF-LJQANCHMSA-N 1 2 339.439 2.538 40 0 EFABLO Cc1cc2nc(C3CC[NH+](Cc4cscn4)CC3)cc(=O)n2[nH]1 ZINC000257301425 474941797 /nfs/dbraw/zinc/94/17/97/474941797.db2.gz RYKBNXWSTWALHO-UHFFFAOYSA-N 1 2 329.429 2.579 40 0 EFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)cc[nH+]1 ZINC000257304071 474942611 /nfs/dbraw/zinc/94/26/11/474942611.db2.gz SJYFYXREIMTCAF-HNNXBMFYSA-N 1 2 339.395 2.854 40 0 EFABLO CCn1ccnc1C[NH+]1CC2(C1)CO[C@@H](Cc1cccc(F)c1)C2 ZINC000257301522 474942699 /nfs/dbraw/zinc/94/26/99/474942699.db2.gz RYVMBZVVOPBKAF-KRWDZBQOSA-N 1 2 329.419 2.876 40 0 EFABLO CCn1cc[nH+]c1CN1CC2(C1)CO[C@@H](Cc1cccc(F)c1)C2 ZINC000257301522 474942710 /nfs/dbraw/zinc/94/27/10/474942710.db2.gz RYVMBZVVOPBKAF-KRWDZBQOSA-N 1 2 329.419 2.876 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)CCc2cccnc2)CC[N@@H+]1C ZINC000257308278 474944775 /nfs/dbraw/zinc/94/47/75/474944775.db2.gz TWDJFUOTZWBFDA-SFHVURJKSA-N 1 2 339.439 2.538 40 0 EFABLO COc1ccccc1[C@@H]1CN(C(=O)CCc2cccnc2)CC[N@H+]1C ZINC000257308278 474944784 /nfs/dbraw/zinc/94/47/84/474944784.db2.gz TWDJFUOTZWBFDA-SFHVURJKSA-N 1 2 339.439 2.538 40 0 EFABLO CC(C)n1ccnc1C[N@@H+]1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257306526 474944903 /nfs/dbraw/zinc/94/49/03/474944903.db2.gz SUPAMKNNYDSAIX-IEBWSBKVSA-N 1 2 329.444 2.868 40 0 EFABLO CC(C)n1ccnc1C[N@H+]1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257306526 474944913 /nfs/dbraw/zinc/94/49/13/474944913.db2.gz SUPAMKNNYDSAIX-IEBWSBKVSA-N 1 2 329.444 2.868 40 0 EFABLO Cc1ccc(C(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)c(=O)[nH]1 ZINC000257310971 474946889 /nfs/dbraw/zinc/94/68/89/474946889.db2.gz UHJQSKLXGMPOKM-HNNXBMFYSA-N 1 2 340.427 2.576 40 0 EFABLO Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CC[N@@H+](C)Cc1ccccn1 ZINC000257311274 474947966 /nfs/dbraw/zinc/94/79/66/474947966.db2.gz UITHUOBFJMLWII-QGZVFWFLSA-N 1 2 341.459 2.689 40 0 EFABLO Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CC[N@H+](C)Cc1ccccn1 ZINC000257311274 474947975 /nfs/dbraw/zinc/94/79/75/474947975.db2.gz UITHUOBFJMLWII-QGZVFWFLSA-N 1 2 341.459 2.689 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257313859 474948229 /nfs/dbraw/zinc/94/82/29/474948229.db2.gz UUJWOYYHYXUMRK-HNNXBMFYSA-N 1 2 337.427 2.549 40 0 EFABLO CN(C(=O)c1noc2c1CCCC2)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257311502 474948406 /nfs/dbraw/zinc/94/84/06/474948406.db2.gz UJTUBKAISRFPPX-AWEZNQCLSA-N 1 2 340.427 2.689 40 0 EFABLO Cc1ccc(C(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)c(=O)[nH]1 ZINC000257317751 474951751 /nfs/dbraw/zinc/95/17/51/474951751.db2.gz VKYZMQCZMHCXKW-UHFFFAOYSA-N 1 2 325.412 2.894 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(C3CCCCC3)no2)[nH+]1 ZINC000257321517 474952625 /nfs/dbraw/zinc/95/26/25/474952625.db2.gz WBZOLAYFNLLMRH-OAHLLOKOSA-N 1 2 344.415 2.968 40 0 EFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2c[nH]c(=O)c(Cl)c2)cc[nH+]1 ZINC000257324476 474955290 /nfs/dbraw/zinc/95/52/90/474955290.db2.gz WOVABBIVIUYHMD-AWEZNQCLSA-N 1 2 346.818 2.879 40 0 EFABLO CCCc1ncc(C[N@@H+]2CCCC[C@@H]2c2ccnc(NC)n2)cn1 ZINC000257330170 474957620 /nfs/dbraw/zinc/95/76/20/474957620.db2.gz XNEDIFZZUUQWTM-MRXNPFEDSA-N 1 2 326.448 2.988 40 0 EFABLO CCCc1ncc(C[N@H+]2CCCC[C@@H]2c2ccnc(NC)n2)cn1 ZINC000257330170 474957629 /nfs/dbraw/zinc/95/76/29/474957629.db2.gz XNEDIFZZUUQWTM-MRXNPFEDSA-N 1 2 326.448 2.988 40 0 EFABLO Cc1cc(C)n(CCCC(=O)N2CCC[C@@H]2c2[nH+]c(C)cn2C)n1 ZINC000257329194 474957962 /nfs/dbraw/zinc/95/79/62/474957962.db2.gz XIWRBDVSVAPYDP-MRXNPFEDSA-N 1 2 329.448 2.686 40 0 EFABLO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@@H+]2Cc2cncnc2)n1 ZINC000257330822 474958062 /nfs/dbraw/zinc/95/80/62/474958062.db2.gz XQEYCBWUNNNNFP-MRXNPFEDSA-N 1 2 336.399 2.876 40 0 EFABLO Cc1noc(C)c1-c1nccc([C@H]2CCC[N@H+]2Cc2cncnc2)n1 ZINC000257330822 474958072 /nfs/dbraw/zinc/95/80/72/474958072.db2.gz XQEYCBWUNNNNFP-MRXNPFEDSA-N 1 2 336.399 2.876 40 0 EFABLO Cc1cc(N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)nc[nH+]1 ZINC000257331556 474958700 /nfs/dbraw/zinc/95/87/00/474958700.db2.gz XTIREOPBJXCUPK-LJQANCHMSA-N 1 2 342.418 2.847 40 0 EFABLO Cc1cc(N2CCC[C@](C)(C(=O)NCc3ccc(F)cc3)C2)nc[nH+]1 ZINC000257331555 474959077 /nfs/dbraw/zinc/95/90/77/474959077.db2.gz XTIREOPBJXCUPK-IBGZPJMESA-N 1 2 342.418 2.847 40 0 EFABLO CCc1noc(CCC(=O)N2CCC(Cc3cc[nH+]c(C)c3)CC2)n1 ZINC000257344018 474965550 /nfs/dbraw/zinc/96/55/50/474965550.db2.gz ZVLKIXBXMGUUKV-UHFFFAOYSA-N 1 2 342.443 2.749 40 0 EFABLO COc1ccc([C@H]2C[N@H+](Cc3cccc(C)n3)CCN2C(C)=O)cc1 ZINC000257344348 474965923 /nfs/dbraw/zinc/96/59/23/474965923.db2.gz ZWVFKNXURVSHAD-HXUWFJFHSA-N 1 2 339.439 2.804 40 0 EFABLO COc1ccc([C@H]2C[N@@H+](Cc3cccc(C)n3)CCN2C(C)=O)cc1 ZINC000257344348 474965936 /nfs/dbraw/zinc/96/59/36/474965936.db2.gz ZWVFKNXURVSHAD-HXUWFJFHSA-N 1 2 339.439 2.804 40 0 EFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1CC ZINC000261363045 474973184 /nfs/dbraw/zinc/97/31/84/474973184.db2.gz FRTJSBHUZWXRHT-GFCCVEGCSA-O 1 2 331.421 2.524 40 0 EFABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2C ZINC000261364726 474973280 /nfs/dbraw/zinc/97/32/80/474973280.db2.gz NEFUBKYPKDVBOL-SNVBAGLBSA-O 1 2 331.421 2.524 40 0 EFABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2CC ZINC000261365896 474973761 /nfs/dbraw/zinc/97/37/61/474973761.db2.gz WBWWLNKNUXIJFC-CQSZACIVSA-O 1 2 345.448 2.914 40 0 EFABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1C ZINC000261364238 474973805 /nfs/dbraw/zinc/97/38/05/474973805.db2.gz KDOWSYFCCAQXQC-JTQLQIEISA-O 1 2 331.421 2.524 40 0 EFABLO c1sc(N2CCCC2)nc1CCNc1cc(N2CCCC2)nc[nH+]1 ZINC000302868584 476211058 /nfs/dbraw/zinc/21/10/58/476211058.db2.gz AGXSKTNJPJDADR-UHFFFAOYSA-N 1 2 344.488 2.788 40 0 EFABLO c1sc(N2CCCC2)nc1CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000302868584 476211065 /nfs/dbraw/zinc/21/10/65/476211065.db2.gz AGXSKTNJPJDADR-UHFFFAOYSA-N 1 2 344.488 2.788 40 0 EFABLO COc1cccc(F)c1[C@@H](C)Nc1cc(N2CCOCC2)nc[nH+]1 ZINC000302913968 476212643 /nfs/dbraw/zinc/21/26/43/476212643.db2.gz UWLGTROWADZURP-GFCCVEGCSA-N 1 2 332.379 2.634 40 0 EFABLO COc1cccc(F)c1[C@@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000302913968 476212650 /nfs/dbraw/zinc/21/26/50/476212650.db2.gz UWLGTROWADZURP-GFCCVEGCSA-N 1 2 332.379 2.634 40 0 EFABLO C[C@H](N1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1)C(F)(F)F ZINC000390834345 476804225 /nfs/dbraw/zinc/80/42/25/476804225.db2.gz WWKMXHUIJVOENE-KBPBESRZSA-N 1 2 349.441 2.592 40 0 EFABLO Cc1ccc(-c2ccnn2C)cc1NC(=O)NCCCn1cc[nH+]c1 ZINC000390835315 476805865 /nfs/dbraw/zinc/80/58/65/476805865.db2.gz KJLFWSOAQKSLKU-UHFFFAOYSA-N 1 2 338.415 2.804 40 0 EFABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cc(C)cc(C)c1 ZINC000585094565 479280204 /nfs/dbraw/zinc/28/02/04/479280204.db2.gz BSZHODMADSMOCU-INIZCTEOSA-N 1 2 327.428 2.641 40 0 EFABLO Cc1cc(C(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2COCC2CC2)c(C)o1 ZINC000585094578 479280258 /nfs/dbraw/zinc/28/02/58/479280258.db2.gz CEEXHIKWJAZSHD-OAHLLOKOSA-N 1 2 343.427 2.624 40 0 EFABLO COCCc1c[nH+]c2n1CCN(C(=O)CCc1ccccc1C)[C@H]2C ZINC000585098747 479282740 /nfs/dbraw/zinc/28/27/40/479282740.db2.gz YWCNLOFVUIMJBZ-INIZCTEOSA-N 1 2 341.455 2.916 40 0 EFABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)n1 ZINC000585104961 479285756 /nfs/dbraw/zinc/28/57/56/479285756.db2.gz MUGCNLGBAIUSMJ-LJQANCHMSA-N 1 2 339.439 2.735 40 0 EFABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4ccco4)C3)C2)n1 ZINC000585105506 479286231 /nfs/dbraw/zinc/28/62/31/479286231.db2.gz YIZKYOQQXVNTNC-QGZVFWFLSA-N 1 2 328.412 2.933 40 0 EFABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@@H+]([C@@H](C)c1ccccc1)C2 ZINC000585112632 479288807 /nfs/dbraw/zinc/28/88/07/479288807.db2.gz SIZZSRVDURNBGO-KBPBESRZSA-N 1 2 343.427 2.559 40 0 EFABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC000585112632 479288815 /nfs/dbraw/zinc/28/88/15/479288815.db2.gz SIZZSRVDURNBGO-KBPBESRZSA-N 1 2 343.427 2.559 40 0 EFABLO O=C1CCCN1CC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112668 479289187 /nfs/dbraw/zinc/28/91/87/479289187.db2.gz VAEIHARAHOVSOD-HNNXBMFYSA-N 1 2 330.457 2.514 40 0 EFABLO O=C1CCCN1CC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585112668 479289192 /nfs/dbraw/zinc/28/91/92/479289192.db2.gz VAEIHARAHOVSOD-HNNXBMFYSA-N 1 2 330.457 2.514 40 0 EFABLO O=C(NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)C1CCC1 ZINC000585112547 479289696 /nfs/dbraw/zinc/28/96/96/479289696.db2.gz SOKXDNZBRGMRBF-OAHLLOKOSA-N 1 2 344.484 2.808 40 0 EFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)C1CCC1 ZINC000585112547 479289698 /nfs/dbraw/zinc/28/96/98/479289698.db2.gz SOKXDNZBRGMRBF-OAHLLOKOSA-N 1 2 344.484 2.808 40 0 EFABLO O=C(N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)c1noc2c1CCCC2 ZINC000585124087 479292878 /nfs/dbraw/zinc/29/28/78/479292878.db2.gz ORKFKYDCWKKRJO-HNNXBMFYSA-N 1 2 340.358 2.935 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)[nH+]1 ZINC000585181407 479301839 /nfs/dbraw/zinc/30/18/39/479301839.db2.gz FGNJAQRVLAYKPJ-OAHLLOKOSA-N 1 2 337.427 2.864 40 0 EFABLO Cc1ccc(OC[C@@]2(O)CC[N@@H+](Cc3nccn3C(C)C)C2)cc1 ZINC000585269377 479303315 /nfs/dbraw/zinc/30/33/15/479303315.db2.gz QVMHCKNMIJBZIF-LJQANCHMSA-N 1 2 329.444 2.788 40 0 EFABLO Cc1ccc(OC[C@@]2(O)CC[N@H+](Cc3nccn3C(C)C)C2)cc1 ZINC000585269377 479303319 /nfs/dbraw/zinc/30/33/19/479303319.db2.gz QVMHCKNMIJBZIF-LJQANCHMSA-N 1 2 329.444 2.788 40 0 EFABLO Fc1ccc(F)c(C[NH+]2CCN(c3ccc(C4CC4)nn3)CC2)c1 ZINC000575607834 479451783 /nfs/dbraw/zinc/45/17/83/479451783.db2.gz KJGHNWDNYPKARI-UHFFFAOYSA-N 1 2 330.382 2.954 40 0 EFABLO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1ccc(Br)o1 ZINC000191393602 533739037 /nfs/dbraw/zinc/73/90/37/533739037.db2.gz FDMAEVQQYUTGFD-VIFPVBQESA-N 1 2 334.235 2.523 40 0 EFABLO COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(Br)o1 ZINC000191393602 533739043 /nfs/dbraw/zinc/73/90/43/533739043.db2.gz FDMAEVQQYUTGFD-VIFPVBQESA-N 1 2 334.235 2.523 40 0 EFABLO COc1ccc(F)cc1C(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000130349586 533923736 /nfs/dbraw/zinc/92/37/36/533923736.db2.gz ONXNXFRDHXCIGS-AWEZNQCLSA-N 1 2 329.375 2.628 40 0 EFABLO CC(=O)N1CC[N@@H+](Cc2ccnn2C(C)C)C[C@H]1c1ccccc1 ZINC000257226485 534795496 /nfs/dbraw/zinc/79/54/96/534795496.db2.gz FKTUQCGJMLEFSL-IBGZPJMESA-N 1 2 326.444 2.869 40 0 EFABLO CC(=O)N1CC[N@H+](Cc2ccnn2C(C)C)C[C@H]1c1ccccc1 ZINC000257226485 534795499 /nfs/dbraw/zinc/79/54/99/534795499.db2.gz FKTUQCGJMLEFSL-IBGZPJMESA-N 1 2 326.444 2.869 40 0 EFABLO Cn1ncc(Cl)c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000187425514 534828728 /nfs/dbraw/zinc/82/87/28/534828728.db2.gz IOARQAGIUIJHCX-AWEZNQCLSA-N 1 2 327.856 2.624 40 0 EFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2noc3c2CCCC3)cc[nH+]1 ZINC000257207338 536145517 /nfs/dbraw/zinc/14/55/17/536145517.db2.gz BHHUQWXGWBVFDQ-HNNXBMFYSA-N 1 2 340.427 2.992 40 0 EFABLO CCn1cc[nH+]c1[C@@H](NC(=O)[C@H]1Cc2ccccc21)C1CCOCC1 ZINC000332786298 545853866 /nfs/dbraw/zinc/85/38/66/545853866.db2.gz GOSOZNOPUCSDIW-ROUUACIJSA-N 1 2 339.439 2.827 40 0 EFABLO CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CCO1 ZINC000585108340 546371002 /nfs/dbraw/zinc/37/10/02/546371002.db2.gz PPPIFQSMWSQUEV-BFHYXJOUSA-N 1 2 336.398 2.582 40 0 EFABLO CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CCO1 ZINC000585108340 546371009 /nfs/dbraw/zinc/37/10/09/546371009.db2.gz PPPIFQSMWSQUEV-BFHYXJOUSA-N 1 2 336.398 2.582 40 0 EFABLO CC[C@@H]1CN(C(=O)CC(C)(C)C)[C@H](CO)[C@@H]1C[N@@H+]1CCC(F)(F)C1 ZINC001772594936 1249139712 /nfs/dbraw/zinc/13/97/12/1249139712.db2.gz IHTGEONZXQQKHC-RBSFLKMASA-N 1 2 346.462 2.609 40 0 EFABLO CC[C@@H]1CN(C(=O)CC(C)(C)C)[C@H](CO)[C@@H]1C[N@H+]1CCC(F)(F)C1 ZINC001772594936 1249139729 /nfs/dbraw/zinc/13/97/29/1249139729.db2.gz IHTGEONZXQQKHC-RBSFLKMASA-N 1 2 346.462 2.609 40 0 EFABLO O=C(Nc1nn(CC(F)F)c2ccccc21)[C@H]1CCn2cc[nH+]c2C1 ZINC001262664136 1316478494 /nfs/dbraw/zinc/47/84/94/1316478494.db2.gz LFSPPKOERQMQAS-NSHDSACASA-N 1 2 345.353 2.699 40 0 EFABLO CC(C)C[C@H]([NH3+])c1nnc(S(=O)(=O)Cc2ccccc2Cl)o1 ZINC000002200090 1094682232 /nfs/dbraw/zinc/68/22/32/1094682232.db2.gz QLEOYNJOEAOCDW-LBPRGKRZSA-N 1 2 343.836 2.743 40 0 EFABLO Cc1ccc(-c2n[nH]cc2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000072328659 1102205476 /nfs/dbraw/zinc/20/54/76/1102205476.db2.gz HOCNZFZNUPZMOQ-UHFFFAOYSA-N 1 2 347.422 2.743 40 0 EFABLO O=C(CCC1CCCCC1)N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000052988522 214158852 /nfs/dbraw/zinc/15/88/52/214158852.db2.gz SHDUCLDQDJZJKB-UHFFFAOYSA-N 1 2 349.519 2.504 40 0 EFABLO c1ccc(CCn2nnnc2[C@@H](c2cccnc2)[NH+]2CCCCC2)cc1 ZINC000057710406 214442149 /nfs/dbraw/zinc/44/21/49/214442149.db2.gz LLOTUVJEZVLFHI-LJQANCHMSA-N 1 2 348.454 2.886 40 0 EFABLO C[C@@H]([NH2+]CC1=CCCOC1)c1cc(=O)n2[nH]c(C(C)(C)C)cc2n1 ZINC000100217713 219095182 /nfs/dbraw/zinc/09/51/82/219095182.db2.gz NWLZNZOVNCEVRZ-GFCCVEGCSA-N 1 2 330.432 2.730 40 0 EFABLO CC[N@H+](Cc1nnnn1Cc1ccc(OC)cc1)Cc1ccccc1 ZINC000004230401 210147921 /nfs/dbraw/zinc/14/79/21/210147921.db2.gz NJFRCXXITKQNCE-UHFFFAOYSA-N 1 2 337.427 2.752 40 0 EFABLO CC[N@@H+](Cc1nnnn1Cc1ccc(OC)cc1)Cc1ccccc1 ZINC000004230401 210147927 /nfs/dbraw/zinc/14/79/27/210147927.db2.gz NJFRCXXITKQNCE-UHFFFAOYSA-N 1 2 337.427 2.752 40 0 EFABLO Cc1cc(NC(=O)c2sc(C)nc2C)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000178313548 232133912 /nfs/dbraw/zinc/13/39/12/232133912.db2.gz PYIVWANRNUWPIN-UHFFFAOYSA-N 1 2 342.428 2.913 40 0 EFABLO Cc1c[nH+]ccc1NC(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000179407979 233000260 /nfs/dbraw/zinc/00/02/60/233000260.db2.gz DPRIRVRMWFXYFZ-NSHDSACASA-N 1 2 346.337 2.595 40 0 EFABLO COc1ccc(-c2c[nH]c([C@@H]3COCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000067898795 215245508 /nfs/dbraw/zinc/24/55/08/215245508.db2.gz YIVVDBNUXJQCGN-SFHVURJKSA-N 1 2 343.427 2.638 40 0 biogenic,in-vitro EFABLO COc1ccc(-c2c[nH]c([C@@H]3COCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000067898795 215245511 /nfs/dbraw/zinc/24/55/11/215245511.db2.gz YIVVDBNUXJQCGN-SFHVURJKSA-N 1 2 343.427 2.638 40 0 biogenic,in-vitro EFABLO Fc1ccccc1C[NH2+]C1(Cc2cc(-c3ccccn3)on2)COC1 ZINC000067898250 215245784 /nfs/dbraw/zinc/24/57/84/215245784.db2.gz WBXISGXQHIBLNU-UHFFFAOYSA-N 1 2 339.370 2.977 40 0 biogenic,in-vitro EFABLO C[NH+]1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000069131612 215362267 /nfs/dbraw/zinc/36/22/67/215362267.db2.gz YFMLVXWJKFMESS-UHFFFAOYSA-N 1 2 327.409 2.944 40 0 EFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc2c(c1)OCCO2 ZINC000069390404 215398445 /nfs/dbraw/zinc/39/84/45/215398445.db2.gz YKVFRMKGQWTBIH-UHFFFAOYSA-N 1 2 335.363 2.574 40 0 EFABLO Cc1ccc2nc(C)c(C(=O)NCC(C)(C)[NH+]3CCOCC3)cc2c1 ZINC000040043191 213254122 /nfs/dbraw/zinc/25/41/22/213254122.db2.gz CSCSIZYZUCEKPC-UHFFFAOYSA-N 1 2 341.455 2.692 40 0 EFABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000038679271 213220522 /nfs/dbraw/zinc/22/05/22/213220522.db2.gz JQOCSIBSIUZHFK-UHFFFAOYSA-N 1 2 347.846 2.832 40 0 EFABLO Cc1cc2[nH+]cn(CC3CCN(C(=O)c4cnccn4)CC3)c2cc1C ZINC000038488449 213209962 /nfs/dbraw/zinc/20/99/62/213209962.db2.gz HKLUBBNTONYWLK-UHFFFAOYSA-N 1 2 349.438 2.996 40 0 EFABLO Cc1cc2[nH+]cn(CC3CCN(S(=O)(=O)C4CC4)CC3)c2cc1C ZINC000038488535 213210426 /nfs/dbraw/zinc/21/04/26/213210426.db2.gz VTBBXSOJBFJICN-UHFFFAOYSA-N 1 2 347.484 2.857 40 0 EFABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN(c3ccnc(C)n3)C2)n1 ZINC000072355610 216165127 /nfs/dbraw/zinc/16/51/27/216165127.db2.gz QIGNQSOBVXVJSP-OAHLLOKOSA-N 1 2 349.442 2.707 40 0 EFABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)C[N@@H+](Cc1ccsc1)CC2 ZINC000072339345 216158058 /nfs/dbraw/zinc/15/80/58/216158058.db2.gz GXLWAYWDMPBEHN-UHFFFAOYSA-N 1 2 326.425 2.932 40 0 EFABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)C[N@H+](Cc1ccsc1)CC2 ZINC000072339345 216158061 /nfs/dbraw/zinc/15/80/61/216158061.db2.gz GXLWAYWDMPBEHN-UHFFFAOYSA-N 1 2 326.425 2.932 40 0 EFABLO O=C(c1ccccc1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355326 216163716 /nfs/dbraw/zinc/16/37/16/216163716.db2.gz JOVKMUPMHQTGPU-INIZCTEOSA-N 1 2 333.395 2.682 40 0 EFABLO C[C@H](CCO)[NH+]1CCC(c2csc(Nc3ncccn3)n2)CC1 ZINC000072363698 216169909 /nfs/dbraw/zinc/16/99/09/216169909.db2.gz NRDZIPSYWWVGIH-GFCCVEGCSA-N 1 2 333.461 2.627 40 0 EFABLO O=C(c1ccc(F)cc1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378387 216178483 /nfs/dbraw/zinc/17/84/83/216178483.db2.gz WYYVEURYLQHZFP-MRXNPFEDSA-N 1 2 337.358 2.779 40 0 EFABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2cc[nH]n2)n1 ZINC000072379001 216181706 /nfs/dbraw/zinc/18/17/06/216181706.db2.gz TVCBKCGNBXVHBZ-HNNXBMFYSA-N 1 2 336.399 2.530 40 0 EFABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccn[nH]2)n1 ZINC000072379001 216181710 /nfs/dbraw/zinc/18/17/10/216181710.db2.gz TVCBKCGNBXVHBZ-HNNXBMFYSA-N 1 2 336.399 2.530 40 0 EFABLO Cc1c[nH+]c(N)c(C(=O)C2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC000072373407 216177413 /nfs/dbraw/zinc/17/74/13/216177413.db2.gz FHPABDXIECAQRU-UHFFFAOYSA-N 1 2 341.386 2.846 40 0 EFABLO COCCNc1cc([C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)nc(C)n1 ZINC000072387603 216187002 /nfs/dbraw/zinc/18/70/02/216187002.db2.gz RPEFCMCGNKIQOE-SFHVURJKSA-N 1 2 342.443 2.799 40 0 EFABLO COCCNc1cc([C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)nc(C)n1 ZINC000072387603 216187005 /nfs/dbraw/zinc/18/70/05/216187005.db2.gz RPEFCMCGNKIQOE-SFHVURJKSA-N 1 2 342.443 2.799 40 0 EFABLO Cc1nc(NC2CCCC2)cc([C@H]2CC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072387496 216187157 /nfs/dbraw/zinc/18/71/57/216187157.db2.gz QHRIKISFPCZZBJ-QGZVFWFLSA-N 1 2 326.448 2.820 40 0 EFABLO Cc1nc(NC2CCCC2)cc([C@H]2CC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072387496 216187159 /nfs/dbraw/zinc/18/71/59/216187159.db2.gz QHRIKISFPCZZBJ-QGZVFWFLSA-N 1 2 326.448 2.820 40 0 EFABLO Cc1nc(NC2CCCC2)cc([C@H]2CCN2Cc2cnn(C)c2)[nH+]1 ZINC000072387496 216187162 /nfs/dbraw/zinc/18/71/62/216187162.db2.gz QHRIKISFPCZZBJ-QGZVFWFLSA-N 1 2 326.448 2.820 40 0 EFABLO Cc1cc(C(=O)NCc2ccccc2F)nc([C@@H]2CCC[N@H+]2C)n1 ZINC000072387210 216187292 /nfs/dbraw/zinc/18/72/92/216187292.db2.gz IVKOCTCXBDKDLL-INIZCTEOSA-N 1 2 328.391 2.621 40 0 EFABLO Cc1cc(C(=O)NCc2ccccc2F)nc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072387210 216187294 /nfs/dbraw/zinc/18/72/94/216187294.db2.gz IVKOCTCXBDKDLL-INIZCTEOSA-N 1 2 328.391 2.621 40 0 EFABLO CNc1cc([C@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc(C)n1 ZINC000072387856 216188266 /nfs/dbraw/zinc/18/82/66/216188266.db2.gz FSSXFGXEBFRINZ-GOSISDBHSA-N 1 2 337.427 2.882 40 0 EFABLO CNc1cc([C@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc(C)n1 ZINC000072387856 216188267 /nfs/dbraw/zinc/18/82/67/216188267.db2.gz FSSXFGXEBFRINZ-GOSISDBHSA-N 1 2 337.427 2.882 40 0 EFABLO C[C@H](CNC(=O)NCCc1[nH+]ccn1C(F)F)Oc1ccccc1 ZINC000073056377 216345817 /nfs/dbraw/zinc/34/58/17/216345817.db2.gz GSNJGZIOWBRFGY-GFCCVEGCSA-N 1 2 338.358 2.587 40 0 EFABLO c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@H]3C[C@H]4CC[C@@H]3O4)n2)c1 ZINC000073335344 216379285 /nfs/dbraw/zinc/37/92/85/216379285.db2.gz AACUPBOYYILZEI-IKGGRYGDSA-N 1 2 341.411 2.604 40 0 EFABLO O=C(c1ccc2c(c1)COCO2)N1CC[NH+](Cc2cccs2)CC1 ZINC000073402716 216383867 /nfs/dbraw/zinc/38/38/67/216383867.db2.gz URNCBQRWDDFEPO-UHFFFAOYSA-N 1 2 344.436 2.573 40 0 EFABLO FC(F)(F)c1nnc(N2CCC[N@H+](Cc3cncs3)CC2)s1 ZINC000191686781 239250137 /nfs/dbraw/zinc/25/01/37/239250137.db2.gz ZRPZHDXAOSFLJN-UHFFFAOYSA-N 1 2 349.407 2.726 40 0 EFABLO FC(F)(F)c1nnc(N2CCC[N@@H+](Cc3cncs3)CC2)s1 ZINC000191686781 239250141 /nfs/dbraw/zinc/25/01/41/239250141.db2.gz ZRPZHDXAOSFLJN-UHFFFAOYSA-N 1 2 349.407 2.726 40 0 EFABLO O=C(NC[C@@H](c1cccs1)[NH+]1CCOCC1)NC1CCCCC1 ZINC000023105673 212348117 /nfs/dbraw/zinc/34/81/17/212348117.db2.gz ABFPAGKTQGNCEO-HNNXBMFYSA-N 1 2 337.489 2.753 40 0 EFABLO O=C(CCN1CC[NH+](Cc2ccsc2)CC1)NC1CCCCC1 ZINC000022915776 212333952 /nfs/dbraw/zinc/33/39/52/212333952.db2.gz RZGKERDPSUDWFQ-UHFFFAOYSA-N 1 2 335.517 2.705 40 0 EFABLO Cc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000022515164 212303042 /nfs/dbraw/zinc/30/30/42/212303042.db2.gz APMYQBKSPDQZGH-UHFFFAOYSA-N 1 2 327.409 2.659 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](OCc1ccncc1)CCO2 ZINC000248020848 240286558 /nfs/dbraw/zinc/28/65/58/240286558.db2.gz JAYFHVSMUFQOOE-MRXNPFEDSA-N 1 2 345.468 2.797 40 0 EFABLO O=C(NCCc1cn2ccccc2[nH+]1)NCc1ccc2ncccc2c1 ZINC000193991215 240391122 /nfs/dbraw/zinc/39/11/22/240391122.db2.gz OAUVVDBRAMTHGO-UHFFFAOYSA-N 1 2 345.406 2.924 40 0 EFABLO CN(C)c1nc(N(C)C)c(NC(=O)Nc2ccc(Cl)cc2)c[nH+]1 ZINC000224139749 241731802 /nfs/dbraw/zinc/73/18/02/241731802.db2.gz PULCDXZNFWFWAO-UHFFFAOYSA-N 1 2 334.811 2.906 40 0 EFABLO Cc1csc(CCCC(=O)NCc2cccnc2-n2cc[nH+]c2)n1 ZINC000242191257 243012595 /nfs/dbraw/zinc/01/25/95/243012595.db2.gz XECHANSRWNIGBI-UHFFFAOYSA-N 1 2 341.440 2.671 40 0 EFABLO O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ncnn1-c1ccccc1)c1ccco1 ZINC000241776885 243001410 /nfs/dbraw/zinc/00/14/10/243001410.db2.gz RTINWWJNGQJVIS-IRXDYDNUSA-N 1 2 338.411 2.948 40 0 EFABLO O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ncnn1-c1ccccc1)c1ccco1 ZINC000241776885 243001417 /nfs/dbraw/zinc/00/14/17/243001417.db2.gz RTINWWJNGQJVIS-IRXDYDNUSA-N 1 2 338.411 2.948 40 0 EFABLO O=C1C[C@@H]([N@@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(F)c(F)c1 ZINC000020634657 212157913 /nfs/dbraw/zinc/15/79/13/212157913.db2.gz QURLFWPDZQWSQX-QGZVFWFLSA-N 1 2 342.345 2.655 40 0 EFABLO O=C1C[C@@H]([N@H+]2CCc3ccccc3C2)C(=O)N1c1ccc(F)c(F)c1 ZINC000020634657 212157917 /nfs/dbraw/zinc/15/79/17/212157917.db2.gz QURLFWPDZQWSQX-QGZVFWFLSA-N 1 2 342.345 2.655 40 0 EFABLO COc1ccc(S[C@@H](C)C(=O)NCCCn2cc[nH+]c2)cc1OC ZINC000020488625 212138425 /nfs/dbraw/zinc/13/84/25/212138425.db2.gz WCAYYIRIRRRUHS-ZDUSSCGKSA-N 1 2 349.456 2.587 40 0 EFABLO Cc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020461899 212133579 /nfs/dbraw/zinc/13/35/79/212133579.db2.gz MQOHVOXLGOEZLV-UHFFFAOYSA-N 1 2 327.409 2.659 40 0 EFABLO Cc1cnc(NCC[C@@H]2CCOC23C[NH+](Cc2ccsc2)C3)nc1 ZINC000253600096 244030956 /nfs/dbraw/zinc/03/09/56/244030956.db2.gz DPKZFZTWPKUYTH-MRXNPFEDSA-N 1 2 344.484 2.940 40 0 EFABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](Oc1ncccn1)CCO2 ZINC000253598490 244032479 /nfs/dbraw/zinc/03/24/79/244032479.db2.gz CIHOJAFAHNXALO-AWEZNQCLSA-N 1 2 331.441 2.659 40 0 EFABLO c1ccc(OC[C@H]2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2cccnc2)nc1 ZINC000253602609 244034223 /nfs/dbraw/zinc/03/42/23/244034223.db2.gz QFJGJMZLFSPXDA-KSZLIROESA-N 1 2 325.412 2.535 40 0 EFABLO c1ccc(OC[C@H]2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2cccnc2)nc1 ZINC000253602609 244034227 /nfs/dbraw/zinc/03/42/27/244034227.db2.gz QFJGJMZLFSPXDA-KSZLIROESA-N 1 2 325.412 2.535 40 0 EFABLO Cc1cn2c(cccc2[C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)[nH+]1 ZINC000257204468 244131415 /nfs/dbraw/zinc/13/14/15/244131415.db2.gz AUSXZEKWQXDRTJ-OAHLLOKOSA-N 1 2 335.411 2.761 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)[nH+]1 ZINC000257205818 244133620 /nfs/dbraw/zinc/13/36/20/244133620.db2.gz BASFJVUSBSDUOW-INIZCTEOSA-N 1 2 347.484 2.512 40 0 EFABLO Cc1cn(C)c([C@H]2CCC[N@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257205818 244133623 /nfs/dbraw/zinc/13/36/23/244133623.db2.gz BASFJVUSBSDUOW-INIZCTEOSA-N 1 2 347.484 2.512 40 0 EFABLO Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000257205818 244133628 /nfs/dbraw/zinc/13/36/28/244133628.db2.gz BASFJVUSBSDUOW-INIZCTEOSA-N 1 2 347.484 2.512 40 0 EFABLO Cc1c[nH]c([C@H]2COCCN2C(=O)C(C)(C)c2ccc(F)cc2)[nH+]1 ZINC000257212245 244154172 /nfs/dbraw/zinc/15/41/72/244154172.db2.gz CCMVNPAHCDPKOB-OAHLLOKOSA-N 1 2 331.391 2.735 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)cc[nH+]1 ZINC000257213838 244161393 /nfs/dbraw/zinc/16/13/93/244161393.db2.gz CJHCLTRCFHPUQM-INIZCTEOSA-N 1 2 341.459 2.802 40 0 EFABLO COc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257222043 244187255 /nfs/dbraw/zinc/18/72/55/244187255.db2.gz DRQMEWGEOJIFDM-OAHLLOKOSA-N 1 2 343.402 2.970 40 0 EFABLO Cc1cn2c(cccc2C2CCN(C(=O)C3CCOCC3)CC2)[nH+]1 ZINC000257225821 244197396 /nfs/dbraw/zinc/19/73/96/244197396.db2.gz FHYZGIPRCIOPDR-UHFFFAOYSA-N 1 2 327.428 2.775 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3nc(C(C)C)no3)C2)[nH+]1 ZINC000257227865 244207543 /nfs/dbraw/zinc/20/75/43/244207543.db2.gz FRHJUMRCUQKPTQ-AWEZNQCLSA-N 1 2 345.447 2.574 40 0 EFABLO CNc1nccnc1[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000257220069 244181163 /nfs/dbraw/zinc/18/11/63/244181163.db2.gz DJKCAVRFUUSROG-QGZVFWFLSA-N 1 2 335.411 2.640 40 0 EFABLO CNc1nccnc1[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000257220069 244181166 /nfs/dbraw/zinc/18/11/66/244181166.db2.gz DJKCAVRFUUSROG-QGZVFWFLSA-N 1 2 335.411 2.640 40 0 EFABLO CNc1cc([C@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)cc[nH+]1 ZINC000257220548 244182340 /nfs/dbraw/zinc/18/23/40/244182340.db2.gz DLERZKDYEVXTDD-CQSZACIVSA-N 1 2 343.431 2.926 40 0 EFABLO COc1ccc([C@@H]2CN(C(=O)Cc3csc(C)n3)CC[N@@H+]2C)cc1 ZINC000257219950 244183089 /nfs/dbraw/zinc/18/30/89/244183089.db2.gz DIYSEXXZYIIMKI-KRWDZBQOSA-N 1 2 345.468 2.518 40 0 EFABLO COc1ccc([C@@H]2CN(C(=O)Cc3csc(C)n3)CC[N@H+]2C)cc1 ZINC000257219950 244183097 /nfs/dbraw/zinc/18/30/97/244183097.db2.gz DIYSEXXZYIIMKI-KRWDZBQOSA-N 1 2 345.468 2.518 40 0 EFABLO CNc1cccc([C@H]2C[N@H+](Cc3ccc(F)c(OC)c3)CCO2)n1 ZINC000257243606 244250038 /nfs/dbraw/zinc/25/00/38/244250038.db2.gz IHTBHSCFPBOYNG-QGZVFWFLSA-N 1 2 331.391 2.845 40 0 EFABLO CNc1cccc([C@H]2C[N@@H+](Cc3ccc(F)c(OC)c3)CCO2)n1 ZINC000257243606 244250043 /nfs/dbraw/zinc/25/00/43/244250043.db2.gz IHTBHSCFPBOYNG-QGZVFWFLSA-N 1 2 331.391 2.845 40 0 EFABLO Cc1noc(C)c1-c1cccc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)n1 ZINC000257246643 244257254 /nfs/dbraw/zinc/25/72/54/244257254.db2.gz IVBKTJWNVWKTBC-QGZVFWFLSA-N 1 2 339.399 2.650 40 0 EFABLO Cc1noc(C)c1-c1cccc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)n1 ZINC000257246643 244257259 /nfs/dbraw/zinc/25/72/59/244257259.db2.gz IVBKTJWNVWKTBC-QGZVFWFLSA-N 1 2 339.399 2.650 40 0 EFABLO Cn1ccnc1-c1cnc(C[C@H]2CCCN(c3cccc[nH+]3)C2)cn1 ZINC000257236514 244228492 /nfs/dbraw/zinc/22/84/92/244228492.db2.gz HCNKJEYZZPPBMP-OAHLLOKOSA-N 1 2 334.427 2.731 40 0 EFABLO Nc1cc(-c2c[nH]nc2[C@H]2CCN(C(=O)C3CCCC3)C2)cc[nH+]1 ZINC000257240035 244241960 /nfs/dbraw/zinc/24/19/60/244241960.db2.gz HRTRAWFXYKEUDF-AWEZNQCLSA-N 1 2 325.416 2.560 40 0 EFABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCN(C(=O)C3CCCC3)C2)cc[nH+]1 ZINC000257240036 244242552 /nfs/dbraw/zinc/24/25/52/244242552.db2.gz HRTRAWFXYKEUDF-CQSZACIVSA-N 1 2 325.416 2.560 40 0 EFABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)cc[nH+]1 ZINC000257249569 244265294 /nfs/dbraw/zinc/26/52/94/244265294.db2.gz JIYAQYMGCRMYDS-HNNXBMFYSA-N 1 2 335.404 2.788 40 0 EFABLO Cc1ccnc([C@H]2C[N@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257250659 244267703 /nfs/dbraw/zinc/26/77/03/244267703.db2.gz JNLKICLAKPTZPY-QGZVFWFLSA-N 1 2 335.411 2.749 40 0 EFABLO Cc1ccnc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3)CCO2)n1 ZINC000257250659 244267708 /nfs/dbraw/zinc/26/77/08/244267708.db2.gz JNLKICLAKPTZPY-QGZVFWFLSA-N 1 2 335.411 2.749 40 0 EFABLO Cc1nc(C[N@@H+]2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)no1 ZINC000257250319 244268105 /nfs/dbraw/zinc/26/81/05/244268105.db2.gz JMAMSJYSQSJZGA-OAHLLOKOSA-N 1 2 326.400 2.550 40 0 EFABLO Cc1nc(C[N@H+]2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)no1 ZINC000257250319 244268110 /nfs/dbraw/zinc/26/81/10/244268110.db2.gz JMAMSJYSQSJZGA-OAHLLOKOSA-N 1 2 326.400 2.550 40 0 EFABLO CC(=O)Nc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C)cn3)C2)cc1 ZINC000257250560 244269188 /nfs/dbraw/zinc/26/91/88/244269188.db2.gz JMZYFPQEQPBUKD-LJQANCHMSA-N 1 2 325.412 2.922 40 0 EFABLO CC(=O)Nc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C)cn3)C2)cc1 ZINC000257250560 244269193 /nfs/dbraw/zinc/26/91/93/244269193.db2.gz JMZYFPQEQPBUKD-LJQANCHMSA-N 1 2 325.412 2.922 40 0 EFABLO CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2csc(C)n2)nc1 ZINC000257252930 244274039 /nfs/dbraw/zinc/27/40/39/244274039.db2.gz JWTCKRXFCSDDLC-KRWDZBQOSA-N 1 2 330.457 2.820 40 0 EFABLO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2csc(C)n2)nc1 ZINC000257252930 244274041 /nfs/dbraw/zinc/27/40/41/244274041.db2.gz JWTCKRXFCSDDLC-KRWDZBQOSA-N 1 2 330.457 2.820 40 0 EFABLO COc1ccccc1C[N@@H+]1CC[C@@]1(CCCc1ccccn1)C(N)=O ZINC000257256887 244284623 /nfs/dbraw/zinc/28/46/23/244284623.db2.gz KNHOAXMYRNJNET-FQEVSTJZSA-N 1 2 339.439 2.543 40 0 EFABLO COc1ccccc1C[N@H+]1CC[C@@]1(CCCc1ccccn1)C(N)=O ZINC000257256887 244284630 /nfs/dbraw/zinc/28/46/30/244284630.db2.gz KNHOAXMYRNJNET-FQEVSTJZSA-N 1 2 339.439 2.543 40 0 EFABLO Cc1cc(N2CC[C@@H](Cc3cccc(-c4cncn4C)n3)C2)nc[nH+]1 ZINC000257266875 244365036 /nfs/dbraw/zinc/36/50/36/244365036.db2.gz MEYFMCVSCRTOSX-HNNXBMFYSA-N 1 2 334.427 2.650 40 0 EFABLO Cc1cnc([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cn1 ZINC000257270635 244376749 /nfs/dbraw/zinc/37/67/49/244376749.db2.gz MVAHYYOIDYPNQJ-OAHLLOKOSA-N 1 2 341.440 2.810 40 0 EFABLO Cc1cnc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cn1 ZINC000257270635 244376751 /nfs/dbraw/zinc/37/67/51/244376751.db2.gz MVAHYYOIDYPNQJ-OAHLLOKOSA-N 1 2 341.440 2.810 40 0 EFABLO c1nc(C[N@H+]2CCOC[C@H](Cc3ccc4n[nH]cc4c3)C2)cs1 ZINC000257265003 244358497 /nfs/dbraw/zinc/35/84/97/244358497.db2.gz LWWQTPPNFCDVDY-CQSZACIVSA-N 1 2 328.441 2.711 40 0 EFABLO c1nc(C[N@@H+]2CCOC[C@H](Cc3ccc4n[nH]cc4c3)C2)cs1 ZINC000257265003 244358503 /nfs/dbraw/zinc/35/85/03/244358503.db2.gz LWWQTPPNFCDVDY-CQSZACIVSA-N 1 2 328.441 2.711 40 0 EFABLO CCn1cc(-c2c[nH+]cn2[C@@H](CO)Cc2ccc(N(C)C)cc2)cn1 ZINC000019719585 212057634 /nfs/dbraw/zinc/05/76/34/212057634.db2.gz BSXIUKZXICOXPC-GOSISDBHSA-N 1 2 339.443 2.609 40 0 EFABLO Cc1[nH]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C[NH+]1CCOCC1 ZINC000019690875 212055469 /nfs/dbraw/zinc/05/54/69/212055469.db2.gz DNGFLBMMSBKLEJ-GFCCVEGCSA-N 1 2 342.226 2.664 40 0 EFABLO CCCCCCOc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000019681276 212054479 /nfs/dbraw/zinc/05/44/79/212054479.db2.gz RNVZZBOSXWLAOU-UHFFFAOYSA-N 1 2 334.460 2.708 40 0 EFABLO Cc1nn(C)cc1NC(=O)C[NH+]1CCC(Oc2ccccc2C)CC1 ZINC000019658902 212054200 /nfs/dbraw/zinc/05/42/00/212054200.db2.gz OBHHNNLPXWHQRV-UHFFFAOYSA-N 1 2 342.443 2.519 40 0 EFABLO Cc1cc(C)n([C@H](C)CC(=O)N2CCCN(c3cccc[nH+]3)CC2)n1 ZINC000019572911 212045930 /nfs/dbraw/zinc/04/59/30/212045930.db2.gz BCMOLTRGSZUTCC-QGZVFWFLSA-N 1 2 341.459 2.585 40 0 EFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000019524392 212038174 /nfs/dbraw/zinc/03/81/74/212038174.db2.gz YPHHZWCLMQFHMO-OAHLLOKOSA-N 1 2 326.444 2.799 40 0 EFABLO CC(C)c1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000019452767 212028915 /nfs/dbraw/zinc/02/89/15/212028915.db2.gz ISLQVSGZGOPALG-UHFFFAOYSA-N 1 2 329.400 2.883 40 0 EFABLO O=C(NCc1ccccn1)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000019401947 212025490 /nfs/dbraw/zinc/02/54/90/212025490.db2.gz NBPJZLQFXGPBCD-UHFFFAOYSA-N 1 2 343.390 2.988 40 0 EFABLO O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@@H+]2Cc2cccnc2)[nH]1 ZINC000019402508 212025948 /nfs/dbraw/zinc/02/59/48/212025948.db2.gz UWCRZBPZMMOXNK-QGZVFWFLSA-N 1 2 333.395 2.564 40 0 EFABLO O=c1cc(-c2ccccn2)nc([C@H]2CCC[N@H+]2Cc2cccnc2)[nH]1 ZINC000019402508 212025949 /nfs/dbraw/zinc/02/59/49/212025949.db2.gz UWCRZBPZMMOXNK-QGZVFWFLSA-N 1 2 333.395 2.564 40 0 EFABLO O=C(NCc1ccncc1)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000019399741 212026023 /nfs/dbraw/zinc/02/60/23/212026023.db2.gz BCDZPPWBPKYDPV-UHFFFAOYSA-N 1 2 343.390 2.988 40 0 EFABLO O=C(CCCn1cc[nH+]c1)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019346885 212019955 /nfs/dbraw/zinc/01/99/55/212019955.db2.gz QZMPQRWMEXDXRG-INIZCTEOSA-N 1 2 337.427 2.946 40 0 EFABLO Fc1cccc(Cl)c1C[NH+]1CC(c2nc(-c3cnccn3)no2)C1 ZINC000049485885 214013181 /nfs/dbraw/zinc/01/31/81/214013181.db2.gz RTXIHJBRSFPATQ-UHFFFAOYSA-N 1 2 345.765 2.919 40 0 EFABLO COC(=O)C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000050048098 214042260 /nfs/dbraw/zinc/04/22/60/214042260.db2.gz PKASIVWEFHQWGK-UHFFFAOYSA-N 1 2 330.197 2.973 40 0 EFABLO Cc1[nH+]c([C@H]2CCCN(C(=O)CCn3cccn3)C2)c2sccn12 ZINC000019240744 212009262 /nfs/dbraw/zinc/00/92/62/212009262.db2.gz HWUZJDSCYDJBQB-AWEZNQCLSA-N 1 2 343.456 2.697 40 0 EFABLO CC(C)c1csc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000078189504 217030354 /nfs/dbraw/zinc/03/03/54/217030354.db2.gz HHQQLSVKNVMOSU-CQSZACIVSA-N 1 2 337.489 2.593 40 0 EFABLO Cc1csc2c(C3CCN(C(=O)c4ccnn4C)CC3)[nH+]c(C)n12 ZINC000019240566 212008116 /nfs/dbraw/zinc/00/81/16/212008116.db2.gz SWLZVNOKLMEULG-UHFFFAOYSA-N 1 2 343.456 2.766 40 0 EFABLO Cc1ncsc1CNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000078446720 217054746 /nfs/dbraw/zinc/05/47/46/217054746.db2.gz LTACLCFIKQIJPJ-HNNXBMFYSA-N 1 2 341.440 2.774 40 0 EFABLO COc1ccc(CCC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000078393960 217046770 /nfs/dbraw/zinc/04/67/70/217046770.db2.gz XFTZEJQSMAGWPG-UHFFFAOYSA-N 1 2 339.439 2.762 40 0 EFABLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2cccc(F)c2)cn1 ZINC000078556745 217077575 /nfs/dbraw/zinc/07/75/75/217077575.db2.gz BAEGGPLGDOARTC-UHFFFAOYSA-N 1 2 332.360 2.516 40 0 EFABLO CC(=O)N1CCC(C(=O)Nc2cc[nH+]c(C)c2)(c2ccccc2)CC1 ZINC000079001776 217171822 /nfs/dbraw/zinc/17/18/22/217171822.db2.gz FZRZNMPQDNZHOU-UHFFFAOYSA-N 1 2 337.423 2.909 40 0 EFABLO O=C(NCCCn1cc[nH+]c1)C1(c2ccccc2Cl)CCOCC1 ZINC000079351745 217212621 /nfs/dbraw/zinc/21/26/21/217212621.db2.gz MSZJPFFJJKFFLA-UHFFFAOYSA-N 1 2 347.846 2.791 40 0 EFABLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)COc2ccccc2F)CC1 ZINC000079353402 217213141 /nfs/dbraw/zinc/21/31/41/217213141.db2.gz CRVAKLPZGLWBMN-OAHLLOKOSA-N 1 2 343.402 2.505 40 0 EFABLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)c2nccs2)CC1 ZINC000079355157 217213639 /nfs/dbraw/zinc/21/36/39/217213639.db2.gz OANBVZSPDRYNGJ-UONOGXRCSA-N 1 2 345.472 2.688 40 0 EFABLO C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1nccs1 ZINC000079355154 217214384 /nfs/dbraw/zinc/21/43/84/217214384.db2.gz OANBVZSPDRYNGJ-KBPBESRZSA-N 1 2 345.472 2.688 40 0 EFABLO Cc1ncsc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000110698363 220057751 /nfs/dbraw/zinc/05/77/51/220057751.db2.gz TVPFAJRZHANJLX-KGLIPLIRSA-N 1 2 337.395 2.905 40 0 EFABLO Cc1ncsc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000110698363 220057753 /nfs/dbraw/zinc/05/77/53/220057753.db2.gz TVPFAJRZHANJLX-KGLIPLIRSA-N 1 2 337.395 2.905 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439318 217224356 /nfs/dbraw/zinc/22/43/56/217224356.db2.gz KRTJEWWHCHFYMS-ZDUSSCGKSA-N 1 2 333.436 2.862 40 0 EFABLO CC(C)(C)OC(=O)N1CCC[C@H](Nc2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439318 217224360 /nfs/dbraw/zinc/22/43/60/217224360.db2.gz KRTJEWWHCHFYMS-ZDUSSCGKSA-N 1 2 333.436 2.862 40 0 EFABLO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1 ZINC000079439394 217224882 /nfs/dbraw/zinc/22/48/82/217224882.db2.gz ZMWBGHWSLZJFNV-CYBMUJFWSA-N 1 2 347.463 2.792 40 0 EFABLO CC(C)(C)OC(=O)NC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1 ZINC000079439394 217224885 /nfs/dbraw/zinc/22/48/85/217224885.db2.gz ZMWBGHWSLZJFNV-CYBMUJFWSA-N 1 2 347.463 2.792 40 0 EFABLO COC(=O)[C@H](C)[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)c1ccccc1 ZINC000079635175 217245821 /nfs/dbraw/zinc/24/58/21/217245821.db2.gz HXKZFDHWCYXDEJ-CXAGYDPISA-N 1 2 337.379 2.615 40 0 EFABLO C[C@@H](CNC(=O)Nc1ccc2nc(C3CC3)oc2c1)[NH+]1CCOCC1 ZINC000079852996 217258813 /nfs/dbraw/zinc/25/88/13/217258813.db2.gz MSVYLMFOIGEUQN-LBPRGKRZSA-N 1 2 344.415 2.547 40 0 EFABLO CC(C)C[C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCCCC1=O ZINC000087275958 217722392 /nfs/dbraw/zinc/72/23/92/217722392.db2.gz UJTOVENJNGHBAJ-JKSUJKDBSA-N 1 2 346.475 2.543 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCCCC1)c1ccc(F)c(F)c1 ZINC000012114982 211294845 /nfs/dbraw/zinc/29/48/45/211294845.db2.gz MJGYDMVYWCCLQJ-OAHLLOKOSA-N 1 2 334.370 2.983 40 0 EFABLO O=C(NC[C@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000012088102 211289037 /nfs/dbraw/zinc/28/90/37/211289037.db2.gz SWAXGZXFVGDPNL-MRXNPFEDSA-N 1 2 336.395 2.572 40 0 EFABLO O=C(c1cccs1)N1CCC[N@H+](Cc2cccc3c2OCO3)CC1 ZINC000093385759 218219294 /nfs/dbraw/zinc/21/92/94/218219294.db2.gz GKTPVEHOPGXBBD-UHFFFAOYSA-N 1 2 344.436 2.825 40 0 EFABLO O=C(c1cccs1)N1CCC[N@@H+](Cc2cccc3c2OCO3)CC1 ZINC000093385759 218219297 /nfs/dbraw/zinc/21/92/97/218219297.db2.gz GKTPVEHOPGXBBD-UHFFFAOYSA-N 1 2 344.436 2.825 40 0 EFABLO Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000095407289 218344279 /nfs/dbraw/zinc/34/42/79/218344279.db2.gz HNTKQOWIWLUEIN-CYBMUJFWSA-N 1 2 349.385 2.832 40 0 EFABLO Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000095407289 218344282 /nfs/dbraw/zinc/34/42/82/218344282.db2.gz HNTKQOWIWLUEIN-CYBMUJFWSA-N 1 2 349.385 2.832 40 0 EFABLO O=C(Cc1ccccc1OC(F)F)NCCc1cn2c([nH+]1)CCCC2 ZINC000096411185 218766181 /nfs/dbraw/zinc/76/61/81/218766181.db2.gz WFVZMUIUEMXQQC-UHFFFAOYSA-N 1 2 349.381 2.722 40 0 EFABLO CS[C@H]1CC[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000096462804 218845364 /nfs/dbraw/zinc/84/53/64/218845364.db2.gz DNZUUWSMEBWNBK-CABCVRRESA-N 1 2 345.472 2.693 40 0 EFABLO Cc1cc2ccccc2[nH+]c1NCc1ccc(CS(N)(=O)=O)cc1 ZINC000096480915 218857627 /nfs/dbraw/zinc/85/76/27/218857627.db2.gz PPYMWAOFTNGWTF-UHFFFAOYSA-N 1 2 341.436 2.944 40 0 EFABLO CCn1ccnc(N2CCC[C@H](c3[nH]c4ccc(C)cc4[nH+]3)C2)c1=O ZINC000097373506 219017014 /nfs/dbraw/zinc/01/70/14/219017014.db2.gz RFAARGBKPQVKCM-AWEZNQCLSA-N 1 2 337.427 2.832 40 0 EFABLO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@@H](C)[C@@H]3CCCO3)s2)cc1 ZINC000097374236 219017147 /nfs/dbraw/zinc/01/71/47/219017147.db2.gz TYMMSDQULXDLJQ-JSGCOSHPSA-N 1 2 346.456 2.756 40 0 EFABLO CS(=O)(=O)C[C@H]([NH2+]Cc1cc(F)c(F)cc1F)c1ccccc1 ZINC000154926852 224329169 /nfs/dbraw/zinc/32/91/69/224329169.db2.gz GFJZAEXTBPVLBD-INIZCTEOSA-N 1 2 343.370 2.979 40 0 EFABLO COc1ccc(CC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1F ZINC000130940063 533447846 /nfs/dbraw/zinc/44/78/46/533447846.db2.gz CFXIHCDWEDEOGI-OAHLLOKOSA-N 1 2 343.402 2.557 40 0 EFABLO O=C(NC[C@@H](c1ccco1)[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000056945247 132198344 /nfs/dbraw/zinc/19/83/44/132198344.db2.gz YRYVKKFLXVAFSC-SFHVURJKSA-N 1 2 339.439 2.669 40 0 EFABLO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000057406256 132200420 /nfs/dbraw/zinc/20/04/20/132200420.db2.gz FILXKZQKFJHFCY-INIZCTEOSA-N 1 2 339.439 2.850 40 0 EFABLO CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CCO1 ZINC000347624920 142246627 /nfs/dbraw/zinc/24/66/27/142246627.db2.gz PPPIFQSMWSQUEV-MGPQQGTHSA-N 1 2 336.398 2.582 40 0 EFABLO CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CCO1 ZINC000347624920 142246628 /nfs/dbraw/zinc/24/66/28/142246628.db2.gz PPPIFQSMWSQUEV-MGPQQGTHSA-N 1 2 336.398 2.582 40 0 EFABLO O=C(CSc1cccc(Br)c1)NCCn1cc[nH+]c1 ZINC000096487516 544559432 /nfs/dbraw/zinc/55/94/32/544559432.db2.gz SNQVMADDCPGNHE-UHFFFAOYSA-N 1 2 340.246 2.554 40 0 EFABLO CCOC[C@H]1CN(C(=O)c2ccco2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060329 276334389 /nfs/dbraw/zinc/33/43/89/276334389.db2.gz LTJKCBCELAJWAH-CQSZACIVSA-N 1 2 329.400 2.662 40 0 EFABLO COc1cc2c(cc1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000000898438 277393307 /nfs/dbraw/zinc/39/33/07/277393307.db2.gz PLEOQAHCVRVCDL-ZDUSSCGKSA-N 1 2 327.380 2.867 40 0 in-vitro EFABLO COc1cc2c(cc1O)-c1c(O)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000000898438 277393309 /nfs/dbraw/zinc/39/33/09/277393309.db2.gz PLEOQAHCVRVCDL-ZDUSSCGKSA-N 1 2 327.380 2.867 40 0 in-vitro EFABLO CC(C)n1cc[nH+]c1CN1CCOC[C@H]1CC(=O)c1cccs1 ZINC000119603738 278135984 /nfs/dbraw/zinc/13/59/84/278135984.db2.gz SKVKEGDDECLNGU-CQSZACIVSA-N 1 2 333.457 2.999 40 0 EFABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](Oc1cncc(C)n1)CCO2 ZINC000253601540 278995561 /nfs/dbraw/zinc/99/55/61/278995561.db2.gz SYXOPIPDOWVWCP-HNNXBMFYSA-N 1 2 345.468 2.967 40 0 EFABLO Cc1nc(N2CCC3(C[C@H]3C(=O)N3CCCC3)CC2)c(C)c(C)[nH+]1 ZINC000253422999 279075914 /nfs/dbraw/zinc/07/59/14/279075914.db2.gz RFJOLABYLHKVQK-INIZCTEOSA-N 1 2 328.460 2.631 40 0 EFABLO Cc1nc2[nH]ccc2c(N2CCC[C@@H](C(=O)N3CCCCCC3)C2)[nH+]1 ZINC000080985988 279109613 /nfs/dbraw/zinc/10/96/13/279109613.db2.gz PULWMJNYVGLCGY-OAHLLOKOSA-N 1 2 341.459 2.885 40 0 EFABLO Cc1nn(C)c(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1C ZINC000079352495 279200114 /nfs/dbraw/zinc/20/01/14/279200114.db2.gz LRETWTXMCJNMDT-UHFFFAOYSA-N 1 2 343.456 2.865 40 0 EFABLO COC[C@@H]1CN(C(=O)c2cc(C)oc2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045088 292917593 /nfs/dbraw/zinc/91/75/93/292917593.db2.gz YJDPQYQPXCMXQF-HNNXBMFYSA-N 1 2 343.427 2.889 40 0 EFABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@@H+]2CCC(F)(F)F)cc1 ZINC000257269664 295250177 /nfs/dbraw/zinc/25/01/77/295250177.db2.gz MQVMWBOOJBDAGK-OAHLLOKOSA-N 1 2 330.350 2.853 40 0 EFABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@H+]2CCC(F)(F)F)cc1 ZINC000257269664 295250178 /nfs/dbraw/zinc/25/01/78/295250178.db2.gz MQVMWBOOJBDAGK-OAHLLOKOSA-N 1 2 330.350 2.853 40 0 EFABLO COc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 ZINC000096111910 295362487 /nfs/dbraw/zinc/36/24/87/295362487.db2.gz LCXCSSXOZFNPRE-RDJZCZTQSA-N 1 2 338.407 2.694 40 0 biogenic,in-vitro EFABLO COc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C(=O)N(C)c1ccccc1O2 ZINC000096111910 295362490 /nfs/dbraw/zinc/36/24/90/295362490.db2.gz LCXCSSXOZFNPRE-RDJZCZTQSA-N 1 2 338.407 2.694 40 0 biogenic,in-vitro EFABLO COc1cccc(Cn2c3ccccc3[nH+]c2NCc2cnnn2C)c1 ZINC000097378039 323214751 /nfs/dbraw/zinc/21/47/51/323214751.db2.gz JWIBXRVNOJDRGK-UHFFFAOYSA-N 1 2 348.410 2.834 40 0 EFABLO CSc1ccccc1S(=O)(=O)NCCc1cn2ccccc2[nH+]1 ZINC000186912149 323414958 /nfs/dbraw/zinc/41/49/58/323414958.db2.gz SSIVNRGLLJNTPM-UHFFFAOYSA-N 1 2 347.465 2.577 40 0 EFABLO COc1cc(-c2nnc([C@@H]([NH3+])c3ccccc3)[nH]2)cc(OC)c1OC ZINC000095533391 473221591 /nfs/dbraw/zinc/22/15/91/473221591.db2.gz KBEIOKHNIWQAPA-HNNXBMFYSA-N 1 2 340.383 2.546 40 0 EFABLO COc1ccc(OCc2n[nH]c([C@@H]([NH3+])c3ccc(F)cc3)n2)cc1 ZINC000095533283 473221713 /nfs/dbraw/zinc/22/17/13/473221713.db2.gz MOZNGGMYBOKUMD-INIZCTEOSA-N 1 2 328.347 2.580 40 0 EFABLO COc1cccc(NCc2n[nH]c([C@H]([NH3+])c3ccc(F)cc3)n2)c1 ZINC000095533286 473221947 /nfs/dbraw/zinc/22/19/47/473221947.db2.gz OSIYINNMODCWSO-MRXNPFEDSA-N 1 2 327.363 2.613 40 0 EFABLO COc1cccc(NCc2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)c1 ZINC000095533286 473221952 /nfs/dbraw/zinc/22/19/52/473221952.db2.gz OSIYINNMODCWSO-MRXNPFEDSA-N 1 2 327.363 2.613 40 0 EFABLO COc1cccc(NCc2nc([C@H]([NH3+])c3ccc(F)cc3)n[nH]2)c1 ZINC000095533286 473221958 /nfs/dbraw/zinc/22/19/58/473221958.db2.gz OSIYINNMODCWSO-MRXNPFEDSA-N 1 2 327.363 2.613 40 0 EFABLO CCOc1ccc([C@H]([NH3+])c2nc([C@@H]3CCCO3)n[nH]2)cc1OCC ZINC000095534592 473223456 /nfs/dbraw/zinc/22/34/56/473223456.db2.gz NORSXFZMTVZFCK-ZFWWWQNUSA-N 1 2 332.404 2.502 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)n1 ZINC000096041646 473260940 /nfs/dbraw/zinc/26/09/40/473260940.db2.gz CBHDETMHUTZNNB-XUVXKRRUSA-N 1 2 346.471 2.565 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)n1 ZINC000096041646 473260948 /nfs/dbraw/zinc/26/09/48/473260948.db2.gz CBHDETMHUTZNNB-XUVXKRRUSA-N 1 2 346.471 2.565 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCc2cnn(C)c2[C@@H]1COCC1CC1 ZINC000096044484 473264828 /nfs/dbraw/zinc/26/48/28/473264828.db2.gz QXVQAWABIAYZEU-KRWDZBQOSA-N 1 2 330.432 2.551 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCc2cnn(C)c2[C@@H]1COCC1CC1 ZINC000096044484 473264834 /nfs/dbraw/zinc/26/48/34/473264834.db2.gz QXVQAWABIAYZEU-KRWDZBQOSA-N 1 2 330.432 2.551 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCc2cnn(C)c2[C@H]1COCC1CC1 ZINC000096044485 473265428 /nfs/dbraw/zinc/26/54/28/473265428.db2.gz QXVQAWABIAYZEU-QGZVFWFLSA-N 1 2 330.432 2.551 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCc2cnn(C)c2[C@H]1COCC1CC1 ZINC000096044485 473265433 /nfs/dbraw/zinc/26/54/33/473265433.db2.gz QXVQAWABIAYZEU-QGZVFWFLSA-N 1 2 330.432 2.551 40 0 EFABLO COC[C@@H]1CN(Cc2c(C)noc2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045054 473266613 /nfs/dbraw/zinc/26/66/13/473266613.db2.gz QQFZOGYUYPOZQC-HNNXBMFYSA-N 1 2 330.432 2.644 40 0 EFABLO COC[C@@H]1C[N@H+](Cc2c(C)noc2C)Cc2ncn(CC3CC3)c21 ZINC000096045054 473266619 /nfs/dbraw/zinc/26/66/19/473266619.db2.gz QQFZOGYUYPOZQC-HNNXBMFYSA-N 1 2 330.432 2.644 40 0 EFABLO COC[C@@H]1C[N@@H+](Cc2c(C)noc2C)Cc2ncn(CC3CC3)c21 ZINC000096045054 473266629 /nfs/dbraw/zinc/26/66/29/473266629.db2.gz QQFZOGYUYPOZQC-HNNXBMFYSA-N 1 2 330.432 2.644 40 0 EFABLO CCn1cc2c(n1)C[N@@H+](Cc1ccccn1)C[C@H]2COCC1CC1 ZINC000096045229 473266794 /nfs/dbraw/zinc/26/67/94/473266794.db2.gz BFJCSCWNGWHWRJ-INIZCTEOSA-N 1 2 326.444 2.824 40 0 EFABLO CCn1cc2c(n1)C[N@H+](Cc1ccccn1)C[C@H]2COCC1CC1 ZINC000096045229 473266802 /nfs/dbraw/zinc/26/68/02/473266802.db2.gz BFJCSCWNGWHWRJ-INIZCTEOSA-N 1 2 326.444 2.824 40 0 EFABLO COC[C@@H]1C[N@H+](Cc2ccc(C)s2)Cc2nnn(CC3CC3)c21 ZINC000096045562 473266851 /nfs/dbraw/zinc/26/68/51/473266851.db2.gz VYOVOMQHBBZDDK-AWEZNQCLSA-N 1 2 332.473 2.804 40 0 EFABLO COC[C@@H]1C[N@@H+](Cc2ccc(C)s2)Cc2nnn(CC3CC3)c21 ZINC000096045562 473266859 /nfs/dbraw/zinc/26/68/59/473266859.db2.gz VYOVOMQHBBZDDK-AWEZNQCLSA-N 1 2 332.473 2.804 40 0 EFABLO COC[C@@H]1CN(C(=O)c2ccoc2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045070 473267649 /nfs/dbraw/zinc/26/76/49/473267649.db2.gz IZDPEUXCNPGIHV-AWEZNQCLSA-N 1 2 329.400 2.581 40 0 EFABLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@H+]1Cc1ccc(C)s1 ZINC000096060551 473285351 /nfs/dbraw/zinc/28/53/51/473285351.db2.gz GYQKSYUMLVDTIT-MRXNPFEDSA-N 1 2 332.473 2.804 40 0 EFABLO COC[C@@H]1c2nnn(CC3CC3)c2CC[N@@H+]1Cc1ccc(C)s1 ZINC000096060551 473285358 /nfs/dbraw/zinc/28/53/58/473285358.db2.gz GYQKSYUMLVDTIT-MRXNPFEDSA-N 1 2 332.473 2.804 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)o1 ZINC000096058012 473282209 /nfs/dbraw/zinc/28/22/09/473282209.db2.gz DEAILZBGNABXFF-IPMKNSEASA-N 1 2 328.412 2.932 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccccn4)CC[C@@H]32)o1 ZINC000096058012 473282213 /nfs/dbraw/zinc/28/22/13/473282213.db2.gz DEAILZBGNABXFF-IPMKNSEASA-N 1 2 328.412 2.932 40 0 EFABLO CCOC[C@H]1C[N@H+](Cc2ccccn2)Cc2cn(CC3CC3)nc21 ZINC000096059973 473282633 /nfs/dbraw/zinc/28/26/33/473282633.db2.gz VOMFLKSHAYCKSH-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@H]1C[N@@H+](Cc2ccccn2)Cc2cn(CC3CC3)nc21 ZINC000096059973 473282635 /nfs/dbraw/zinc/28/26/35/473282635.db2.gz VOMFLKSHAYCKSH-QGZVFWFLSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@H]1CN(Cc2ccccn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060323 473282987 /nfs/dbraw/zinc/28/29/87/473282987.db2.gz PCHWTMANODZQGS-MRXNPFEDSA-N 1 2 326.444 2.824 40 0 EFABLO c1ccc(N2CC[C@@H]3O[C@H](COCC4CCOCC4)CC[C@@H]32)[nH+]c1 ZINC000096064627 473286493 /nfs/dbraw/zinc/28/64/93/473286493.db2.gz GOTCZAYSMIAXQE-BZSNNMDCSA-N 1 2 332.444 2.651 40 0 EFABLO CCn1cc2c(n1)C[N@@H+](CCOCc1ccccc1)C[C@@H]2COC ZINC000096068689 473289737 /nfs/dbraw/zinc/28/97/37/473289737.db2.gz UNUJSIGGKVOOGW-QGZVFWFLSA-N 1 2 329.444 2.665 40 0 EFABLO CCn1cc2c(n1)C[N@H+](CCOCc1ccccc1)C[C@@H]2COC ZINC000096068689 473289744 /nfs/dbraw/zinc/28/97/44/473289744.db2.gz UNUJSIGGKVOOGW-QGZVFWFLSA-N 1 2 329.444 2.665 40 0 EFABLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000096109784 473304339 /nfs/dbraw/zinc/30/43/39/473304339.db2.gz RIQDNSGJAWJIKX-OAHLLOKOSA-N 1 2 343.475 2.900 40 0 EFABLO C[C@@H]1c2ncc(COCC3CCCC3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000096109784 473304346 /nfs/dbraw/zinc/30/43/46/473304346.db2.gz RIQDNSGJAWJIKX-OAHLLOKOSA-N 1 2 343.475 2.900 40 0 EFABLO Cc1csc(C[N@@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)n1 ZINC000096187162 473329079 /nfs/dbraw/zinc/32/90/79/473329079.db2.gz JLSGJOQXQHDSTA-RYRKJORJSA-N 1 2 345.468 2.795 40 0 EFABLO Cc1csc(C[N@H+]2C[C@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)n1 ZINC000096187162 473329084 /nfs/dbraw/zinc/32/90/84/473329084.db2.gz JLSGJOQXQHDSTA-RYRKJORJSA-N 1 2 345.468 2.795 40 0 EFABLO O=C(Cc1ccccc1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187906 473329571 /nfs/dbraw/zinc/32/95/71/473329571.db2.gz PGVRSAVNTLOGAU-SFHVURJKSA-N 1 2 339.439 2.511 40 0 EFABLO c1cn2c(n1)C[N@H+](Cc1ccoc1)C[C@H](COCc1ccccn1)C2 ZINC000096188129 473330330 /nfs/dbraw/zinc/33/03/30/473330330.db2.gz BLXKSYIKBZNHBS-KRWDZBQOSA-N 1 2 338.411 2.720 40 0 EFABLO c1cn2c(n1)C[N@@H+](Cc1ccoc1)C[C@H](COCc1ccccn1)C2 ZINC000096188129 473330338 /nfs/dbraw/zinc/33/03/38/473330338.db2.gz BLXKSYIKBZNHBS-KRWDZBQOSA-N 1 2 338.411 2.720 40 0 EFABLO c1cn2c([nH+]1)CN(Cc1ccoc1)C[C@H](COCc1ccccn1)C2 ZINC000096188129 473330347 /nfs/dbraw/zinc/33/03/47/473330347.db2.gz BLXKSYIKBZNHBS-KRWDZBQOSA-N 1 2 338.411 2.720 40 0 EFABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1ccoc1)CC2)Cc1ccco1 ZINC000096197464 473334466 /nfs/dbraw/zinc/33/44/66/473334466.db2.gz ZIIKLDHBPCECFQ-UHFFFAOYSA-N 1 2 326.400 2.717 40 0 EFABLO C[N@H+](Cc1cn2c(n1)CN(Cc1ccoc1)CC2)Cc1ccco1 ZINC000096197464 473334472 /nfs/dbraw/zinc/33/44/72/473334472.db2.gz ZIIKLDHBPCECFQ-UHFFFAOYSA-N 1 2 326.400 2.717 40 0 EFABLO Cc1nc(CN2Cc3c[nH+]cn3C[C@@H](COCC3CC3)C2)cs1 ZINC000096207361 473341701 /nfs/dbraw/zinc/34/17/01/473341701.db2.gz IZIGKPVGTAGMIP-HNNXBMFYSA-N 1 2 332.473 2.707 40 0 EFABLO O=C(c1cscn1)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216687 473349894 /nfs/dbraw/zinc/34/98/94/473349894.db2.gz JCQUWDJDHMMFEB-KRWDZBQOSA-N 1 2 328.441 2.671 40 0 EFABLO c1cc(NC2CCCC2)nc([C@@H]2COCC[N@H+]2CC2CCOCC2)n1 ZINC000096219183 473352508 /nfs/dbraw/zinc/35/25/08/473352508.db2.gz VXCDEQIMAONYMM-KRWDZBQOSA-N 1 2 346.475 2.631 40 0 EFABLO c1cc(NC2CCCC2)nc([C@@H]2COCC[N@@H+]2CC2CCOCC2)n1 ZINC000096219183 473352515 /nfs/dbraw/zinc/35/25/15/473352515.db2.gz VXCDEQIMAONYMM-KRWDZBQOSA-N 1 2 346.475 2.631 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@]2(CCCN(c3nccs3)C2)C1 ZINC000096226598 473358197 /nfs/dbraw/zinc/35/81/97/473358197.db2.gz AWZAJYBXSOHDFV-QGZVFWFLSA-N 1 2 348.472 2.619 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCO[C@]2(CCCN(c3nccs3)C2)C1 ZINC000096226598 473358200 /nfs/dbraw/zinc/35/82/00/473358200.db2.gz AWZAJYBXSOHDFV-QGZVFWFLSA-N 1 2 348.472 2.619 40 0 EFABLO Cc1cccc(N2CCC[C@]3(CN(Cc4c[nH+]cn4C)CCO3)C2)c1 ZINC000096226249 473357431 /nfs/dbraw/zinc/35/74/31/473357431.db2.gz QKVJCJJUSBJQKP-FQEVSTJZSA-N 1 2 340.471 2.600 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@@]2(CCCN(c3nccs3)C2)C1 ZINC000096226599 473357868 /nfs/dbraw/zinc/35/78/68/473357868.db2.gz AWZAJYBXSOHDFV-KRWDZBQOSA-N 1 2 348.472 2.619 40 0 EFABLO Cc1noc(C)c1C[N@H+]1CCO[C@@]2(CCCN(c3nccs3)C2)C1 ZINC000096226599 473357876 /nfs/dbraw/zinc/35/78/76/473357876.db2.gz AWZAJYBXSOHDFV-KRWDZBQOSA-N 1 2 348.472 2.619 40 0 EFABLO C[NH+](C)[C@@H](CNC(=O)COC1CCCC1)c1c(F)cccc1F ZINC000096406379 473383178 /nfs/dbraw/zinc/38/31/78/473383178.db2.gz OFJVOFYLBRQKOL-HNNXBMFYSA-N 1 2 326.387 2.643 40 0 EFABLO COCc1ccc(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)o1 ZINC000096406381 473383819 /nfs/dbraw/zinc/38/38/19/473383819.db2.gz WUOGHAVOIQDXLF-AWEZNQCLSA-N 1 2 338.354 2.737 40 0 EFABLO Cc1[nH+]cc(CNc2ccc3c(c2)n(C)c(=O)n3C)n1-c1ccccc1 ZINC000084040657 473384427 /nfs/dbraw/zinc/38/44/27/473384427.db2.gz CMFHDYHWLZMYSP-UHFFFAOYSA-N 1 2 347.422 2.983 40 0 EFABLO CCO[C@@H](C)c1nc(CC(=O)NCc2cn3ccccc3[nH+]2)cs1 ZINC000096409485 473388188 /nfs/dbraw/zinc/38/81/88/473388188.db2.gz GIRFARQXTOAEGT-LBPRGKRZSA-N 1 2 344.440 2.747 40 0 EFABLO CC[N@H+](CCS(=O)(=O)CC)Cc1ccc(Br)s1 ZINC000096411334 473390684 /nfs/dbraw/zinc/39/06/84/473390684.db2.gz XPMXHQBOWYUIGQ-UHFFFAOYSA-N 1 2 340.308 2.767 40 0 EFABLO CC[N@@H+](CCS(=O)(=O)CC)Cc1ccc(Br)s1 ZINC000096411334 473390689 /nfs/dbraw/zinc/39/06/89/473390689.db2.gz XPMXHQBOWYUIGQ-UHFFFAOYSA-N 1 2 340.308 2.767 40 0 EFABLO CCNC1=[NH+]P(NCC)(NCC)=NC(C(Cl)(Cl)Cl)=N1 ZINC000005247227 471495461 /nfs/dbraw/zinc/49/54/61/471495461.db2.gz LHECWBDQJSEIJB-UHFFFAOYSA-N 1 2 347.618 2.899 40 0 EFABLO CC[N@H+](CCO)[C@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000006384902 471543488 /nfs/dbraw/zinc/54/34/88/471543488.db2.gz VEPYGOOHIRUATC-IBGZPJMESA-N 1 2 343.423 2.942 40 0 EFABLO CC[N@@H+](CCO)[C@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000006384902 471543493 /nfs/dbraw/zinc/54/34/93/471543493.db2.gz VEPYGOOHIRUATC-IBGZPJMESA-N 1 2 343.423 2.942 40 0 EFABLO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC(C(N)=O)CC1 ZINC000007388449 471610769 /nfs/dbraw/zinc/61/07/69/471610769.db2.gz GNDBFMLBNZBNKY-VIFPVBQESA-N 1 2 344.242 2.518 40 0 EFABLO NC(=O)c1ccc(NC(=O)C[N@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000007651224 471626962 /nfs/dbraw/zinc/62/69/62/471626962.db2.gz HZTZJNHTXIFSJN-UHFFFAOYSA-N 1 2 335.407 2.513 40 0 EFABLO NC(=O)c1ccc(NC(=O)C[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000007651224 471626965 /nfs/dbraw/zinc/62/69/65/471626965.db2.gz HZTZJNHTXIFSJN-UHFFFAOYSA-N 1 2 335.407 2.513 40 0 EFABLO COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(OC)c(F)c2)cc1 ZINC000008092991 471661922 /nfs/dbraw/zinc/66/19/22/471661922.db2.gz PHPZYPIAVZMTFG-UHFFFAOYSA-N 1 2 332.375 2.913 40 0 EFABLO COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(OC)c(F)c2)cc1 ZINC000008092991 471661924 /nfs/dbraw/zinc/66/19/24/471661924.db2.gz PHPZYPIAVZMTFG-UHFFFAOYSA-N 1 2 332.375 2.913 40 0 EFABLO C[N@@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530066 471778084 /nfs/dbraw/zinc/77/80/84/471778084.db2.gz RVZGBHIUJZZGPF-IRXDYDNUSA-N 1 2 348.406 2.912 40 0 biogenic,in-vitro EFABLO C[N@H+]1C[C@@H](NC(=O)c2ccccc2)C[C@H]1c1nc(-c2ccccc2)no1 ZINC000012530066 471778089 /nfs/dbraw/zinc/77/80/89/471778089.db2.gz RVZGBHIUJZZGPF-IRXDYDNUSA-N 1 2 348.406 2.912 40 0 biogenic,in-vitro EFABLO C[C@@H](NC(=O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000012931956 471806992 /nfs/dbraw/zinc/80/69/92/471806992.db2.gz GAOGKHQEBYBRMC-OWCLPIDISA-N 1 2 330.472 2.852 40 0 EFABLO C[C@@H](NC(=O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCCC2 ZINC000012931956 471806997 /nfs/dbraw/zinc/80/69/97/471806997.db2.gz GAOGKHQEBYBRMC-OWCLPIDISA-N 1 2 330.472 2.852 40 0 EFABLO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000014129538 471854684 /nfs/dbraw/zinc/85/46/84/471854684.db2.gz PGRIUYALURDGOM-MRXNPFEDSA-N 1 2 334.416 2.503 40 0 EFABLO C[N@H+]1CCN(S(=O)(=O)c2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000014129538 471854687 /nfs/dbraw/zinc/85/46/87/471854687.db2.gz PGRIUYALURDGOM-MRXNPFEDSA-N 1 2 334.416 2.503 40 0 EFABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccn3)n2)c1 ZINC000015674386 471913883 /nfs/dbraw/zinc/91/38/83/471913883.db2.gz ONCNVCHXDFEBIX-SJORKVTESA-N 1 2 336.395 2.748 40 0 biogenic,in-vitro EFABLO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccn3)n2)c1 ZINC000015674386 471913888 /nfs/dbraw/zinc/91/38/88/471913888.db2.gz ONCNVCHXDFEBIX-SJORKVTESA-N 1 2 336.395 2.748 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@H+](Cc2cccs2)C1 ZINC000015674456 471914365 /nfs/dbraw/zinc/91/43/65/471914365.db2.gz DRBNSJWNCGNPIT-OCCSQVGLSA-N 1 2 328.397 2.501 40 0 biogenic,in-vitro EFABLO O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@@H+](Cc2cccs2)C1 ZINC000015674456 471914367 /nfs/dbraw/zinc/91/43/67/471914367.db2.gz DRBNSJWNCGNPIT-OCCSQVGLSA-N 1 2 328.397 2.501 40 0 biogenic,in-vitro EFABLO Fc1ccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000016704497 471948149 /nfs/dbraw/zinc/94/81/49/471948149.db2.gz KIZHMLNSYCPTKE-UHFFFAOYSA-N 1 2 330.432 2.735 40 0 EFABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2ccsc2)CC1 ZINC000019240337 471978228 /nfs/dbraw/zinc/97/82/28/471978228.db2.gz QOKQHBVCUFGZFF-UHFFFAOYSA-N 1 2 331.466 2.886 40 0 EFABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2ccsc2)CC1 ZINC000019240337 471978234 /nfs/dbraw/zinc/97/82/34/471978234.db2.gz QOKQHBVCUFGZFF-UHFFFAOYSA-N 1 2 331.466 2.886 40 0 EFABLO O=C(c1ncoc1-c1ccccc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000019373965 471979467 /nfs/dbraw/zinc/97/94/67/471979467.db2.gz JWKGWLNXKURYRM-UHFFFAOYSA-N 1 2 348.406 2.695 40 0 EFABLO O=C(NCCc1ccc2c(c1)OCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050409 472044761 /nfs/dbraw/zinc/04/47/61/472044761.db2.gz SYMXHCFTDSNNAA-UHFFFAOYSA-N 1 2 335.363 2.574 40 0 EFABLO C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCN(c2ccccc2)CC1 ZINC000025423333 472096009 /nfs/dbraw/zinc/09/60/09/472096009.db2.gz DWUOIMXOGHQMDC-INIZCTEOSA-N 1 2 341.430 2.653 40 0 EFABLO c1ccc(CN2CC[NH+](CCNc3cnc4ccccc4n3)CC2)cc1 ZINC000026135931 472124509 /nfs/dbraw/zinc/12/45/09/472124509.db2.gz ACZXJCMJSUYBHG-UHFFFAOYSA-N 1 2 347.466 2.860 40 0 EFABLO CCc1nnc2ccc(NCc3ccc(N4CCCCC4)[nH+]c3)nn21 ZINC000068666851 472224783 /nfs/dbraw/zinc/22/47/83/472224783.db2.gz RENQUUJLDBGQSQ-UHFFFAOYSA-N 1 2 337.431 2.684 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1F ZINC000029086382 472249468 /nfs/dbraw/zinc/24/94/68/472249468.db2.gz LENGLFSZIJYFNH-QGZVFWFLSA-N 1 2 349.369 2.955 40 0 EFABLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1ccco1)c1ccccc1F ZINC000030000009 472311361 /nfs/dbraw/zinc/31/13/61/472311361.db2.gz WXYDWAWPITYZDL-QGZVFWFLSA-N 1 2 327.359 2.991 40 0 EFABLO COc1ccc(C[NH+]2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 ZINC000044872795 472346576 /nfs/dbraw/zinc/34/65/76/472346576.db2.gz MRLUAKYCEGZEMJ-UHFFFAOYSA-N 1 2 333.819 2.635 40 0 EFABLO O=S1(=O)[C@H]2CCCCC[C@@]2([NH+]2CCOCC2)[C@@H]1C1CCCCC1 ZINC000031716429 472389727 /nfs/dbraw/zinc/38/97/27/472389727.db2.gz KFAGSDTTWOOWFW-BZSNNMDCSA-N 1 2 341.517 2.767 40 0 EFABLO CCO[C@@H](C)c1nc(C[NH+]2CCC(CNC(C)=O)CC2)cs1 ZINC000076722258 472390812 /nfs/dbraw/zinc/39/08/12/472390812.db2.gz AMABHQFVYQJFBR-LBPRGKRZSA-N 1 2 325.478 2.589 40 0 EFABLO CCc1[nH+]c2ccccc2n1C1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000089369299 472421904 /nfs/dbraw/zinc/42/19/04/472421904.db2.gz YHGFIINFHNGTCX-UHFFFAOYSA-N 1 2 337.427 2.728 40 0 EFABLO Cc1cccc(Cl)c1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000097095194 472443136 /nfs/dbraw/zinc/44/31/36/472443136.db2.gz AJXFLWGRVVYTCA-CHWSQXEVSA-N 1 2 325.840 2.879 40 0 EFABLO CS[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000097096476 472443812 /nfs/dbraw/zinc/44/38/12/472443812.db2.gz HEOLKGHWMZIXSI-DOTOQJQBSA-N 1 2 348.516 2.583 40 0 EFABLO O=C(C[C@H]1COCC[N@H+]1Cc1ccc(CO)cc1)c1ccccc1 ZINC000097095914 472444109 /nfs/dbraw/zinc/44/41/09/472444109.db2.gz USXFDMKCPQLVOZ-IBGZPJMESA-N 1 2 325.408 2.653 40 0 EFABLO O=C(C[C@H]1COCC[N@@H+]1Cc1ccc(CO)cc1)c1ccccc1 ZINC000097095914 472444113 /nfs/dbraw/zinc/44/41/13/472444113.db2.gz USXFDMKCPQLVOZ-IBGZPJMESA-N 1 2 325.408 2.653 40 0 EFABLO COc1ccc(COC(=O)c2ccnc(-n3cc[nH+]c3)c2)cc1F ZINC000097098226 472444429 /nfs/dbraw/zinc/44/44/29/472444429.db2.gz HYJTYBQNXIJKPR-UHFFFAOYSA-N 1 2 327.315 2.772 40 0 EFABLO CCn1c2ccc(Br)cc2[nH+]c1NCc1cnnn1C ZINC000097102948 472447799 /nfs/dbraw/zinc/44/77/99/472447799.db2.gz DBSXAPRSUTZWTQ-UHFFFAOYSA-N 1 2 335.209 2.559 40 0 EFABLO C[N@H+](Cc1c(C2CC2)nc2sccn12)CC(C)(C)S(C)(=O)=O ZINC000097230912 472483435 /nfs/dbraw/zinc/48/34/35/472483435.db2.gz QJFMJGJXIRSQKY-UHFFFAOYSA-N 1 2 341.502 2.528 40 0 EFABLO C[N@@H+](Cc1c(C2CC2)nc2sccn12)CC(C)(C)S(C)(=O)=O ZINC000097230912 472483439 /nfs/dbraw/zinc/48/34/39/472483439.db2.gz QJFMJGJXIRSQKY-UHFFFAOYSA-N 1 2 341.502 2.528 40 0 EFABLO O=C1CC[N@H+](Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)CCN1 ZINC000097230843 472483740 /nfs/dbraw/zinc/48/37/40/472483740.db2.gz HYZXTZMERMRINY-OAHLLOKOSA-N 1 2 341.480 2.738 40 0 EFABLO O=C1CC[N@@H+](Cc2nc3c(s2)C[C@H](c2ccccc2)CC3)CCN1 ZINC000097230843 472483744 /nfs/dbraw/zinc/48/37/44/472483744.db2.gz HYZXTZMERMRINY-OAHLLOKOSA-N 1 2 341.480 2.738 40 0 EFABLO O=C(c1cccc(-n2cc[nH+]c2)n1)N(C[C@@H](O)c1ccccc1)C1CC1 ZINC000097238719 472486519 /nfs/dbraw/zinc/48/65/19/472486519.db2.gz IDUNIDMPFUPBSP-GOSISDBHSA-N 1 2 348.406 2.606 40 0 EFABLO CCCn1c(C)nnc1C[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000097370689 472492112 /nfs/dbraw/zinc/49/21/12/472492112.db2.gz IIWAOJNLELHDBW-UHFFFAOYSA-N 1 2 329.448 2.743 40 0 EFABLO O=S1(=O)CC[C@@H]([N@H+](Cc2cccc(Cl)c2)C[C@H]2CCCO2)C1 ZINC000070980135 472530125 /nfs/dbraw/zinc/53/01/25/472530125.db2.gz CGEQIGIXRMOFJL-HZPDHXFCSA-N 1 2 343.876 2.508 40 0 EFABLO O=S1(=O)CC[C@@H]([N@@H+](Cc2cccc(Cl)c2)C[C@H]2CCCO2)C1 ZINC000070980135 472530131 /nfs/dbraw/zinc/53/01/31/472530131.db2.gz CGEQIGIXRMOFJL-HZPDHXFCSA-N 1 2 343.876 2.508 40 0 EFABLO Cc1cc(C)n(Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)n1 ZINC000058332614 472548966 /nfs/dbraw/zinc/54/89/66/472548966.db2.gz OWOZYBFRQFHDJR-UHFFFAOYSA-N 1 2 337.427 2.565 40 0 EFABLO O=C(/C=C/c1cccnc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000071838834 472580024 /nfs/dbraw/zinc/58/00/24/472580024.db2.gz CZNNPDCGYUJHHY-NJNCEADSSA-N 1 2 333.435 2.952 40 0 EFABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N(C)C)[nH+]c2)cc1 ZINC000072212605 472632976 /nfs/dbraw/zinc/63/29/76/472632976.db2.gz RKGASUFJCWSJCW-QGZVFWFLSA-N 1 2 345.468 2.982 40 0 EFABLO O=S(=O)(c1cccc2c1N=S=N2)N1CCC(n2cc[nH+]c2)CC1 ZINC000120661807 472726432 /nfs/dbraw/zinc/72/64/32/472726432.db2.gz ANAHVHLSVPICNJ-UHFFFAOYSA-N 1 2 349.441 2.635 40 0 EFABLO C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl ZINC000079043777 472809874 /nfs/dbraw/zinc/80/98/74/472809874.db2.gz SINVRRFTAXUIOQ-GHMZBOCLSA-N 1 2 325.771 2.648 40 0 EFABLO C[C@@H]1C[C@@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)O1 ZINC000048324193 472856881 /nfs/dbraw/zinc/85/68/81/472856881.db2.gz BNZXNVFPLKSHSH-BXUZGUMPSA-N 1 2 328.334 2.531 40 0 EFABLO COc1ccccc1[C@H](CNS(=O)(=O)c1ccc(C)cc1)[NH+](C)C ZINC000048325651 472857270 /nfs/dbraw/zinc/85/72/70/472857270.db2.gz KXXQLUJUPGFNEO-KRWDZBQOSA-N 1 2 348.468 2.585 40 0 EFABLO OC1(C[N@@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000158152923 472899488 /nfs/dbraw/zinc/89/94/88/472899488.db2.gz BOTFFAQHBLUSBK-OAHLLOKOSA-N 1 2 346.254 2.908 40 0 EFABLO OC1(C[N@H+]2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000158152923 472899494 /nfs/dbraw/zinc/89/94/94/472899494.db2.gz BOTFFAQHBLUSBK-OAHLLOKOSA-N 1 2 346.254 2.908 40 0 EFABLO COc1c(C)c[nH+]c(CN2C(=O)CN(c3ccccc3)C2=O)c1C ZINC000074015903 472923210 /nfs/dbraw/zinc/92/32/10/472923210.db2.gz QNDHFSIKDDDDPH-UHFFFAOYSA-N 1 2 325.368 2.676 40 0 EFABLO Cc1cc(N2CCN(C(=O)CCSc3ccccc3)CC2)nc[nH+]1 ZINC000075166359 473144399 /nfs/dbraw/zinc/14/43/99/473144399.db2.gz FZWDFWQXVLUVFG-UHFFFAOYSA-N 1 2 342.468 2.616 40 0 EFABLO C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000110694110 473171653 /nfs/dbraw/zinc/17/16/53/473171653.db2.gz XOTVNCOOXWSZMK-GDBMZVCRSA-N 1 2 337.782 2.571 40 0 EFABLO C[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000110694110 473171656 /nfs/dbraw/zinc/17/16/56/473171656.db2.gz XOTVNCOOXWSZMK-GDBMZVCRSA-N 1 2 337.782 2.571 40 0 EFABLO C[C@H]1SCCN(C(=O)NCc2[nH+]ccn2Cc2ccccc2)[C@@H]1C ZINC000075456252 473187473 /nfs/dbraw/zinc/18/74/73/473187473.db2.gz VPWUYGJMQHMNFS-HUUCEWRRSA-N 1 2 344.484 2.967 40 0 EFABLO O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1C[C@@H]1c1ccccc1 ZINC000095395145 473195807 /nfs/dbraw/zinc/19/58/07/473195807.db2.gz HXBZVLRCQWAQFI-FUHWJXTLSA-N 1 2 338.455 2.865 40 0 EFABLO Cc1noc([C@@H](NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C(C)C)n1 ZINC000096412400 473392038 /nfs/dbraw/zinc/39/20/38/473392038.db2.gz UACZFWDHJRVLIU-DYVFJYSZSA-N 1 2 342.443 2.638 40 0 EFABLO Cc1noc([C@@H](NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C(C)C)n1 ZINC000096412400 473392044 /nfs/dbraw/zinc/39/20/44/473392044.db2.gz UACZFWDHJRVLIU-DYVFJYSZSA-N 1 2 342.443 2.638 40 0 EFABLO CCc1ccc([C@@H]2COCCN2C(=O)NCCCCn2cc[nH+]c2)o1 ZINC000096413078 473392308 /nfs/dbraw/zinc/39/23/08/473392308.db2.gz KTJYBMJMZSAPRY-INIZCTEOSA-N 1 2 346.431 2.602 40 0 EFABLO C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000096424320 473402083 /nfs/dbraw/zinc/40/20/83/473402083.db2.gz MAZUAMZEKJQILX-KBXCAEBGSA-N 1 2 347.409 2.772 40 0 EFABLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2noc3c2CCCC3)CC1 ZINC000096424322 473402404 /nfs/dbraw/zinc/40/24/04/473402404.db2.gz UOKVWLSEQFIZHM-HNNXBMFYSA-N 1 2 326.444 2.827 40 0 EFABLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2nc(-c3ccco3)no2)CC1 ZINC000096424335 473402472 /nfs/dbraw/zinc/40/24/72/473402472.db2.gz YHYRCVLQWHBUBM-CQSZACIVSA-N 1 2 339.399 2.603 40 0 EFABLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000096425509 473403827 /nfs/dbraw/zinc/40/38/27/473403827.db2.gz TVQFEMVLVZAAOZ-ZDUSSCGKSA-N 1 2 337.427 2.584 40 0 EFABLO C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cc4ccccc4o3)CC2)S1 ZINC000096426958 473406458 /nfs/dbraw/zinc/40/64/58/473406458.db2.gz DCSTVARVQUWALV-LBPRGKRZSA-N 1 2 329.425 2.682 40 0 EFABLO NC(=O)c1cc(Cl)ccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000096427464 473407052 /nfs/dbraw/zinc/40/70/52/473407052.db2.gz VFBNJAIBXMPDKM-UHFFFAOYSA-N 1 2 332.713 2.810 40 0 EFABLO CNC(=O)c1c(C)cccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000096427490 473407693 /nfs/dbraw/zinc/40/76/93/473407693.db2.gz DAMOUIJNFYWDRG-UHFFFAOYSA-N 1 2 326.322 2.726 40 0 EFABLO Cc1cc2[nH+]cn(CCN3C(=O)NC4(CCCC4)C3=O)c2cc1C ZINC000096428813 473408763 /nfs/dbraw/zinc/40/87/63/473408763.db2.gz ZQJBFYKMLBMWQP-UHFFFAOYSA-N 1 2 326.400 2.518 40 0 EFABLO O=C(COc1ccccc1F)NCc1[nH+]ccn1Cc1ccccc1 ZINC000096431606 473410784 /nfs/dbraw/zinc/41/07/84/473410784.db2.gz WREMBIMJRHCJLC-UHFFFAOYSA-N 1 2 339.370 2.766 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cccc([S@@](C)=O)c1 ZINC000096434878 473414353 /nfs/dbraw/zinc/41/43/53/473414353.db2.gz UYZSQDSNMAGUAN-QHCPKHFHSA-N 1 2 334.445 2.598 40 0 EFABLO O=C(NCCNc1cccc[nH+]1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000096435997 473415318 /nfs/dbraw/zinc/41/53/18/473415318.db2.gz DYQSPYQLFHNYHR-UHFFFAOYSA-N 1 2 349.394 2.851 40 0 EFABLO Cc1cccc2[nH+]c(CNC(=O)N[C@H](C)CCc3cccn3C)cn21 ZINC000096440606 473418922 /nfs/dbraw/zinc/41/89/22/473418922.db2.gz ZTTVEJKOTZOPHM-CQSZACIVSA-N 1 2 339.443 2.802 40 0 EFABLO Cc1cnc(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)o1 ZINC000096441365 473420367 /nfs/dbraw/zinc/42/03/67/473420367.db2.gz QJUKAEKQCIIHJO-UHFFFAOYSA-N 1 2 342.395 2.849 40 0 EFABLO COc1ccncc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000096446528 473423629 /nfs/dbraw/zinc/42/36/29/473423629.db2.gz OLSGDRIPHZIRTK-INIZCTEOSA-N 1 2 329.375 2.832 40 0 EFABLO COc1ccncc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000096446528 473423634 /nfs/dbraw/zinc/42/36/34/473423634.db2.gz OLSGDRIPHZIRTK-INIZCTEOSA-N 1 2 329.375 2.832 40 0 EFABLO O=C(NCC1CCC2(CC1)OCCO2)c1ccc(-n2cc[nH+]c2)cc1 ZINC000096446866 473425074 /nfs/dbraw/zinc/42/50/74/473425074.db2.gz CHUUGVHGJLQLGD-UHFFFAOYSA-N 1 2 341.411 2.535 40 0 EFABLO COc1ccc(/C(C)=C/C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000096454239 473430236 /nfs/dbraw/zinc/43/02/36/473430236.db2.gz HWRKKJSMIWOOMF-RVDMUPIBSA-N 1 2 348.406 2.996 40 0 EFABLO Cc1cc(C(=O)N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)oc1C ZINC000096480720 473440741 /nfs/dbraw/zinc/44/07/41/473440741.db2.gz HYFADENJGYHMBC-PKOBYXMFSA-N 1 2 340.423 2.622 40 0 EFABLO Cc1cc(C(=O)N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)oc1C ZINC000096480720 473440746 /nfs/dbraw/zinc/44/07/46/473440746.db2.gz HYFADENJGYHMBC-PKOBYXMFSA-N 1 2 340.423 2.622 40 0 EFABLO Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)oc1C ZINC000096480722 473441374 /nfs/dbraw/zinc/44/13/74/473441374.db2.gz HYFADENJGYHMBC-MJGOQNOKSA-N 1 2 340.423 2.622 40 0 EFABLO Cc1cc(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)oc1C ZINC000096480722 473441380 /nfs/dbraw/zinc/44/13/80/473441380.db2.gz HYFADENJGYHMBC-MJGOQNOKSA-N 1 2 340.423 2.622 40 0 EFABLO Nc1nc(NC[C@@H]2CCN(CC(F)(F)F)C2)[nH+]c2ccccc12 ZINC000096486620 473445211 /nfs/dbraw/zinc/44/52/11/473445211.db2.gz RAZKQGSMDXXGBP-JTQLQIEISA-N 1 2 325.338 2.508 40 0 EFABLO CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000096490648 473445567 /nfs/dbraw/zinc/44/55/67/473445567.db2.gz LLWXRLZTRCYQPZ-HNNXBMFYSA-N 1 2 349.500 2.876 40 0 EFABLO CCCS(=O)(=O)CC[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000096490648 473445572 /nfs/dbraw/zinc/44/55/72/473445572.db2.gz LLWXRLZTRCYQPZ-HNNXBMFYSA-N 1 2 349.500 2.876 40 0 EFABLO CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000096490648 473445579 /nfs/dbraw/zinc/44/55/79/473445579.db2.gz LLWXRLZTRCYQPZ-HNNXBMFYSA-N 1 2 349.500 2.876 40 0 EFABLO CCCS(=O)(=O)CC[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000096490648 473445588 /nfs/dbraw/zinc/44/55/88/473445588.db2.gz LLWXRLZTRCYQPZ-HNNXBMFYSA-N 1 2 349.500 2.876 40 0 EFABLO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2nnc3n2CCCCC3)n1 ZINC000096489551 473446431 /nfs/dbraw/zinc/44/64/31/473446431.db2.gz UDVZBRMZPWVPRZ-HNNXBMFYSA-N 1 2 327.432 2.751 40 0 EFABLO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2c2nnc3n2CCCCC3)n1 ZINC000096489551 473446437 /nfs/dbraw/zinc/44/64/37/473446437.db2.gz UDVZBRMZPWVPRZ-HNNXBMFYSA-N 1 2 327.432 2.751 40 0 EFABLO Cc1noc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000096491761 473447923 /nfs/dbraw/zinc/44/79/23/473447923.db2.gz AVSCGKDIHSMAJO-GFCCVEGCSA-N 1 2 337.383 2.876 40 0 EFABLO CO[C@H](C(=O)Nc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000096500430 473453189 /nfs/dbraw/zinc/45/31/89/473453189.db2.gz JXTLSQPSJPXWBY-IBGZPJMESA-N 1 2 340.423 2.845 40 0 EFABLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000169332760 473547934 /nfs/dbraw/zinc/54/79/34/473547934.db2.gz SRIVGZHREQECBQ-KFWWJZLASA-N 1 2 349.450 2.589 40 0 EFABLO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000169332760 473547939 /nfs/dbraw/zinc/54/79/39/473547939.db2.gz SRIVGZHREQECBQ-KFWWJZLASA-N 1 2 349.450 2.589 40 0 EFABLO C[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCS1 ZINC000192235950 473653686 /nfs/dbraw/zinc/65/36/86/473653686.db2.gz GJNIDNYUAUZOSM-HNNXBMFYSA-N 1 2 344.484 2.968 40 0 EFABLO Fc1cc(CNc2cc(N3CCCC3)nc[nH+]2)c2c(c1)COCO2 ZINC000192300334 473666183 /nfs/dbraw/zinc/66/61/83/473666183.db2.gz NYEZDNVBSVRVEU-UHFFFAOYSA-N 1 2 330.363 2.695 40 0 EFABLO Fc1cc(CNc2cc(N3CCCC3)[nH+]cn2)c2c(c1)COCO2 ZINC000192300334 473666187 /nfs/dbraw/zinc/66/61/87/473666187.db2.gz NYEZDNVBSVRVEU-UHFFFAOYSA-N 1 2 330.363 2.695 40 0 EFABLO CCCS(=O)(=O)NC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000180021236 473778546 /nfs/dbraw/zinc/77/85/46/473778546.db2.gz ZETUWIZKUXUFLE-UHFFFAOYSA-N 1 2 348.871 2.773 40 0 EFABLO O=C(NCCn1cc[nH+]c1)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000281979906 473904681 /nfs/dbraw/zinc/90/46/81/473904681.db2.gz GCZJNTSEFLELEQ-UHFFFAOYSA-N 1 2 346.284 2.785 40 0 EFABLO O=C1C[C@H]([NH+]2CCC(c3ccsc3)CC2)C(=O)N1CC(F)(F)F ZINC000195247859 474039771 /nfs/dbraw/zinc/03/97/71/474039771.db2.gz FQOVEFSPRZUGAZ-LBPRGKRZSA-N 1 2 346.374 2.617 40 0 EFABLO CCc1csc([C@H]2CCCN(c3[nH+]cnc4c3cnn4C)C2)n1 ZINC000195313620 474056178 /nfs/dbraw/zinc/05/61/78/474056178.db2.gz ZHWPYESDBPQVGR-NSHDSACASA-N 1 2 328.445 2.766 40 0 EFABLO C[C@H]1C[N@H+](CCSc2nnc(Cc3ccccc3F)o2)CCO1 ZINC000188311789 474056358 /nfs/dbraw/zinc/05/63/58/474056358.db2.gz LRGVWJZPBDZPNK-LBPRGKRZSA-N 1 2 337.420 2.612 40 0 EFABLO C[C@H]1C[N@@H+](CCSc2nnc(Cc3ccccc3F)o2)CCO1 ZINC000188311789 474056362 /nfs/dbraw/zinc/05/63/62/474056362.db2.gz LRGVWJZPBDZPNK-LBPRGKRZSA-N 1 2 337.420 2.612 40 0 EFABLO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000195558073 474095722 /nfs/dbraw/zinc/09/57/22/474095722.db2.gz LCCNHMUEAYWTSH-YCPHGPKFSA-N 1 2 342.361 2.534 40 0 EFABLO CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000195558073 474095725 /nfs/dbraw/zinc/09/57/25/474095725.db2.gz LCCNHMUEAYWTSH-YCPHGPKFSA-N 1 2 342.361 2.534 40 0 EFABLO O=C(OCc1cnc(-c2ccco2)o1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000195568069 474097356 /nfs/dbraw/zinc/09/73/56/474097356.db2.gz ZIAVXNSTUXHGFH-UHFFFAOYSA-N 1 2 336.307 2.872 40 0 EFABLO Fc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2COCC1CCOCC1 ZINC000247496555 474165719 /nfs/dbraw/zinc/16/57/19/474165719.db2.gz DDTKEGBAQJOGBX-SFHVURJKSA-N 1 2 349.446 2.860 40 0 EFABLO Fc1cccnc1OCC[C@H]1CCOC12C[NH+](Cc1ccco1)C2 ZINC000247506383 474167645 /nfs/dbraw/zinc/16/76/45/474167645.db2.gz HBPUDPNUIGLZRX-AWEZNQCLSA-N 1 2 332.375 2.874 40 0 EFABLO C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247539117 474176004 /nfs/dbraw/zinc/17/60/04/474176004.db2.gz JXAMMBLCQASEFJ-HLLBOEOZSA-N 1 2 337.431 2.503 40 0 EFABLO C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247539117 474176007 /nfs/dbraw/zinc/17/60/07/474176007.db2.gz JXAMMBLCQASEFJ-HLLBOEOZSA-N 1 2 337.431 2.503 40 0 EFABLO C[C@@H](c1nnnn1-c1ccccc1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247539117 474176011 /nfs/dbraw/zinc/17/60/11/474176011.db2.gz JXAMMBLCQASEFJ-HLLBOEOZSA-N 1 2 337.431 2.503 40 0 EFABLO CCc1ccc(NC(=O)Nc2c[nH+]c(N(C)C)nc2N(C)C)cc1 ZINC000224140843 474195346 /nfs/dbraw/zinc/19/53/46/474195346.db2.gz OGYLQKHGNGRXTF-UHFFFAOYSA-N 1 2 328.420 2.815 40 0 EFABLO COc1ccc(Cl)cc1C(=O)Nc1c[nH+]c(N(C)C)nc1N(C)C ZINC000224349963 474196321 /nfs/dbraw/zinc/19/63/21/474196321.db2.gz QCWOYJGSSVSVGR-UHFFFAOYSA-N 1 2 349.822 2.523 40 0 EFABLO CN(C)c1nc(N(C)C)c(NC(=O)CCCc2ccccc2)c[nH+]1 ZINC000224349516 474196756 /nfs/dbraw/zinc/19/67/56/474196756.db2.gz KIUFKXHBGFBEMU-UHFFFAOYSA-N 1 2 327.432 2.570 40 0 EFABLO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000225394555 474208532 /nfs/dbraw/zinc/20/85/32/474208532.db2.gz BOEZALSVRLMWQS-NSHDSACASA-N 1 2 329.238 2.779 40 0 EFABLO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000225394555 474208540 /nfs/dbraw/zinc/20/85/40/474208540.db2.gz BOEZALSVRLMWQS-NSHDSACASA-N 1 2 329.238 2.779 40 0 EFABLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000225394511 474209573 /nfs/dbraw/zinc/20/95/73/474209573.db2.gz BOEZALSVRLMWQS-LLVKDONJSA-N 1 2 329.238 2.779 40 0 EFABLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000225394511 474209581 /nfs/dbraw/zinc/20/95/81/474209581.db2.gz BOEZALSVRLMWQS-LLVKDONJSA-N 1 2 329.238 2.779 40 0 EFABLO COCCn1c(SCc2cccc(N)[nH+]2)nnc1-c1ccccc1 ZINC000225449498 474213601 /nfs/dbraw/zinc/21/36/01/474213601.db2.gz ULFYTDBSBKBFJZ-UHFFFAOYSA-N 1 2 341.440 2.861 40 0 EFABLO COC[C@@H]1CN(C(=O)Cc2csc3ccccc23)Cc2c[nH+]cn21 ZINC000247839894 474215463 /nfs/dbraw/zinc/21/54/63/474215463.db2.gz KMCLRSMXBCZYSR-HNNXBMFYSA-N 1 2 341.436 2.870 40 0 EFABLO O=C(CC1CCCC1)N1Cc2c[nH+]cn2[C@H](COc2ccccn2)C1 ZINC000247865894 474218549 /nfs/dbraw/zinc/21/85/49/474218549.db2.gz OOBMDAFNUWQIJS-KRWDZBQOSA-N 1 2 340.427 2.821 40 0 EFABLO Cc1cc2ccccc2n1CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000225522627 474221416 /nfs/dbraw/zinc/22/14/16/474221416.db2.gz LRGGKSLNPZNJMS-INIZCTEOSA-N 1 2 336.439 2.903 40 0 EFABLO Cc1cc2ccccc2n1CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000225522627 474221421 /nfs/dbraw/zinc/22/14/21/474221421.db2.gz LRGGKSLNPZNJMS-INIZCTEOSA-N 1 2 336.439 2.903 40 0 EFABLO COc1ccc(NC(=S)NCCCn2cc[nH+]c2)c2cccnc12 ZINC000225522562 474221584 /nfs/dbraw/zinc/22/15/84/474221584.db2.gz LCEPUPVIPVDTSP-UHFFFAOYSA-N 1 2 341.440 2.817 40 0 EFABLO CSc1ccc(C[NH+]2CCN(Cc3ccc(CO)o3)CC2)cc1 ZINC000225534981 474222227 /nfs/dbraw/zinc/22/22/27/474222227.db2.gz BMCIJXDDLAMKPN-UHFFFAOYSA-N 1 2 332.469 2.812 40 0 EFABLO CSc1ccc(CN2CC[NH+](Cc3ccc(CO)o3)CC2)cc1 ZINC000225534981 474222233 /nfs/dbraw/zinc/22/22/33/474222233.db2.gz BMCIJXDDLAMKPN-UHFFFAOYSA-N 1 2 332.469 2.812 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3COCc2ccncc2)n1 ZINC000247886749 474222182 /nfs/dbraw/zinc/22/21/82/474222182.db2.gz UCWZTUIPFJKLRV-SFHVURJKSA-N 1 2 339.439 2.593 40 0 EFABLO COc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CCO3)c1 ZINC000247911935 474224504 /nfs/dbraw/zinc/22/45/04/474224504.db2.gz UXVOFHQBLDTCRI-GOSISDBHSA-N 1 2 340.423 2.903 40 0 EFABLO Cc1cncc(CO[C@H]2CCOC3(C[NH+](Cc4ccco4)C3)C2)c1 ZINC000247944724 474229633 /nfs/dbraw/zinc/22/96/33/474229633.db2.gz VZDFGTIXUOQBEO-KRWDZBQOSA-N 1 2 328.412 2.933 40 0 EFABLO Cc1ncsc1CN1CC2(C1)OCC[C@H]2CCNc1cccc[nH+]1 ZINC000248075298 474257708 /nfs/dbraw/zinc/25/77/08/474257708.db2.gz ZPVCYTKQIGNJQZ-OAHLLOKOSA-N 1 2 344.484 2.940 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](CNC(=O)c4ccco4)CC[C@@H]32)o1 ZINC000248115911 474261000 /nfs/dbraw/zinc/26/10/00/474261000.db2.gz SJHIGZIRBYYGOT-QILLFSRXSA-N 1 2 344.411 2.590 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@@H]3[C@H](CNC(=O)c4ccco4)CC[C@@H]32)o1 ZINC000248115911 474261007 /nfs/dbraw/zinc/26/10/07/474261007.db2.gz SJHIGZIRBYYGOT-QILLFSRXSA-N 1 2 344.411 2.590 40 0 EFABLO Cc1cn2c(CN3CC[NH+](Cc4cccnc4)CC3)c(C)nc2s1 ZINC000183664617 474407331 /nfs/dbraw/zinc/40/73/31/474407331.db2.gz QNRVUGWQTWIJOA-UHFFFAOYSA-N 1 2 341.484 2.725 40 0 EFABLO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1nc(C(C)(C)C)cs1 ZINC000184475364 474521491 /nfs/dbraw/zinc/52/14/91/474521491.db2.gz DJQZVKKRMMHTOC-WCQYABFASA-N 1 2 347.488 2.630 40 0 EFABLO Cc1ccc2nc([C@H]3CCC[N@H+](Cc4ncnn4CCF)C3)[nH]c2c1 ZINC000240569376 474550343 /nfs/dbraw/zinc/55/03/43/474550343.db2.gz HABUCWHKKSNKDH-AWEZNQCLSA-N 1 2 342.422 2.812 40 0 EFABLO Cc1ccc2nc([C@H]3CCC[N@@H+](Cc4ncnn4CCF)C3)[nH]c2c1 ZINC000240569376 474550347 /nfs/dbraw/zinc/55/03/47/474550347.db2.gz HABUCWHKKSNKDH-AWEZNQCLSA-N 1 2 342.422 2.812 40 0 EFABLO Cc1ccc2[nH]c([C@H]3CCC[N@H+](Cc4ncnn4CCF)C3)nc2c1 ZINC000240569376 474550354 /nfs/dbraw/zinc/55/03/54/474550354.db2.gz HABUCWHKKSNKDH-AWEZNQCLSA-N 1 2 342.422 2.812 40 0 EFABLO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](Cc4ncnn4CCF)C3)nc2c1 ZINC000240569376 474550359 /nfs/dbraw/zinc/55/03/59/474550359.db2.gz HABUCWHKKSNKDH-AWEZNQCLSA-N 1 2 342.422 2.812 40 0 EFABLO Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)N(C)C3CCCC3)CC2)no1 ZINC000241644661 474557223 /nfs/dbraw/zinc/55/72/23/474557223.db2.gz PSNOVEAQQIMCFU-OAHLLOKOSA-N 1 2 349.479 2.659 40 0 EFABLO Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)N(C)C3CCCC3)CC2)no1 ZINC000241644661 474557234 /nfs/dbraw/zinc/55/72/34/474557234.db2.gz PSNOVEAQQIMCFU-OAHLLOKOSA-N 1 2 349.479 2.659 40 0 EFABLO O=C(/C=C/c1ccoc1)NC[C@H](c1ccoc1)[NH+]1CCSCC1 ZINC000245020839 474569768 /nfs/dbraw/zinc/56/97/68/474569768.db2.gz MJTNJXXLMDQOIW-MRXNPFEDSA-N 1 2 332.425 2.792 40 0 EFABLO CCc1nc([C@@H](C)[NH2+]CC(=O)N2CCc3ccccc3C2)cs1 ZINC000184701365 474589713 /nfs/dbraw/zinc/58/97/13/474589713.db2.gz XSSPEPOKBGGRBC-CYBMUJFWSA-N 1 2 329.469 2.941 40 0 EFABLO c1ccc([C@@H]2OCC[C@@H]2Nc2cc(N3CCSCC3)nc[nH+]2)cc1 ZINC000277704940 474593442 /nfs/dbraw/zinc/59/34/42/474593442.db2.gz GTQHUPQUAIHLQZ-YJBOKZPZSA-N 1 2 342.468 2.972 40 0 EFABLO c1ccc([C@@H]2OCC[C@@H]2Nc2cc(N3CCSCC3)[nH+]cn2)cc1 ZINC000277704940 474593447 /nfs/dbraw/zinc/59/34/47/474593447.db2.gz GTQHUPQUAIHLQZ-YJBOKZPZSA-N 1 2 342.468 2.972 40 0 EFABLO CS[C@@H]1CC[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3ccccn3)CC2)C1 ZINC000252585389 474699421 /nfs/dbraw/zinc/69/94/21/474699421.db2.gz IFYCCWPZGQRZMG-BZUAXINKSA-N 1 2 348.516 2.754 40 0 EFABLO O=C(Cc1ccc(F)cc1)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000253401130 474738156 /nfs/dbraw/zinc/73/81/56/474738156.db2.gz MNEOYIGDXVEAEF-MRXNPFEDSA-N 1 2 348.443 2.868 40 0 EFABLO O=C(NC[C@@H](c1ccco1)[NH+]1CCSCC1)c1cc(C2CC2)on1 ZINC000253403113 474739707 /nfs/dbraw/zinc/73/97/07/474739707.db2.gz PIYMETWKFMWSLY-AWEZNQCLSA-N 1 2 347.440 2.665 40 0 EFABLO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ncnn3C(C)C)ccc2NC1=O ZINC000253430609 474756281 /nfs/dbraw/zinc/75/62/81/474756281.db2.gz FLELBLJFYXUVBT-SWLSCSKDSA-N 1 2 343.431 2.819 40 0 EFABLO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCN3c3cccc[nH+]3)CC2)no1 ZINC000306126994 474806616 /nfs/dbraw/zinc/80/66/16/474806616.db2.gz FLFGNMVWHJCMTB-GDBMZVCRSA-N 1 2 326.400 2.509 40 0 EFABLO CC(=O)N1Cc2ccccc2[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000306129708 474807252 /nfs/dbraw/zinc/80/72/52/474807252.db2.gz IKPIAMYDWSZOPW-LJQANCHMSA-N 1 2 332.407 2.820 40 0 EFABLO Cc1ccc(C[N@H+]2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)s1 ZINC000306128061 474807947 /nfs/dbraw/zinc/80/79/47/474807947.db2.gz GPBGJZKXVKOSJV-HNNXBMFYSA-N 1 2 341.440 2.506 40 0 EFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3C[C@@H](Oc3ncccn3)C2)s1 ZINC000306128061 474807954 /nfs/dbraw/zinc/80/79/54/474807954.db2.gz GPBGJZKXVKOSJV-HNNXBMFYSA-N 1 2 341.440 2.506 40 0 EFABLO O=C(C1CC1)N1CCC2(CCc3[nH+]cc(-c4ccncc4)n3C2)CC1 ZINC000306133676 474808977 /nfs/dbraw/zinc/80/89/77/474808977.db2.gz MSNFPOAIRSYLGS-UHFFFAOYSA-N 1 2 336.439 2.910 40 0 EFABLO O=C(Cc1ccco1)N1CC[C@@]2(Cc3[nH+]cc(-c4cccnc4)n3C2)C1 ZINC000306139865 474812465 /nfs/dbraw/zinc/81/24/65/474812465.db2.gz UCWWMYMSGCAHMY-HXUWFJFHSA-N 1 2 348.406 2.556 40 0 EFABLO Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CC[N@@H+](C)Cc1cccnc1 ZINC000257223160 474925920 /nfs/dbraw/zinc/92/59/20/474925920.db2.gz DWECFYZURXIPJM-QGZVFWFLSA-N 1 2 341.459 2.689 40 0 EFABLO Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CC[N@H+](C)Cc1cccnc1 ZINC000257223160 474925927 /nfs/dbraw/zinc/92/59/27/474925927.db2.gz DWECFYZURXIPJM-QGZVFWFLSA-N 1 2 341.459 2.689 40 0 EFABLO c1ncc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)[nH]1 ZINC000257285559 474932197 /nfs/dbraw/zinc/93/21/97/474932197.db2.gz PHTCHXFJNXQILM-OALUTQOASA-N 1 2 327.428 2.750 40 0 EFABLO c1ncc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)[nH]1 ZINC000257285559 474932205 /nfs/dbraw/zinc/93/22/05/474932205.db2.gz PHTCHXFJNXQILM-OALUTQOASA-N 1 2 327.428 2.750 40 0 EFABLO CN(C)c1cc([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)ccn1 ZINC000257286697 474932626 /nfs/dbraw/zinc/93/26/26/474932626.db2.gz PMPQDQZOUWJMGL-QGZVFWFLSA-N 1 2 341.459 2.531 40 0 EFABLO Cc1c[nH]c(-c2cc(C)nc([C@H]3CCCN3c3cc[nH+]c(C)n3)n2)n1 ZINC000257290176 474933945 /nfs/dbraw/zinc/93/39/45/474933945.db2.gz QBWSYWBRTLCFMH-OAHLLOKOSA-N 1 2 335.415 2.923 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)c2sc(C)nc2C)CC[N@@H+]1C ZINC000257290720 474934887 /nfs/dbraw/zinc/93/48/87/474934887.db2.gz QEAYHVOUIGGESY-OAHLLOKOSA-N 1 2 345.468 2.897 40 0 EFABLO COc1ccccc1[C@H]1CN(C(=O)c2sc(C)nc2C)CC[N@H+]1C ZINC000257290720 474934897 /nfs/dbraw/zinc/93/48/97/474934897.db2.gz QEAYHVOUIGGESY-OAHLLOKOSA-N 1 2 345.468 2.897 40 0 EFABLO CNc1cncc([C@@H]2CCC[N@@H+]2Cc2c(C)nc3sccn23)n1 ZINC000257294360 474936460 /nfs/dbraw/zinc/93/64/60/474936460.db2.gz QTTFQNWJXCLZRQ-ZDUSSCGKSA-N 1 2 328.445 2.873 40 0 EFABLO CNc1cncc([C@@H]2CCC[N@H+]2Cc2c(C)nc3sccn23)n1 ZINC000257294360 474936467 /nfs/dbraw/zinc/93/64/67/474936467.db2.gz QTTFQNWJXCLZRQ-ZDUSSCGKSA-N 1 2 328.445 2.873 40 0 EFABLO Cc1nc2ccccc2n1CC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257298324 474938496 /nfs/dbraw/zinc/93/84/96/474938496.db2.gz RLFKRCFGLPNCHV-INIZCTEOSA-N 1 2 349.438 2.525 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc(C)c(C)[nH]c2=O)cc[nH+]1 ZINC000257295881 474938865 /nfs/dbraw/zinc/93/88/65/474938865.db2.gz RAGNVAZXOAJAEW-HNNXBMFYSA-N 1 2 326.400 2.818 40 0 EFABLO Cn1cncc1-c1nccnc1CC1CCN(c2cccc[nH+]2)CC1 ZINC000257301531 474942330 /nfs/dbraw/zinc/94/23/30/474942330.db2.gz RYWMHQKKWJBVRK-UHFFFAOYSA-N 1 2 334.427 2.731 40 0 EFABLO Cc1ccc2nc(C(=O)N3CC[N@@H+](C)[C@@H](c4ccccc4)C3)cn2c1 ZINC000257302361 474943434 /nfs/dbraw/zinc/94/34/34/474943434.db2.gz SCPLBIHTAOQLLH-GOSISDBHSA-N 1 2 334.423 2.772 40 0 EFABLO Cc1ccc2nc(C(=O)N3CC[N@H+](C)[C@@H](c4ccccc4)C3)cn2c1 ZINC000257302361 474943441 /nfs/dbraw/zinc/94/34/41/474943441.db2.gz SCPLBIHTAOQLLH-GOSISDBHSA-N 1 2 334.423 2.772 40 0 EFABLO CC(C)C(=O)N1CCC(Cc2cccc(-c3c[nH+]cn3C)n2)CC1 ZINC000257309596 474945182 /nfs/dbraw/zinc/94/51/82/474945182.db2.gz UBNGKZOYFBAEBZ-UHFFFAOYSA-N 1 2 326.444 2.919 40 0 EFABLO CN(C(=O)c1noc2c1CCCC2)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257311503 474946909 /nfs/dbraw/zinc/94/69/09/474946909.db2.gz UJTUBKAISRFPPX-CQSZACIVSA-N 1 2 340.427 2.689 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)cc[nH+]1 ZINC000257315787 474949591 /nfs/dbraw/zinc/94/95/91/474949591.db2.gz VCTHLQGLFMRJMW-HNNXBMFYSA-N 1 2 337.427 2.811 40 0 EFABLO Cn1c[nH+]cc1-c1cc([C@H]2CCCN2C(=O)c2ccccn2)ccn1 ZINC000257317213 474950089 /nfs/dbraw/zinc/95/00/89/474950089.db2.gz VIVLKRIQHXNCLA-QGZVFWFLSA-N 1 2 333.395 2.854 40 0 EFABLO Cc1ccc(Nc2nccc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)nc1 ZINC000257317747 474951456 /nfs/dbraw/zinc/95/14/56/474951456.db2.gz VKYMLDHYEGZXQW-AWEZNQCLSA-N 1 2 335.415 2.636 40 0 EFABLO Cc1ccc(Nc2nccc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)nc1 ZINC000257317747 474951465 /nfs/dbraw/zinc/95/14/65/474951465.db2.gz VKYMLDHYEGZXQW-AWEZNQCLSA-N 1 2 335.415 2.636 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](c2cnccn2)C1 ZINC000257320665 474951789 /nfs/dbraw/zinc/95/17/89/474951789.db2.gz VXVUXJJHWFJNGO-OAHLLOKOSA-N 1 2 335.411 2.541 40 0 EFABLO COc1ccc(C)cc1CC(=O)N1CCC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257320319 474952208 /nfs/dbraw/zinc/95/22/08/474952208.db2.gz VWFWYYXIUXKWBR-OAHLLOKOSA-N 1 2 327.428 2.984 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cn4c(cccc4C)n3)C2)[nH+]1 ZINC000257324517 474954737 /nfs/dbraw/zinc/95/47/37/474954737.db2.gz WPAWUQCYRKVSCB-OAHLLOKOSA-N 1 2 337.427 2.704 40 0 EFABLO Cc1nc(C[N@@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)cs1 ZINC000257324222 474955942 /nfs/dbraw/zinc/95/59/42/474955942.db2.gz WNSPLYMZWHVUQN-OAHLLOKOSA-N 1 2 342.468 2.790 40 0 EFABLO Cc1nc(C[N@H+]2CCOC[C@H](Cc3nccn4cccc34)C2)cs1 ZINC000257324222 474955947 /nfs/dbraw/zinc/95/59/47/474955947.db2.gz WNSPLYMZWHVUQN-OAHLLOKOSA-N 1 2 342.468 2.790 40 0 EFABLO Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCCC3)[nH+]1 ZINC000257329652 474956496 /nfs/dbraw/zinc/95/64/96/474956496.db2.gz XKVSZIWLEYIYNT-INIZCTEOSA-N 1 2 340.427 2.685 40 0 EFABLO COc1ncccc1C(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257330651 474956857 /nfs/dbraw/zinc/95/68/57/474956857.db2.gz XPICXMNDQKNYJO-OAHLLOKOSA-N 1 2 326.400 2.529 40 0 EFABLO COc1ncccc1C(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257330650 474957862 /nfs/dbraw/zinc/95/78/62/474957862.db2.gz XPICXMNDQKNYJO-HNNXBMFYSA-N 1 2 326.400 2.529 40 0 EFABLO Cc1nc(CC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)cs1 ZINC000257328745 474957906 /nfs/dbraw/zinc/95/79/06/474957906.db2.gz XGXMRKXACMRPQY-HNNXBMFYSA-N 1 2 330.457 2.819 40 0 EFABLO CC(=O)N1CCN(Cc2[nH+]ccn2C(C)C)C[C@@H]1c1ccccc1 ZINC000257344626 474965385 /nfs/dbraw/zinc/96/53/85/474965385.db2.gz ZYBCXEJEAJLFMT-GOSISDBHSA-N 1 2 326.444 2.869 40 0 EFABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2CC ZINC000261365895 474973440 /nfs/dbraw/zinc/97/34/40/474973440.db2.gz WBWWLNKNUXIJFC-AWEZNQCLSA-O 1 2 345.448 2.914 40 0 EFABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2C ZINC000261364725 474973646 /nfs/dbraw/zinc/97/36/46/474973646.db2.gz NEFUBKYPKDVBOL-JTQLQIEISA-O 1 2 331.421 2.524 40 0 EFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2CC ZINC000261363521 474973981 /nfs/dbraw/zinc/97/39/81/474973981.db2.gz HIGMQHKPLFEOHZ-CYBMUJFWSA-O 1 2 331.421 2.524 40 0 EFABLO COc1cc(NCc2cccc(C(N)=O)c2)[nH+]cc1Br ZINC000330032407 475188570 /nfs/dbraw/zinc/18/85/70/475188570.db2.gz MSCSLDDCOHUEMZ-UHFFFAOYSA-N 1 2 336.189 3.348 40 0 EFABLO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)c1nnc(C2CC2)o1 ZINC000333405122 475927247 /nfs/dbraw/zinc/92/72/47/475927247.db2.gz FOVBUNGJOMWJHD-CYBMUJFWSA-N 1 2 334.445 2.518 40 0 EFABLO OC[C@H]1CCCN1c1cc(N2Cc3ccc(Cl)cc3C2)nc[nH+]1 ZINC000334112945 476117358 /nfs/dbraw/zinc/11/73/58/476117358.db2.gz DOOAYABXRNPJFM-OAHLLOKOSA-N 1 2 330.819 2.611 40 0 EFABLO OC[C@H]1CCCN1c1cc(N2Cc3ccc(Cl)cc3C2)[nH+]cn1 ZINC000334112945 476117368 /nfs/dbraw/zinc/11/73/68/476117368.db2.gz DOOAYABXRNPJFM-OAHLLOKOSA-N 1 2 330.819 2.611 40 0 EFABLO COc1cccc2c1CC[C@H]2NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000366027886 476824120 /nfs/dbraw/zinc/82/41/20/476824120.db2.gz CODHWTLAUOTNBG-CZUORRHYSA-N 1 2 340.427 2.995 40 0 EFABLO Cc1nc2cc(C(=O)N3CCN(c4cccc[nH+]4)CC3)ccc2s1 ZINC000408981048 476975177 /nfs/dbraw/zinc/97/51/77/476975177.db2.gz YMSSYXCCOXPORT-UHFFFAOYSA-N 1 2 338.436 2.962 40 0 EFABLO c1cc2n(n1)CC[C@H](COc1ccccn1)[N@@H+](Cc1cccnc1)C2 ZINC000585097131 479281245 /nfs/dbraw/zinc/28/12/45/479281245.db2.gz HQXJPMKWFHRTHF-GOSISDBHSA-N 1 2 335.411 2.527 40 0 EFABLO c1cc2n(n1)CC[C@H](COc1ccccn1)[N@H+](Cc1cccnc1)C2 ZINC000585097131 479281251 /nfs/dbraw/zinc/28/12/51/479281251.db2.gz HQXJPMKWFHRTHF-GOSISDBHSA-N 1 2 335.411 2.527 40 0 EFABLO Fc1cccnc1OC[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccoc1 ZINC000585097648 479281260 /nfs/dbraw/zinc/28/12/60/479281260.db2.gz OWCHMHUAUMKPBN-INIZCTEOSA-N 1 2 342.374 2.864 40 0 EFABLO Fc1cccnc1OC[C@@H]1CCn2nccc2C[N@H+]1Cc1ccoc1 ZINC000585097648 479281265 /nfs/dbraw/zinc/28/12/65/479281265.db2.gz OWCHMHUAUMKPBN-INIZCTEOSA-N 1 2 342.374 2.864 40 0 EFABLO COC[C@@H]1CCn2c[nH+]cc2CN1C(=O)CCc1ccccc1C ZINC000585098309 479281474 /nfs/dbraw/zinc/28/14/74/479281474.db2.gz VVBGPXGXTRIGAL-KRWDZBQOSA-N 1 2 327.428 2.572 40 0 EFABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3COc2cccnc2)cc1 ZINC000585102698 479284691 /nfs/dbraw/zinc/28/46/91/479284691.db2.gz GOYNSHHWDYAJID-QGZVFWFLSA-N 1 2 340.423 2.760 40 0 EFABLO Cc1cccc(CO[C@@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)n1 ZINC000585103998 479285020 /nfs/dbraw/zinc/28/50/20/479285020.db2.gz FHSLUMPTUIMJPH-LJQANCHMSA-N 1 2 339.439 2.735 40 0 EFABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccsc1)C2)c1ccco1 ZINC000585103716 479285092 /nfs/dbraw/zinc/28/50/92/479285092.db2.gz ZDSZJXBPZYOYIS-HNNXBMFYSA-N 1 2 346.452 2.752 40 0 EFABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)n1 ZINC000585104959 479286540 /nfs/dbraw/zinc/28/65/40/479286540.db2.gz MUGCNLGBAIUSMJ-IBGZPJMESA-N 1 2 339.439 2.735 40 0 EFABLO COCc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2C[C@H]2C)CC3)c1 ZINC000585111378 479287399 /nfs/dbraw/zinc/28/73/99/479287399.db2.gz RKZXWJURPUXEGZ-PBHICJAKSA-N 1 2 339.439 2.737 40 0 EFABLO Cc1cccc(C[N@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)c1 ZINC000585112465 479288955 /nfs/dbraw/zinc/28/89/55/479288955.db2.gz RBAAXUWAKFETJH-IBGZPJMESA-N 1 2 338.455 2.761 40 0 EFABLO Cc1cccc(C[N@@H+]2Cc3ccnn3[C@@H](CCN3CCCC3=O)C2)c1 ZINC000585112465 479288961 /nfs/dbraw/zinc/28/89/61/479288961.db2.gz RBAAXUWAKFETJH-IBGZPJMESA-N 1 2 338.455 2.761 40 0 EFABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@@H+]([C@H](C)c1ccccc1)C2 ZINC000585112636 479289442 /nfs/dbraw/zinc/28/94/42/479289442.db2.gz SIZZSRVDURNBGO-UONOGXRCSA-N 1 2 343.427 2.559 40 0 EFABLO COC[C@H](C)NC(=O)c1nc2c(o1)CC[N@H+]([C@H](C)c1ccccc1)C2 ZINC000585112636 479289447 /nfs/dbraw/zinc/28/94/47/479289447.db2.gz SIZZSRVDURNBGO-UONOGXRCSA-N 1 2 343.427 2.559 40 0 EFABLO CNC(=O)C[C@H]1C[N@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000585112959 479289612 /nfs/dbraw/zinc/28/96/12/479289612.db2.gz XBJVCSNLQPLZSB-SFHVURJKSA-N 1 2 334.423 2.729 40 0 EFABLO CNC(=O)C[C@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000585112959 479289615 /nfs/dbraw/zinc/28/96/15/479289615.db2.gz XBJVCSNLQPLZSB-SFHVURJKSA-N 1 2 334.423 2.729 40 0 EFABLO Cc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CCN2CCCC2=O)C1 ZINC000585111864 479289721 /nfs/dbraw/zinc/28/97/21/479289721.db2.gz DGKAEFXZVQSCLC-IBGZPJMESA-N 1 2 338.455 2.761 40 0 EFABLO Cc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CCN2CCCC2=O)C1 ZINC000585111864 479289723 /nfs/dbraw/zinc/28/97/23/479289723.db2.gz DGKAEFXZVQSCLC-IBGZPJMESA-N 1 2 338.455 2.761 40 0 EFABLO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2ncccn2)[C@@H]1C ZINC000585141588 479298903 /nfs/dbraw/zinc/29/89/03/479298903.db2.gz DDVLYRWZHZUYFE-KFWWJZLASA-N 1 2 334.464 2.990 40 0 EFABLO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2ncccn2)[C@@H]1C ZINC000585141588 479298905 /nfs/dbraw/zinc/29/89/05/479298905.db2.gz DDVLYRWZHZUYFE-KFWWJZLASA-N 1 2 334.464 2.990 40 0 EFABLO CN(C(=O)CC1(O)CCCCC1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000585182308 479301560 /nfs/dbraw/zinc/30/15/60/479301560.db2.gz PCNFWXIENDTQCF-MRXNPFEDSA-N 1 2 331.460 2.594 40 0 EFABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc3cc(F)ccc3n2C)[nH+]1 ZINC000585181458 479302431 /nfs/dbraw/zinc/30/24/31/479302431.db2.gz PRGNMZFGMCGCAU-INIZCTEOSA-N 1 2 342.374 2.563 40 0 EFABLO CCCn1ccnc1C[N@@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269493 479304178 /nfs/dbraw/zinc/30/41/78/479304178.db2.gz XBKUKJKNMDJDAV-IBGZPJMESA-N 1 2 329.444 2.699 40 0 EFABLO CCCn1ccnc1C[N@H+]1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269493 479304182 /nfs/dbraw/zinc/30/41/82/479304182.db2.gz XBKUKJKNMDJDAV-IBGZPJMESA-N 1 2 329.444 2.699 40 0 EFABLO CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)on2)[C@H]1Cc1cccc(F)c1 ZINC000585273928 479304642 /nfs/dbraw/zinc/30/46/42/479304642.db2.gz GTOCMWUROAKSTE-OALUTQOASA-N 1 2 345.418 2.834 40 0 EFABLO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)on2)[C@H]1Cc1cccc(F)c1 ZINC000585273928 479304644 /nfs/dbraw/zinc/30/46/44/479304644.db2.gz GTOCMWUROAKSTE-OALUTQOASA-N 1 2 345.418 2.834 40 0 EFABLO Cc1noc(C)c1CCC(=O)N1CC([N@@H+]2CCc3sccc3C2)C1 ZINC000575607587 479452067 /nfs/dbraw/zinc/45/20/67/479452067.db2.gz UYRHMQYRBXIXKN-UHFFFAOYSA-N 1 2 345.468 2.555 40 0 EFABLO Cc1noc(C)c1CCC(=O)N1CC([N@H+]2CCc3sccc3C2)C1 ZINC000575607587 479452071 /nfs/dbraw/zinc/45/20/71/479452071.db2.gz UYRHMQYRBXIXKN-UHFFFAOYSA-N 1 2 345.468 2.555 40 0 EFABLO c1cc2ncnc(N3CC[NH+](Cc4cnc(C5CC5)o4)CC3)c2s1 ZINC000628172078 479797772 /nfs/dbraw/zinc/79/77/72/479797772.db2.gz VPNPTFPGYZLRNL-UHFFFAOYSA-N 1 2 341.440 2.879 40 0 EFABLO CCn1cc(C(=O)N2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cn1 ZINC000646251714 481183007 /nfs/dbraw/zinc/18/30/07/481183007.db2.gz FYFSFTZMCMFQMW-UHFFFAOYSA-N 1 2 337.427 2.874 40 0 EFABLO CC(=O)c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1O ZINC000646602990 481399549 /nfs/dbraw/zinc/39/95/49/481399549.db2.gz OYCBYROXOGHRTJ-GOSISDBHSA-N 1 2 338.407 2.724 40 0 EFABLO CC(=O)c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1O ZINC000646602990 481399558 /nfs/dbraw/zinc/39/95/58/481399558.db2.gz OYCBYROXOGHRTJ-GOSISDBHSA-N 1 2 338.407 2.724 40 0 EFABLO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)c3ccsc3)c2)CC1 ZINC000187139499 526630735 /nfs/dbraw/zinc/63/07/35/526630735.db2.gz ZXTJJFNCLCSOLV-UHFFFAOYSA-N 1 2 343.452 2.665 40 0 EFABLO CCCc1nnsc1C(=O)N(C)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257232892 535551907 /nfs/dbraw/zinc/55/19/07/535551907.db2.gz GMWXCVXQCWDCOC-ZDUSSCGKSA-N 1 2 345.472 2.627 40 0 EFABLO CCc1nnsc1C(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257261663 535865595 /nfs/dbraw/zinc/86/55/95/535865595.db2.gz LIIAFCWUHMMIBB-ZDUSSCGKSA-N 1 2 331.445 2.539 40 0 EFABLO CCn1cc(C(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)c(C)n1 ZINC000257266293 536031163 /nfs/dbraw/zinc/03/11/63/536031163.db2.gz MCIBOZSWDWKJKD-QGZVFWFLSA-N 1 2 335.411 2.805 40 0 EFABLO CC(C)c1ccnc(N2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)n1 ZINC000656546877 546837907 /nfs/dbraw/zinc/83/79/07/546837907.db2.gz AAJQOJZQNINVGN-UHFFFAOYSA-N 1 2 338.459 2.590 40 0 EFABLO Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H]1CCCn2ncnc21 ZINC000585141482 1250171909 /nfs/dbraw/zinc/17/19/09/1250171909.db2.gz WRDPWEVQFBNRLD-HNNXBMFYSA-N 1 2 326.379 2.536 40 0 EFABLO Cc1nsc(N2CC[NH+](Cc3cn(C)nc3C3CCCC3)CC2)n1 ZINC000892115370 715258911 /nfs/dbraw/zinc/25/89/11/715258911.db2.gz OBQSEWOJJWVLCJ-UHFFFAOYSA-N 1 2 346.504 2.560 40 0 EFABLO Cc1ccccc1C(=O)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000056921539 214395593 /nfs/dbraw/zinc/39/55/93/214395593.db2.gz DRIYQQDHYRPLSM-MRXNPFEDSA-N 1 2 330.453 2.548 40 0 EFABLO Cc1cccc(N2CC[NH+](CC(=O)NCc3cccs3)CC2)c1C ZINC000057711383 214442684 /nfs/dbraw/zinc/44/26/84/214442684.db2.gz UWTUJRMIPDLNSH-UHFFFAOYSA-N 1 2 343.496 2.803 40 0 EFABLO COc1ccc(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)cc1 ZINC000004331176 210173751 /nfs/dbraw/zinc/17/37/51/210173751.db2.gz KHDMVUXSKILUTJ-UHFFFAOYSA-N 1 2 340.431 2.824 40 0 EFABLO CN(C)c1[nH+]cccc1N(C)C(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000253431988 282327926 /nfs/dbraw/zinc/32/79/26/282327926.db2.gz ILFAUEPTEDWCER-MGPUTAFESA-N 1 2 337.423 2.851 40 0 EFABLO COc1ccc([C@@H]2CC[N@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)cc1 ZINC000066793529 215079399 /nfs/dbraw/zinc/07/93/99/215079399.db2.gz OEPRIGGHUYVQCE-MRXNPFEDSA-N 1 2 341.455 2.996 40 0 EFABLO COc1ccc([C@@H]2CC[N@@H+](Cn3nc(C(C)(C)C)ccc3=O)C2)cc1 ZINC000066793529 215079401 /nfs/dbraw/zinc/07/94/01/215079401.db2.gz OEPRIGGHUYVQCE-MRXNPFEDSA-N 1 2 341.455 2.996 40 0 EFABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2c[nH]c3ccccc32)CC1 ZINC000038679357 213220910 /nfs/dbraw/zinc/22/09/10/213220910.db2.gz PZLJHNIGWLJJNA-UHFFFAOYSA-N 1 2 338.411 2.731 40 0 EFABLO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2F)[C@H](c2ccccc2)C1 ZINC000036382134 213092714 /nfs/dbraw/zinc/09/27/14/213092714.db2.gz PGRIUYALURDGOM-INIZCTEOSA-N 1 2 334.416 2.503 40 0 EFABLO C[N@H+]1CCN(S(=O)(=O)c2ccccc2F)[C@H](c2ccccc2)C1 ZINC000036382134 213092718 /nfs/dbraw/zinc/09/27/18/213092718.db2.gz PGRIUYALURDGOM-INIZCTEOSA-N 1 2 334.416 2.503 40 0 EFABLO Fc1ccc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)cc1Br ZINC000187520567 236232673 /nfs/dbraw/zinc/23/26/73/236232673.db2.gz GRKJHPCKZZPJJF-CQSZACIVSA-N 1 2 340.196 2.885 40 0 EFABLO Fc1ccc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)cc1Br ZINC000187520567 236232674 /nfs/dbraw/zinc/23/26/74/236232674.db2.gz GRKJHPCKZZPJJF-CQSZACIVSA-N 1 2 340.196 2.885 40 0 EFABLO c1cn(-c2ccc(CSc3nnnn3C3CCOCC3)cc2)c[nH+]1 ZINC000187990920 236372930 /nfs/dbraw/zinc/37/29/30/236372930.db2.gz HDPAPCZNQOEPGH-UHFFFAOYSA-N 1 2 342.428 2.503 40 0 EFABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2cccc(F)c2)c[nH]1 ZINC000072322086 216150175 /nfs/dbraw/zinc/15/01/75/216150175.db2.gz OSEBIACFWVBCSH-INIZCTEOSA-N 1 2 341.390 2.523 40 0 biogenic,in-vitro EFABLO CC(C)c1[nH+]ccn1-c1cncc([C@@H]2CCCN(c3ncccn3)C2)n1 ZINC000072355580 216163631 /nfs/dbraw/zinc/16/36/31/216163631.db2.gz XVHPHCXQLBJQSL-OAHLLOKOSA-N 1 2 349.442 2.960 40 0 EFABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)C2CCC2)n1 ZINC000072378499 216180991 /nfs/dbraw/zinc/18/09/91/216180991.db2.gz COUBDIINZXXIRW-HNNXBMFYSA-N 1 2 325.416 2.688 40 0 EFABLO COCC(=O)N1CCC[C@@H](c2cccc(-n3cc[nH+]c3C(C)C)n2)C1 ZINC000072378913 216181447 /nfs/dbraw/zinc/18/14/47/216181447.db2.gz DSCNTKUYPVHVGD-OAHLLOKOSA-N 1 2 342.443 2.743 40 0 EFABLO Cc1nc(C(=O)N2CCC(c3cccc(-n4cc[nH+]c4)n3)CC2)co1 ZINC000072379261 216181690 /nfs/dbraw/zinc/18/16/90/216181690.db2.gz SFOWPKIOUWKING-UHFFFAOYSA-N 1 2 337.383 2.584 40 0 EFABLO COCCNc1cc([C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)nc(C)n1 ZINC000072387604 216187285 /nfs/dbraw/zinc/18/72/85/216187285.db2.gz RPEFCMCGNKIQOE-GOSISDBHSA-N 1 2 342.443 2.799 40 0 EFABLO COCCNc1cc([C@H]2CC[N@H+]2Cc2ccc(OC)cc2)nc(C)n1 ZINC000072387604 216187286 /nfs/dbraw/zinc/18/72/86/216187286.db2.gz RPEFCMCGNKIQOE-GOSISDBHSA-N 1 2 342.443 2.799 40 0 EFABLO CNc1cc([C@@H]2C[N@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc(C)n1 ZINC000072387855 216188647 /nfs/dbraw/zinc/18/86/47/216188647.db2.gz FSSXFGXEBFRINZ-SFHVURJKSA-N 1 2 337.427 2.882 40 0 EFABLO CNc1cc([C@@H]2C[N@@H+](Cc3ccc4[nH]ccc4c3)CCO2)nc(C)n1 ZINC000072387855 216188651 /nfs/dbraw/zinc/18/86/51/216188651.db2.gz FSSXFGXEBFRINZ-SFHVURJKSA-N 1 2 337.427 2.882 40 0 EFABLO CC(=O)N1CC[NH+](Cc2c3cc(C)cnc3[nH]c2C(F)(F)F)CC1 ZINC000072395400 216192193 /nfs/dbraw/zinc/19/21/93/216192193.db2.gz XVAJGTCPQLSRKQ-UHFFFAOYSA-N 1 2 340.349 2.554 40 0 EFABLO C[C@H](NC(=O)c1ccccc1)[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000023180886 212358440 /nfs/dbraw/zinc/35/84/40/212358440.db2.gz NRUIGOGBFOVETN-WMLDXEAASA-N 1 2 330.453 2.940 40 0 EFABLO CCc1ccccc1NC(=O)N1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000075166364 216594073 /nfs/dbraw/zinc/59/40/73/216594073.db2.gz SIUSVUAEIOWKRP-UHFFFAOYSA-N 1 2 325.416 2.702 40 0 EFABLO COc1cccc([C@H](NC(=O)Nc2cc(C)on2)c2[nH+]ccn2C)c1 ZINC000022357340 212292858 /nfs/dbraw/zinc/29/28/58/212292858.db2.gz UICFODFJSSNFHU-HNNXBMFYSA-N 1 2 341.371 2.636 40 0 EFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257339728 240312999 /nfs/dbraw/zinc/31/29/99/240312999.db2.gz ZCXXRQLTLAMMLB-MRXNPFEDSA-N 1 2 349.438 2.690 40 0 EFABLO CCCCCC(=O)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022266838 212286689 /nfs/dbraw/zinc/28/66/89/212286689.db2.gz GKIPNSNJAPETFS-UHFFFAOYSA-N 1 2 349.500 2.912 40 0 EFABLO CC(C)C[N@@H+]1CCO[C@H](CSc2nc(-c3cccs3)n[nH]2)C1 ZINC000022227503 212282655 /nfs/dbraw/zinc/28/26/55/212282655.db2.gz CAFJUYMSMZTYDL-LBPRGKRZSA-N 1 2 338.502 2.982 40 0 EFABLO CC(C)C[N@H+]1CCO[C@H](CSc2nc(-c3cccs3)n[nH]2)C1 ZINC000022227503 212282659 /nfs/dbraw/zinc/28/26/59/212282659.db2.gz CAFJUYMSMZTYDL-LBPRGKRZSA-N 1 2 338.502 2.982 40 0 EFABLO Cc1cc(N)nc(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)[nH+]1 ZINC000022133192 212279625 /nfs/dbraw/zinc/27/96/25/212279625.db2.gz PAXNYNWANROFQH-NSHDSACASA-N 1 2 334.420 2.646 40 0 EFABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1cccc(F)c1 ZINC000206732752 241050490 /nfs/dbraw/zinc/05/04/90/241050490.db2.gz QGNKYXGXQCHADP-UHFFFAOYSA-N 1 2 329.379 2.534 40 0 EFABLO CC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCCC1 ZINC000225596716 241942748 /nfs/dbraw/zinc/94/27/48/241942748.db2.gz QSFHYAZXOXOLTB-UHFFFAOYSA-N 1 2 332.444 2.916 40 0 EFABLO Cc1cccc(-c2noc(CNC(=S)Nc3cc[nH+]cc3)n2)c1 ZINC000225815641 242049889 /nfs/dbraw/zinc/04/98/89/242049889.db2.gz VLVNZSCQMHUMIX-UHFFFAOYSA-N 1 2 325.397 2.927 40 0 EFABLO CC[C@@H](NC(=S)Nc1cc[nH+]cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000225726054 242004777 /nfs/dbraw/zinc/00/47/77/242004777.db2.gz SQRQKXCVTYNXRE-OAHLLOKOSA-N 1 2 349.481 2.923 40 0 EFABLO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)[C@@H]3COCC[NH2+]3)c2)C1 ZINC000237524684 242676012 /nfs/dbraw/zinc/67/60/12/242676012.db2.gz ZJAGHNLXZHRAQQ-JLSDUUJJSA-N 1 2 332.444 2.709 40 0 EFABLO CCOc1cccc(S(=O)(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000241795511 243003741 /nfs/dbraw/zinc/00/37/41/243003741.db2.gz RZTXPHGPBDLKFO-YOEHRIQHSA-N 1 2 349.456 2.554 40 0 EFABLO COc1ccccc1[C@H](NC(=O)CCc1c[nH+]cn1C)c1ccco1 ZINC000252492738 243802816 /nfs/dbraw/zinc/80/28/16/243802816.db2.gz MUSHKCOWZXJDNE-IBGZPJMESA-N 1 2 339.395 2.860 40 0 EFABLO Cc1ccccc1CS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020490993 212138503 /nfs/dbraw/zinc/13/85/03/212138503.db2.gz BRSGTPKVXTVGNK-UHFFFAOYSA-N 1 2 341.436 2.800 40 0 EFABLO c1csc(C[NH+]2CC3(C2)C[C@H](OCc2ccccn2)CS3)n1 ZINC000253590036 244029918 /nfs/dbraw/zinc/02/99/18/244029918.db2.gz AWBHDTFJFBCRED-AWEZNQCLSA-N 1 2 333.482 2.815 40 0 EFABLO O=C1CCCN1CC[C@@H]1CCOC12C[NH+](Cc1ccccc1Cl)C2 ZINC000253616730 244038902 /nfs/dbraw/zinc/03/89/02/244038902.db2.gz CHFXVOUKKODBHQ-MRXNPFEDSA-N 1 2 348.874 2.943 40 0 EFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC(c2cncc(C)n2)CC1 ZINC000257204523 244131552 /nfs/dbraw/zinc/13/15/52/244131552.db2.gz AVABNEKNGHKAFG-UHFFFAOYSA-N 1 2 349.438 2.690 40 0 EFABLO COc1ccc([C@@H]2CN(Cc3c(C)nn(C)c3C)CC[N@@H+]2C)cc1 ZINC000257202659 244124408 /nfs/dbraw/zinc/12/44/08/244124408.db2.gz AMTXHHMWMFWNIE-IBGZPJMESA-N 1 2 328.460 2.534 40 0 EFABLO COc1ccc([C@@H]2CN(Cc3c(C)nn(C)c3C)CC[N@H+]2C)cc1 ZINC000257202659 244124416 /nfs/dbraw/zinc/12/44/16/244124416.db2.gz AMTXHHMWMFWNIE-IBGZPJMESA-N 1 2 328.460 2.534 40 0 EFABLO c1ccc(C[N@@H+]2CC[C@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000257203352 244125623 /nfs/dbraw/zinc/12/56/23/244125623.db2.gz APPTXBMDZUSAQE-INIZCTEOSA-N 1 2 332.411 3.000 40 0 EFABLO c1ccc(C[N@H+]2CC[C@H](c3ccnc(Nc4ncccn4)n3)C2)cc1 ZINC000257203352 244125629 /nfs/dbraw/zinc/12/56/29/244125629.db2.gz APPTXBMDZUSAQE-INIZCTEOSA-N 1 2 332.411 3.000 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)[nH+]1 ZINC000257203309 244126169 /nfs/dbraw/zinc/12/61/69/244126169.db2.gz APLRZILOOSLVEK-AWEZNQCLSA-N 1 2 345.447 2.574 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)[nH+]1 ZINC000257209228 244144603 /nfs/dbraw/zinc/14/46/03/244144603.db2.gz BPMQZTAPWHYBBA-AWEZNQCLSA-N 1 2 340.427 2.717 40 0 EFABLO CCCn1ccnc1C[N@@H+]1CCC[C@H]1c1ccc(CNC(C)=O)cn1 ZINC000257209962 244146607 /nfs/dbraw/zinc/14/66/07/244146607.db2.gz BSNYJAHKYIBTMU-SFHVURJKSA-N 1 2 341.459 2.661 40 0 EFABLO CCCn1ccnc1C[N@H+]1CCC[C@H]1c1ccc(CNC(C)=O)cn1 ZINC000257209962 244146612 /nfs/dbraw/zinc/14/66/12/244146612.db2.gz BSNYJAHKYIBTMU-SFHVURJKSA-N 1 2 341.459 2.661 40 0 EFABLO Cc1nc(CC(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)cs1 ZINC000257213276 244156866 /nfs/dbraw/zinc/15/68/66/244156866.db2.gz CGVWCXOUNFWEHW-MRXNPFEDSA-N 1 2 338.436 2.974 40 0 EFABLO Cc1ccsc1C[N@@H+]1CCC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257215337 244164001 /nfs/dbraw/zinc/16/40/01/244164001.db2.gz CPQNFGHUEPQOLS-LBPRGKRZSA-N 1 2 339.486 2.563 40 0 EFABLO Cc1ccsc1C[N@H+]1CCC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257215337 244164009 /nfs/dbraw/zinc/16/40/09/244164009.db2.gz CPQNFGHUEPQOLS-LBPRGKRZSA-N 1 2 339.486 2.563 40 0 EFABLO CCn1cc(C[N@@H+]2CCN(C(C)=O)C[C@H]2c2ccccc2)c(C)n1 ZINC000257222271 244189346 /nfs/dbraw/zinc/18/93/46/244189346.db2.gz DSQHTEOUMHMWBB-IBGZPJMESA-N 1 2 326.444 2.617 40 0 EFABLO CCn1cc(C[N@H+]2CCN(C(C)=O)C[C@H]2c2ccccc2)c(C)n1 ZINC000257222271 244189351 /nfs/dbraw/zinc/18/93/51/244189351.db2.gz DSQHTEOUMHMWBB-IBGZPJMESA-N 1 2 326.444 2.617 40 0 EFABLO CNc1cc([C@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)cc[nH+]1 ZINC000257225551 244199638 /nfs/dbraw/zinc/19/96/38/244199638.db2.gz FGSCTRXBJLDOMX-HNNXBMFYSA-N 1 2 328.416 2.677 40 0 EFABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCc2ccccc2C1 ZINC000020238780 212114021 /nfs/dbraw/zinc/11/40/21/212114021.db2.gz JPAZBOPYNZPTKU-UHFFFAOYSA-N 1 2 336.435 2.717 40 0 EFABLO Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)[nH+]1 ZINC000257232161 244217042 /nfs/dbraw/zinc/21/70/42/244217042.db2.gz GJRFSAGUWKUKAM-NSHDSACASA-N 1 2 325.821 2.550 40 0 EFABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCN(C(=O)C(C)(C)C)C3)n2)n1C ZINC000257230339 244211399 /nfs/dbraw/zinc/21/13/99/244211399.db2.gz GBUOHYVRGPAGAY-CQSZACIVSA-N 1 2 341.459 2.623 40 0 EFABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)c1ccnc(C)n1)C2 ZINC000257233665 244219622 /nfs/dbraw/zinc/21/96/22/244219622.db2.gz GQEBNXNNOUEFIN-QGZVFWFLSA-N 1 2 333.395 2.687 40 0 EFABLO CNc1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)cc[nH+]1 ZINC000257233926 244222987 /nfs/dbraw/zinc/22/29/87/244222987.db2.gz GRKDJUGFVSEXOT-HNNXBMFYSA-N 1 2 339.395 2.872 40 0 EFABLO Cc1cnc([C@@H]2CCCN(C(=O)C[N@@H+](C)Cc3cccnc3)C2)s1 ZINC000257241018 244242041 /nfs/dbraw/zinc/24/20/41/244242041.db2.gz HWHNNVTVGOSKJL-MRXNPFEDSA-N 1 2 344.484 2.685 40 0 EFABLO Cc1cnc([C@@H]2CCCN(C(=O)C[N@H+](C)Cc3cccnc3)C2)s1 ZINC000257241018 244242052 /nfs/dbraw/zinc/24/20/52/244242052.db2.gz HWHNNVTVGOSKJL-MRXNPFEDSA-N 1 2 344.484 2.685 40 0 EFABLO Cc1n[nH]c(C)c1CC(=O)N1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257256176 244281138 /nfs/dbraw/zinc/28/11/38/244281138.db2.gz KKJNEXMRMVDBAZ-UHFFFAOYSA-N 1 2 326.444 2.754 40 0 EFABLO O=S(=O)(Cc1ccccc1F)NCc1ccccc1-n1cc[nH+]c1 ZINC000020045297 212096939 /nfs/dbraw/zinc/09/69/39/212096939.db2.gz HXHUJQVRVVNLOT-UHFFFAOYSA-N 1 2 345.399 2.631 40 0 EFABLO O=C(c1ccncc1)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000257268325 244367534 /nfs/dbraw/zinc/36/75/34/244367534.db2.gz MLEIBRPWQXBBNR-INIZCTEOSA-N 1 2 333.395 2.682 40 0 EFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1c1cncc(C)n1 ZINC000257270062 244373031 /nfs/dbraw/zinc/37/30/31/244373031.db2.gz MSPXTQHTUHDZFL-GOSISDBHSA-N 1 2 335.411 2.807 40 0 EFABLO Cc1ccc(C[C@H]2CCC[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]32)[nH+]c1 ZINC000257271066 244377448 /nfs/dbraw/zinc/37/74/48/244377448.db2.gz MWQOBYYDKFTVPJ-JFIYKMOQSA-N 1 2 336.439 2.911 40 0 EFABLO Cc1nc(N2CCC[C@](C)(C(=O)NCc3ccccc3F)C2)cc[nH+]1 ZINC000257261227 244347993 /nfs/dbraw/zinc/34/79/93/244347993.db2.gz LGGKDLXZFHXVNA-IBGZPJMESA-N 1 2 342.418 2.847 40 0 EFABLO CCCn1ccc(C(=O)N2CCC[C@H](c3cc[nH+]c(NC)c3)C2)n1 ZINC000257272385 244384212 /nfs/dbraw/zinc/38/42/12/244384212.db2.gz NCFCZLBAOIUWSA-HNNXBMFYSA-N 1 2 327.432 2.750 40 0 EFABLO c1ncc(C[N@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)[nH]1 ZINC000257274601 244388027 /nfs/dbraw/zinc/38/80/27/244388027.db2.gz NLUPPBMSRMPGOX-OALUTQOASA-N 1 2 327.428 2.750 40 0 EFABLO c1ncc(C[N@@H+]2CC[C@H](OCc3ccccc3)[C@]3(CCCO3)C2)[nH]1 ZINC000257274601 244388032 /nfs/dbraw/zinc/38/80/32/244388032.db2.gz NLUPPBMSRMPGOX-OALUTQOASA-N 1 2 327.428 2.750 40 0 EFABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1C[C@H](C)n1nc(C)cc1C ZINC000019719687 212057160 /nfs/dbraw/zinc/05/71/60/212057160.db2.gz MYIQGGUJWJUYCP-ZDUSSCGKSA-N 1 2 342.403 2.524 40 0 EFABLO Cc1c(C[N@H+](CCO)Cc2cccnc2)cnn1Cc1ccccc1 ZINC000019554495 212040778 /nfs/dbraw/zinc/04/07/78/212040778.db2.gz AOPYPQIFHIOPBH-UHFFFAOYSA-N 1 2 336.439 2.629 40 0 EFABLO Cc1c(C[N@@H+](CCO)Cc2cccnc2)cnn1Cc1ccccc1 ZINC000019554495 212040780 /nfs/dbraw/zinc/04/07/80/212040780.db2.gz AOPYPQIFHIOPBH-UHFFFAOYSA-N 1 2 336.439 2.629 40 0 EFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000019524393 212038044 /nfs/dbraw/zinc/03/80/44/212038044.db2.gz YPHHZWCLMQFHMO-HNNXBMFYSA-N 1 2 326.444 2.799 40 0 EFABLO Cc1csc2c1nc1n(c2=O)CC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000019240322 212009043 /nfs/dbraw/zinc/00/90/43/212009043.db2.gz ZDQXYLWLOVGTCH-UHFFFAOYSA-N 1 2 343.427 2.964 40 0 EFABLO Cc1csc2c1nc1n(c2=O)CC[N@H+](Cc2cccc(F)c2)CC1 ZINC000019240322 212009044 /nfs/dbraw/zinc/00/90/44/212009044.db2.gz ZDQXYLWLOVGTCH-UHFFFAOYSA-N 1 2 343.427 2.964 40 0 EFABLO Cc1csc2c([C@@H]3CCCN(C(=O)c4cnn(C)c4)C3)[nH+]c(C)n12 ZINC000019240457 212008023 /nfs/dbraw/zinc/00/80/23/212008023.db2.gz GKKKBHSNJIZCFP-CYBMUJFWSA-N 1 2 343.456 2.766 40 0 EFABLO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2ccc(C)cc2F)cn1 ZINC000078556748 217076810 /nfs/dbraw/zinc/07/68/10/217076810.db2.gz RVARKAQOABFBTM-UHFFFAOYSA-N 1 2 346.387 2.824 40 0 EFABLO COc1cc[nH+]cc1NC(=O)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000078991215 217167286 /nfs/dbraw/zinc/16/72/86/217167286.db2.gz NJTBCLDJRMPVNS-OAHLLOKOSA-N 1 2 333.294 2.500 40 0 EFABLO Cc1ccccc1-n1cc(C(=O)N[C@H]2CCC[C@H]2n2cc[nH+]c2)cn1 ZINC000078989953 217167902 /nfs/dbraw/zinc/16/79/02/217167902.db2.gz IEKRMCYTPHZITD-FUHWJXTLSA-N 1 2 335.411 2.901 40 0 EFABLO O=C(c1ccc2[nH+]ccn2c1)N(Cc1ccncc1)Cc1cccnc1 ZINC000079048841 217182237 /nfs/dbraw/zinc/18/22/37/217182237.db2.gz IABRONLYBXYDIG-UHFFFAOYSA-N 1 2 343.390 2.967 40 0 EFABLO CC(C)COC[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000079355149 217213170 /nfs/dbraw/zinc/21/31/70/217213170.db2.gz IYUOQTCNHUPTQN-IAGOWNOFSA-N 1 2 348.491 2.531 40 0 EFABLO CC(C)COC[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000079355144 217213578 /nfs/dbraw/zinc/21/35/78/217213578.db2.gz IYUOQTCNHUPTQN-SJORKVTESA-N 1 2 348.491 2.531 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)no1 ZINC000079502363 217236334 /nfs/dbraw/zinc/23/63/34/217236334.db2.gz DHLDMOBPDHNYAH-KRWDZBQOSA-N 1 2 343.427 2.645 40 0 EFABLO Cc1cc(NC(=O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)no1 ZINC000079502363 217236336 /nfs/dbraw/zinc/23/63/36/217236336.db2.gz DHLDMOBPDHNYAH-KRWDZBQOSA-N 1 2 343.427 2.645 40 0 EFABLO CCc1noc(-c2ccc(C)c(NC(=O)NCc3[nH+]ccn3C)c2)n1 ZINC000079831723 217257063 /nfs/dbraw/zinc/25/70/63/217257063.db2.gz ODTLLQCLIIDWQY-UHFFFAOYSA-N 1 2 340.387 2.663 40 0 EFABLO Cc1nnc(-c2ccc(C(=O)N[C@@H]3CCC[C@H]3n3cc[nH+]c3)cc2)o1 ZINC000081418756 217392660 /nfs/dbraw/zinc/39/26/60/217392660.db2.gz JPCDTVRCXBYDJH-HZPDHXFCSA-N 1 2 337.383 2.765 40 0 EFABLO COc1ccc(COC[C@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000012547447 211406514 /nfs/dbraw/zinc/40/65/14/211406514.db2.gz HVUNREKHXSRYFH-MRXNPFEDSA-N 1 2 326.396 2.931 40 0 EFABLO Cn1c2ccccc2[nH+]c1N1CCC(C(=O)Nc2cccnc2)CC1 ZINC000012116341 211295711 /nfs/dbraw/zinc/29/57/11/211295711.db2.gz CXDZRRLGNSPVGT-UHFFFAOYSA-N 1 2 335.411 2.823 40 0 EFABLO CCc1n[nH]c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)c1C ZINC000012147298 211307759 /nfs/dbraw/zinc/30/77/59/211307759.db2.gz NURCLULIPBMRDN-QGZVFWFLSA-N 1 2 344.434 2.987 40 0 EFABLO O=C(NC[C@@H]1CCCO1)c1ccc(-n2cc[nH+]c2)c(-n2cccc2)c1 ZINC000012088101 211289005 /nfs/dbraw/zinc/28/90/05/211289005.db2.gz SWAXGZXFVGDPNL-INIZCTEOSA-N 1 2 336.395 2.572 40 0 EFABLO COc1ncnc2c1CN(Cc1c[nH+]c(C)n1-c1ccccc1)CC2 ZINC000092807933 218169910 /nfs/dbraw/zinc/16/99/10/218169910.db2.gz PLJCUQOXNXIPNM-UHFFFAOYSA-N 1 2 335.411 2.538 40 0 EFABLO C[N@H+](Cc1ccccn1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000093331941 218216074 /nfs/dbraw/zinc/21/60/74/218216074.db2.gz WPGLHDMDYXZERW-AWEZNQCLSA-N 1 2 334.217 2.503 40 0 EFABLO C[N@@H+](Cc1ccccn1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000093331941 218216077 /nfs/dbraw/zinc/21/60/77/218216077.db2.gz WPGLHDMDYXZERW-AWEZNQCLSA-N 1 2 334.217 2.503 40 0 EFABLO COC(=O)[C@]1(F)CC[N@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093887911 218256175 /nfs/dbraw/zinc/25/61/75/218256175.db2.gz DWQNSZFRKJOAFI-AWEZNQCLSA-N 1 2 326.418 2.959 40 0 EFABLO COC(=O)[C@]1(F)CC[N@@H+](Cc2cnc(-c3cccs3)s2)C1 ZINC000093887911 218256178 /nfs/dbraw/zinc/25/61/78/218256178.db2.gz DWQNSZFRKJOAFI-AWEZNQCLSA-N 1 2 326.418 2.959 40 0 EFABLO COC(=O)c1ccc(C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)s1 ZINC000095411640 218349133 /nfs/dbraw/zinc/34/91/33/218349133.db2.gz FCGNCQRHCVLXRC-UHFFFAOYSA-N 1 2 338.473 2.615 40 0 EFABLO COC(=O)c1ccc(C[N@H+]2CCCN(C(=O)C(C)(C)C)CC2)s1 ZINC000095411640 218349136 /nfs/dbraw/zinc/34/91/36/218349136.db2.gz FCGNCQRHCVLXRC-UHFFFAOYSA-N 1 2 338.473 2.615 40 0 EFABLO C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000095432339 218374224 /nfs/dbraw/zinc/37/42/24/218374224.db2.gz ZJOYAYOGCSDAKW-OCCSQVGLSA-N 1 2 329.366 2.630 40 0 EFABLO C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000095432339 218374227 /nfs/dbraw/zinc/37/42/27/218374227.db2.gz ZJOYAYOGCSDAKW-OCCSQVGLSA-N 1 2 329.366 2.630 40 0 EFABLO c1cn(Cc2ccccc2)c(CNc2ccc[nH+]c2N2CCOCC2)n1 ZINC000095436131 218378502 /nfs/dbraw/zinc/37/85/02/218378502.db2.gz JCHKMPKOJQUTIE-UHFFFAOYSA-N 1 2 349.438 2.775 40 0 EFABLO CCn1cc[nH+]c1-c1cccc(NC(=O)c2nc(C)c(C)[nH]c2=O)c1 ZINC000095450027 218394726 /nfs/dbraw/zinc/39/47/26/218394726.db2.gz IAEKPQSUUFGSEA-UHFFFAOYSA-N 1 2 337.383 2.522 40 0 EFABLO Cc1cc2nc(CO[C@H]3CN(Cc4[nH]cc[nH+]4)C[C@H]3F)[nH]c2cc1C ZINC000096112350 218608172 /nfs/dbraw/zinc/60/81/72/218608172.db2.gz ZPDWRDXSVBTNLU-CJNGLKHVSA-N 1 2 343.406 2.642 40 0 biogenic,in-vitro EFABLO O=C(Cc1cccs1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187919 218655090 /nfs/dbraw/zinc/65/50/90/218655090.db2.gz RKAAIFCAJYKBPR-OAHLLOKOSA-N 1 2 345.468 2.572 40 0 EFABLO Cc1cc(C)n(Cc2cccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)c2)n1 ZINC000006412779 210631703 /nfs/dbraw/zinc/63/17/03/210631703.db2.gz HXRANCAJZMHZTK-UHFFFAOYSA-N 1 2 344.382 2.529 40 0 EFABLO CC[C@H](c1ccncc1)N(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000096415219 218774771 /nfs/dbraw/zinc/77/47/71/218774771.db2.gz RXZMEEVCQMHGOI-MRXNPFEDSA-N 1 2 327.432 2.835 40 0 EFABLO COc1c(C)c[nH+]c(CN(C)C(=O)c2nc(C)n3ccccc23)c1C ZINC000096420717 218785728 /nfs/dbraw/zinc/78/57/28/218785728.db2.gz SASVWUZKVNYNSZ-UHFFFAOYSA-N 1 2 338.411 2.935 40 0 EFABLO O=C(NCC[NH+]1CCOCC1)Nc1cc(-c2ccco2)ccc1F ZINC000096435494 218813278 /nfs/dbraw/zinc/81/32/78/218813278.db2.gz RSTQIBJSEFHIIQ-UHFFFAOYSA-N 1 2 333.363 2.539 40 0 EFABLO C[C@@H](CNC(=O)c1cc(N(C)C)nc2ccccc21)Cn1cc[nH+]c1 ZINC000097374624 219017987 /nfs/dbraw/zinc/01/79/87/219017987.db2.gz VNNBACBUFIKFJN-AWEZNQCLSA-N 1 2 337.427 2.563 40 0 EFABLO Clc1nc(N2CCOCC2)nc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000057345860 132199710 /nfs/dbraw/zinc/19/97/10/132199710.db2.gz MGYITOSFPXEIKV-UHFFFAOYSA-N 1 2 344.846 2.525 40 0 EFABLO Clc1nc(N2CCOCC2)nc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000057345860 132199711 /nfs/dbraw/zinc/19/97/11/132199711.db2.gz MGYITOSFPXEIKV-UHFFFAOYSA-N 1 2 344.846 2.525 40 0 EFABLO CC[C@H](c1nnnn1C(C)C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000035289918 132389415 /nfs/dbraw/zinc/38/94/15/132389415.db2.gz YMVKNNRMEIDTLC-MRXNPFEDSA-N 1 2 332.427 2.666 40 0 EFABLO CCn1nccc1C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000028237592 544434651 /nfs/dbraw/zinc/43/46/51/544434651.db2.gz NGCQUZCLDAKDGI-UHFFFAOYSA-N 1 2 332.835 2.514 40 0 EFABLO COc1ccnc(N2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)n1 ZINC000129595228 544647489 /nfs/dbraw/zinc/64/74/89/544647489.db2.gz WRUBLDWGELPJNY-UKRRQHHQSA-N 1 2 328.416 2.524 40 0 EFABLO Cc1nc(N2CCN(Cc3ncc(C(F)(F)F)s3)CC2)cc[nH+]1 ZINC000279346304 273205095 /nfs/dbraw/zinc/20/50/95/273205095.db2.gz FPLSTQYELZGRGQ-UHFFFAOYSA-N 1 2 343.378 2.583 40 0 EFABLO C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1)c1cccs1 ZINC000286851165 274286652 /nfs/dbraw/zinc/28/66/52/274286652.db2.gz NASHAAWSWYAINM-SWLSCSKDSA-N 1 2 333.457 2.869 40 0 EFABLO CC(=O)N1c2ccccc2[C@@]2([NH2+]CCc3c4cc(F)ccc4[nH]c32)C1=O ZINC000022266800 277022541 /nfs/dbraw/zinc/02/25/41/277022541.db2.gz FJCXAKQJFLWCIV-FQEVSTJZSA-N 1 2 349.365 2.589 40 0 EFABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2cccc(C)n2)c1 ZINC000257224586 277458393 /nfs/dbraw/zinc/45/83/93/277458393.db2.gz FCKUXTQGIBSTEX-GOSISDBHSA-N 1 2 348.406 2.992 40 0 EFABLO C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)Nc2cnn(C)c2)CC1 ZINC000096433862 277647393 /nfs/dbraw/zinc/64/73/93/277647393.db2.gz HMBGLAPKSQCGCN-ZDUSSCGKSA-N 1 2 347.850 2.984 40 0 EFABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc(C)nc3onc(C)c32)[nH+]1 ZINC000257199675 278615985 /nfs/dbraw/zinc/61/59/85/278615985.db2.gz AAKSCYZLVSKSRI-ZDUSSCGKSA-N 1 2 325.372 2.848 40 0 EFABLO Cc1csc2nc3n(c(=O)c12)CC[N@H+](Cc1cccc(C)n1)CC3 ZINC000019236319 279049674 /nfs/dbraw/zinc/04/96/74/279049674.db2.gz QDOGDFYRCCBIIO-UHFFFAOYSA-N 1 2 340.452 2.528 40 0 EFABLO Cc1csc2nc3n(c(=O)c12)CC[N@@H+](Cc1cccc(C)n1)CC3 ZINC000019236319 279049675 /nfs/dbraw/zinc/04/96/75/279049675.db2.gz QDOGDFYRCCBIIO-UHFFFAOYSA-N 1 2 340.452 2.528 40 0 EFABLO Clc1cnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c(Br)c1 ZINC000225595051 279296989 /nfs/dbraw/zinc/29/69/89/279296989.db2.gz OENFZPJTCNQMIL-LLVKDONJSA-N 1 2 328.641 2.948 40 0 EFABLO CCOC[C@H]1CN(C(=O)c2cscn2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045129 279751592 /nfs/dbraw/zinc/75/15/92/279751592.db2.gz OVQBPEXNIKTISK-CYBMUJFWSA-N 1 2 346.456 2.526 40 0 EFABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1ccccc1Cl ZINC000257238725 289014272 /nfs/dbraw/zinc/01/42/72/289014272.db2.gz HMGVYDRORFVICR-SFHVURJKSA-N 1 2 344.846 2.710 40 0 EFABLO CN(C)C(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1ccccc1Cl ZINC000257238725 289014275 /nfs/dbraw/zinc/01/42/75/289014275.db2.gz HMGVYDRORFVICR-SFHVURJKSA-N 1 2 344.846 2.710 40 0 EFABLO C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ncc(Br)s1 ZINC000096490313 289998637 /nfs/dbraw/zinc/99/86/37/289998637.db2.gz CUIMOOLCUHFJLU-DTWKUNHWSA-N 1 2 346.294 2.956 40 0 EFABLO Cc1ccc2[nH]c([C@H]3CCCN(c4ccc5nncn5n4)C3)[nH+]c2c1 ZINC000295050325 295261859 /nfs/dbraw/zinc/26/18/59/295261859.db2.gz OORZODYCCHXEHR-ZDUSSCGKSA-N 1 2 333.399 2.693 40 0 EFABLO O=C1CCCN1Cc1ccccc1CNC(=S)Nc1cc[nH+]cc1 ZINC000225653403 304628368 /nfs/dbraw/zinc/62/83/68/304628368.db2.gz LAFIUKGMVROWJJ-UHFFFAOYSA-N 1 2 340.452 2.691 40 0 EFABLO Cc1cc(N2CCC[C@@H]2c2cccc(CCC(=O)N(C)C)n2)nc[nH+]1 ZINC000072382856 301336678 /nfs/dbraw/zinc/33/66/78/301336678.db2.gz YAAJGNNWDYLGQG-QGZVFWFLSA-N 1 2 339.443 2.542 40 0 EFABLO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000097233333 323213952 /nfs/dbraw/zinc/21/39/52/323213952.db2.gz LMMKDHTXKXCNEX-MRVPVSSYSA-N 1 2 342.321 2.905 40 0 EFABLO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cc[nH+]cc1O ZINC000097233335 323214046 /nfs/dbraw/zinc/21/40/46/323214046.db2.gz LMMKDHTXKXCNEX-QMMMGPOBSA-N 1 2 342.321 2.905 40 0 EFABLO CC[C@H]([NH2+]Cc1nc2ccccc2o1)c1cccc(S(N)(=O)=O)c1 ZINC000097370707 323214320 /nfs/dbraw/zinc/21/43/20/323214320.db2.gz GGGWAVVKXTZRHJ-AWEZNQCLSA-N 1 2 345.424 2.716 40 0 EFABLO Cc1ccccc1NC(=O)CC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000131877167 323218843 /nfs/dbraw/zinc/21/88/43/323218843.db2.gz WOJWFQMLMJQTEZ-GOSISDBHSA-N 1 2 327.428 2.736 40 0 EFABLO Cc1ccccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000131877167 323218845 /nfs/dbraw/zinc/21/88/45/323218845.db2.gz WOJWFQMLMJQTEZ-GOSISDBHSA-N 1 2 327.428 2.736 40 0 EFABLO O=C(NCCn1cc[nH+]c1)Nc1ccc(OC(F)F)c2cccnc12 ZINC000186959633 323414999 /nfs/dbraw/zinc/41/49/99/323414999.db2.gz JMPPEMNNVAUJSH-UHFFFAOYSA-N 1 2 347.325 2.854 40 0 EFABLO COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2cc(C3CC3)[nH]n2)cc1 ZINC000636032749 451455038 /nfs/dbraw/zinc/45/50/38/451455038.db2.gz IOUVQSRLIQZGGD-INIZCTEOSA-N 1 2 326.400 2.509 40 0 EFABLO COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2cc(C3CC3)[nH]n2)cc1 ZINC000636032749 451455042 /nfs/dbraw/zinc/45/50/42/451455042.db2.gz IOUVQSRLIQZGGD-INIZCTEOSA-N 1 2 326.400 2.509 40 0 EFABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(F)c3)[nH]2)cc1OC ZINC000095533889 473221852 /nfs/dbraw/zinc/22/18/52/473221852.db2.gz BGOBPICQZNALTJ-OAHLLOKOSA-N 1 2 328.347 2.676 40 0 EFABLO COc1ccc([C@@H]([NH3+])c2n[nH]c(-c3cccc(F)c3)n2)cc1OC ZINC000095533889 473221858 /nfs/dbraw/zinc/22/18/58/473221858.db2.gz BGOBPICQZNALTJ-OAHLLOKOSA-N 1 2 328.347 2.676 40 0 EFABLO COc1ccc([C@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)cc1 ZINC000095533692 473222326 /nfs/dbraw/zinc/22/23/26/473222326.db2.gz NNLPOPAESZEZMW-INIZCTEOSA-N 1 2 328.347 2.580 40 0 EFABLO Cc1cccc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)n1 ZINC000096042239 473262617 /nfs/dbraw/zinc/26/26/17/473262617.db2.gz PBSQZNNCYQEWEP-SLFFLAALSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1cccc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)n1 ZINC000096042239 473262626 /nfs/dbraw/zinc/26/26/26/473262626.db2.gz PBSQZNNCYQEWEP-SLFFLAALSA-N 1 2 339.439 2.734 40 0 EFABLO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096041715 473263400 /nfs/dbraw/zinc/26/34/00/473263400.db2.gz GGFJBWOBXLKPSS-IPMKNSEASA-N 1 2 328.412 2.932 40 0 EFABLO Cc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)o1 ZINC000096041715 473263408 /nfs/dbraw/zinc/26/34/08/473263408.db2.gz GGFJBWOBXLKPSS-IPMKNSEASA-N 1 2 328.412 2.932 40 0 EFABLO c1csc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096048245 473270523 /nfs/dbraw/zinc/27/05/23/473270523.db2.gz QUIBTXVEQYJSMR-DOTOQJQBSA-N 1 2 331.441 2.741 40 0 EFABLO c1csc(C[N@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)n1 ZINC000096048245 473270531 /nfs/dbraw/zinc/27/05/31/473270531.db2.gz QUIBTXVEQYJSMR-DOTOQJQBSA-N 1 2 331.441 2.741 40 0 EFABLO c1csc(C[N@@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000096048246 473270911 /nfs/dbraw/zinc/27/09/11/473270911.db2.gz QUIBTXVEQYJSMR-WBVHZDCISA-N 1 2 331.441 2.741 40 0 EFABLO c1csc(C[N@H+]2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)n1 ZINC000096048246 473270918 /nfs/dbraw/zinc/27/09/18/473270918.db2.gz QUIBTXVEQYJSMR-WBVHZDCISA-N 1 2 331.441 2.741 40 0 EFABLO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@H+](Cc1ccsc1)CCO2 ZINC000096049113 473271312 /nfs/dbraw/zinc/27/13/12/473271312.db2.gz NQEXXHBXBHFHGR-SFHVURJKSA-N 1 2 346.452 2.848 40 0 EFABLO O=C(c1ccco1)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccsc1)CCO2 ZINC000096049113 473271317 /nfs/dbraw/zinc/27/13/17/473271317.db2.gz NQEXXHBXBHFHGR-SFHVURJKSA-N 1 2 346.452 2.848 40 0 EFABLO CCOC[C@@H]1C[N@H+](Cc2ccncc2)Cc2ncn(CC3CC3)c21 ZINC000096060326 473283494 /nfs/dbraw/zinc/28/34/94/473283494.db2.gz MHXZYIYEWWYKBX-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO CCOC[C@@H]1C[N@@H+](Cc2ccncc2)Cc2ncn(CC3CC3)c21 ZINC000096060326 473283501 /nfs/dbraw/zinc/28/35/01/473283501.db2.gz MHXZYIYEWWYKBX-KRWDZBQOSA-N 1 2 326.444 2.824 40 0 EFABLO c1cn2c(n1)C[N@H+](Cc1ccoc1)C[C@@H](COCc1cccnc1)C2 ZINC000096059140 473283803 /nfs/dbraw/zinc/28/38/03/473283803.db2.gz UWLPVRNUYKHDOW-GOSISDBHSA-N 1 2 338.411 2.720 40 0 EFABLO c1cn2c(n1)C[N@@H+](Cc1ccoc1)C[C@@H](COCc1cccnc1)C2 ZINC000096059140 473283808 /nfs/dbraw/zinc/28/38/08/473283808.db2.gz UWLPVRNUYKHDOW-GOSISDBHSA-N 1 2 338.411 2.720 40 0 EFABLO c1cn2c([nH+]1)CN(Cc1ccoc1)C[C@@H](COCc1cccnc1)C2 ZINC000096059140 473283813 /nfs/dbraw/zinc/28/38/13/473283813.db2.gz UWLPVRNUYKHDOW-GOSISDBHSA-N 1 2 338.411 2.720 40 0 EFABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccoc1)c1ccccc1 ZINC000096082649 473293761 /nfs/dbraw/zinc/29/37/61/473293761.db2.gz RVPKKXGQVHVCGK-IPMKNSEASA-N 1 2 340.423 2.689 40 0 EFABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccoc1)c1ccccc1 ZINC000096082649 473293768 /nfs/dbraw/zinc/29/37/68/473293768.db2.gz RVPKKXGQVHVCGK-IPMKNSEASA-N 1 2 340.423 2.689 40 0 EFABLO CN(C)c1nc(N(C)C)c(NC(=O)c2c(F)cccc2Cl)c[nH+]1 ZINC000096098754 473294735 /nfs/dbraw/zinc/29/47/35/473294735.db2.gz CDRZJKHHYUQKCK-UHFFFAOYSA-N 1 2 337.786 2.653 40 0 EFABLO CC(C)n1cc[nH+]c1CNc1ccc(C(=O)NC2CCOCC2)cc1 ZINC000124763940 473298753 /nfs/dbraw/zinc/29/87/53/473298753.db2.gz FCOVKICLHVUUJZ-UHFFFAOYSA-N 1 2 342.443 2.985 40 0 EFABLO Cc1cc(C[N@@H+]2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)no1 ZINC000096107546 473300024 /nfs/dbraw/zinc/30/00/24/473300024.db2.gz JUBJPLGFCCEURK-WMZOPIPTSA-N 1 2 329.400 2.581 40 0 EFABLO Cc1cc(C[N@H+]2CCC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)no1 ZINC000096107546 473300035 /nfs/dbraw/zinc/30/00/35/473300035.db2.gz JUBJPLGFCCEURK-WMZOPIPTSA-N 1 2 329.400 2.581 40 0 EFABLO O=C(Cc1cccs1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187918 473329153 /nfs/dbraw/zinc/32/91/53/473329153.db2.gz RKAAIFCAJYKBPR-HNNXBMFYSA-N 1 2 345.468 2.572 40 0 EFABLO c1cn2c(n1)C[N@H+](Cc1ccncc1)C[C@@H](COCc1cccnc1)C2 ZINC000096188072 473330074 /nfs/dbraw/zinc/33/00/74/473330074.db2.gz RLBNJHKHEGNZRH-LJQANCHMSA-N 1 2 349.438 2.522 40 0 EFABLO COC[C@H]1C[N@H+](Cc2ccco2)Cc2cn(CC3CCOCC3)nc21 ZINC000096198192 473334444 /nfs/dbraw/zinc/33/44/44/473334444.db2.gz TUQBVSWDZMPBCR-QGZVFWFLSA-N 1 2 345.443 2.649 40 0 EFABLO COC[C@H]1C[N@@H+](Cc2ccco2)Cc2cn(CC3CCOCC3)nc21 ZINC000096198192 473334447 /nfs/dbraw/zinc/33/44/47/473334447.db2.gz TUQBVSWDZMPBCR-QGZVFWFLSA-N 1 2 345.443 2.649 40 0 EFABLO CN(Cc1cn2c(n1)C[N@@H+](Cc1ccncc1)CC2)Cc1ccco1 ZINC000096197471 473334145 /nfs/dbraw/zinc/33/41/45/473334145.db2.gz DYDBPKCNGQWGDD-UHFFFAOYSA-N 1 2 337.427 2.519 40 0 EFABLO CN(Cc1cn2c(n1)C[N@H+](Cc1ccncc1)CC2)Cc1ccco1 ZINC000096197471 473334153 /nfs/dbraw/zinc/33/41/53/473334153.db2.gz DYDBPKCNGQWGDD-UHFFFAOYSA-N 1 2 337.427 2.519 40 0 EFABLO c1cn2c(n1)C[N@@H+](Cc1ccncc1)C[C@@H](COCc1cccnc1)C2 ZINC000096188072 473330083 /nfs/dbraw/zinc/33/00/83/473330083.db2.gz RLBNJHKHEGNZRH-LJQANCHMSA-N 1 2 349.438 2.522 40 0 EFABLO O=C(Cc1ccsc1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096208188 473343507 /nfs/dbraw/zinc/34/35/07/473343507.db2.gz AEBVIIVBRICJQC-INIZCTEOSA-N 1 2 345.468 2.572 40 0 EFABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)CCc2ccccc2C)C1 ZINC000096208022 473341942 /nfs/dbraw/zinc/34/19/42/473341942.db2.gz IEPJXLPUQCINEX-KRWDZBQOSA-N 1 2 341.455 2.819 40 0 EFABLO Cc1cccc(N2CCC[C@]3(C2)C[N@H+](Cc2cnn(C)c2)CCO3)c1 ZINC000096226244 473357132 /nfs/dbraw/zinc/35/71/32/473357132.db2.gz VGXKOHMARIZBQT-HXUWFJFHSA-N 1 2 340.471 2.600 40 0 EFABLO Cc1cccc(N2CCC[C@]3(C2)C[N@@H+](Cc2cnn(C)c2)CCO3)c1 ZINC000096226244 473357141 /nfs/dbraw/zinc/35/71/41/473357141.db2.gz VGXKOHMARIZBQT-HXUWFJFHSA-N 1 2 340.471 2.600 40 0 EFABLO c1cc(C[N@@H+]2CCCn3nnc(COc4ccccn4)c3C2)cs1 ZINC000096258995 473367671 /nfs/dbraw/zinc/36/76/71/473367671.db2.gz ZJIXUCUNIVSTDG-UHFFFAOYSA-N 1 2 341.440 2.720 40 0 EFABLO c1cc(C[N@H+]2CCCn3nnc(COc4ccccn4)c3C2)cs1 ZINC000096258995 473367679 /nfs/dbraw/zinc/36/76/79/473367679.db2.gz ZJIXUCUNIVSTDG-UHFFFAOYSA-N 1 2 341.440 2.720 40 0 EFABLO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]1O2 ZINC000096252955 473363733 /nfs/dbraw/zinc/36/37/33/473363733.db2.gz ADZHRRINDOIFIC-IXDOHACOSA-N 1 2 336.863 2.702 40 0 EFABLO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]1O2 ZINC000096252955 473363741 /nfs/dbraw/zinc/36/37/41/473363741.db2.gz ADZHRRINDOIFIC-IXDOHACOSA-N 1 2 336.863 2.702 40 0 EFABLO CCOCc1nn(CC2CC2)c2c1C[N@H+](Cc1ccccn1)CC2 ZINC000096259821 473367866 /nfs/dbraw/zinc/36/78/66/473367866.db2.gz UNWWCOAVGMFPKD-UHFFFAOYSA-N 1 2 326.444 2.783 40 0 EFABLO CCOCc1nn(CC2CC2)c2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000096259821 473367871 /nfs/dbraw/zinc/36/78/71/473367871.db2.gz UNWWCOAVGMFPKD-UHFFFAOYSA-N 1 2 326.444 2.783 40 0 EFABLO COc1cc[nH+]c(CN2CCO[C@@](C)(c3ccccc3)C2)c1OC ZINC000190698247 473366764 /nfs/dbraw/zinc/36/67/64/473366764.db2.gz BVDIIEGFRHIALF-LJQANCHMSA-N 1 2 328.412 2.846 40 0 EFABLO COc1ccnc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)c1OC ZINC000190698247 473366773 /nfs/dbraw/zinc/36/67/73/473366773.db2.gz BVDIIEGFRHIALF-LJQANCHMSA-N 1 2 328.412 2.846 40 0 EFABLO COc1ccnc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)c1OC ZINC000190698247 473366778 /nfs/dbraw/zinc/36/67/78/473366778.db2.gz BVDIIEGFRHIALF-LJQANCHMSA-N 1 2 328.412 2.846 40 0 EFABLO COCCc1noc(C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000096411368 473390913 /nfs/dbraw/zinc/39/09/13/473390913.db2.gz DRIHTYLUPXPMRH-SUMWQHHRSA-N 1 2 333.457 2.937 40 0 EFABLO COCCc1noc(C[N@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)n1 ZINC000096411368 473390917 /nfs/dbraw/zinc/39/09/17/473390917.db2.gz DRIHTYLUPXPMRH-SUMWQHHRSA-N 1 2 333.457 2.937 40 0 EFABLO O[C@@H](CNc1nc(-n2cccn2)cc[nH+]1)c1ccccc1C(F)(F)F ZINC000096412862 473391864 /nfs/dbraw/zinc/39/18/64/473391864.db2.gz HZKAJDHUCGPQER-ZDUSSCGKSA-N 1 2 349.316 2.827 40 0 EFABLO Cc1ccc(Br)cc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000000380226 471353018 /nfs/dbraw/zinc/35/30/18/471353018.db2.gz YBLAOIBPKFTVRL-UHFFFAOYSA-N 1 2 327.203 2.953 40 0 EFABLO COC(=O)c1c2c(sc1NC(=O)c1cccs1)C[N@@H+](C)CC2 ZINC000004223553 471461002 /nfs/dbraw/zinc/46/10/02/471461002.db2.gz YPEPNJVGUFAFAG-UHFFFAOYSA-N 1 2 336.438 2.836 40 0 EFABLO COC(=O)c1c2c(sc1NC(=O)c1cccs1)C[N@H+](C)CC2 ZINC000004223553 471461008 /nfs/dbraw/zinc/46/10/08/471461008.db2.gz YPEPNJVGUFAFAG-UHFFFAOYSA-N 1 2 336.438 2.836 40 0 EFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)no1 ZINC000008318277 471680724 /nfs/dbraw/zinc/68/07/24/471680724.db2.gz HCRYWUSBHBLWIL-AWEZNQCLSA-N 1 2 343.383 2.530 40 0 EFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)no1 ZINC000008318277 471680733 /nfs/dbraw/zinc/68/07/33/471680733.db2.gz HCRYWUSBHBLWIL-AWEZNQCLSA-N 1 2 343.383 2.530 40 0 EFABLO Cc1cccn2cc(CSc3nnnn3Cc3ccccc3)[nH+]c12 ZINC000008709793 471700037 /nfs/dbraw/zinc/70/00/37/471700037.db2.gz SJCRKTNTPIILIU-UHFFFAOYSA-N 1 2 336.424 2.970 40 0 EFABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@@H+](Cc1cccs1)C2 ZINC000012666950 471789206 /nfs/dbraw/zinc/78/92/06/471789206.db2.gz UJTOKGKXSYLNLR-UHFFFAOYSA-N 1 2 326.425 2.932 40 0 EFABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)CC[N@H+](Cc1cccs1)C2 ZINC000012666950 471789217 /nfs/dbraw/zinc/78/92/17/471789217.db2.gz UJTOKGKXSYLNLR-UHFFFAOYSA-N 1 2 326.425 2.932 40 0 EFABLO COc1cc2c(cc1C[NH2+][C@H](C)c1nnc3ccccn31)O[C@H](C)C2 ZINC000012921073 471805396 /nfs/dbraw/zinc/80/53/96/471805396.db2.gz AAJMXJOUIIWZOK-CHWSQXEVSA-N 1 2 338.411 2.912 40 0 EFABLO NC(=O)C1CCN(c2nc(NC3CCCC3)c3ccccc3[nH+]2)CC1 ZINC000041152245 472048334 /nfs/dbraw/zinc/04/83/34/472048334.db2.gz UAGGWRMABCEMEF-UHFFFAOYSA-N 1 2 339.443 2.686 40 0 EFABLO O=C(NCCCOCc1ccccc1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000025680858 472107110 /nfs/dbraw/zinc/10/71/10/472107110.db2.gz JZIYVBJGVOWTAH-UHFFFAOYSA-N 1 2 336.395 2.604 40 0 EFABLO Fc1cccnc1NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000084484944 472183433 /nfs/dbraw/zinc/18/34/33/472183433.db2.gz VEFCRYDCUITPLH-UHFFFAOYSA-N 1 2 331.391 2.544 40 0 EFABLO CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cccnc3)CC2)cs1 ZINC000075887564 472216042 /nfs/dbraw/zinc/21/60/42/472216042.db2.gz COZBCEHNQSTHGV-OAHLLOKOSA-N 1 2 346.500 2.953 40 0 EFABLO Cc1nc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)oc1C ZINC000075917063 472221714 /nfs/dbraw/zinc/22/17/14/472221714.db2.gz GWEWIAPSMYCCIY-UHFFFAOYSA-N 1 2 327.384 2.806 40 0 EFABLO Cc1nc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)oc1C ZINC000075917063 472221721 /nfs/dbraw/zinc/22/17/21/472221721.db2.gz GWEWIAPSMYCCIY-UHFFFAOYSA-N 1 2 327.384 2.806 40 0 EFABLO CCc1noc([C@@H](C)[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)n1 ZINC000075917309 472221809 /nfs/dbraw/zinc/22/18/09/472221809.db2.gz IKRJKSJSYVPOMI-GFCCVEGCSA-N 1 2 342.399 2.708 40 0 EFABLO CCc1noc([C@@H](C)[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)n1 ZINC000075917309 472221817 /nfs/dbraw/zinc/22/18/17/472221817.db2.gz IKRJKSJSYVPOMI-GFCCVEGCSA-N 1 2 342.399 2.708 40 0 EFABLO Cc1cccc2[nH+]c(CNC(=O)[C@H](C)Sc3ccccn3)cn21 ZINC000084924520 472227635 /nfs/dbraw/zinc/22/76/35/472227635.db2.gz MCBIIGJHHGNOFD-ZDUSSCGKSA-N 1 2 326.425 2.835 40 0 EFABLO O=C(CC1CCCCC1)N1CCCSC[C@H]1C[NH+]1CCOCC1 ZINC000085473318 472253330 /nfs/dbraw/zinc/25/33/30/472253330.db2.gz JUYGUGZFNZDGHW-QGZVFWFLSA-N 1 2 340.533 2.623 40 0 EFABLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)c1cccc(N2CCCC2)c1 ZINC000087115273 472307621 /nfs/dbraw/zinc/30/76/21/472307621.db2.gz NBXZEXQKBYMJAY-CQSZACIVSA-N 1 2 327.432 2.581 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1ccco1)c1ccccc1F ZINC000030000007 472310645 /nfs/dbraw/zinc/31/06/45/472310645.db2.gz WXYDWAWPITYZDL-KRWDZBQOSA-N 1 2 327.359 2.991 40 0 EFABLO CC(C)C[C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCCCC1=O ZINC000087275960 472320400 /nfs/dbraw/zinc/32/04/00/472320400.db2.gz UJTOVENJNGHBAJ-CVEARBPZSA-N 1 2 346.475 2.543 40 0 EFABLO CC(C)(CNC(=O)c1occc1-c1ccccc1)[NH+]1CCOCC1 ZINC000044893690 472349696 /nfs/dbraw/zinc/34/96/96/472349696.db2.gz QAWJJMQYIVFMLA-UHFFFAOYSA-N 1 2 328.412 2.787 40 0 EFABLO COC(=O)c1cccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000030946548 472355331 /nfs/dbraw/zinc/35/53/31/472355331.db2.gz PEAHDBZFQBMXPI-UHFFFAOYSA-N 1 2 335.363 2.970 40 0 EFABLO CS(=O)(=O)CC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000088560308 472374336 /nfs/dbraw/zinc/37/43/36/472374336.db2.gz HXOJEHDSWJPYPE-ZDUSSCGKSA-N 1 2 332.263 2.631 40 0 EFABLO CS(=O)(=O)CC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000088560308 472374339 /nfs/dbraw/zinc/37/43/39/472374339.db2.gz HXOJEHDSWJPYPE-ZDUSSCGKSA-N 1 2 332.263 2.631 40 0 EFABLO COc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 ZINC000057281275 472408558 /nfs/dbraw/zinc/40/85/58/472408558.db2.gz DXCRHUCLSKDCDM-IAGOWNOFSA-N 1 2 345.443 2.756 40 0 EFABLO COc1ccc([C@H]2CCC[N@H+]2CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 ZINC000057281275 472408568 /nfs/dbraw/zinc/40/85/68/472408568.db2.gz DXCRHUCLSKDCDM-IAGOWNOFSA-N 1 2 345.443 2.756 40 0 EFABLO COc1ccc([C@H]2CCC[N@@H+]2CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 ZINC000057281277 472410633 /nfs/dbraw/zinc/41/06/33/472410633.db2.gz DXCRHUCLSKDCDM-DLBZAZTESA-N 1 2 345.443 2.756 40 0 EFABLO COc1ccc([C@H]2CCC[N@H+]2CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 ZINC000057281277 472410639 /nfs/dbraw/zinc/41/06/39/472410639.db2.gz DXCRHUCLSKDCDM-DLBZAZTESA-N 1 2 345.443 2.756 40 0 EFABLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1cc(F)cc(F)c1 ZINC000032248689 472420133 /nfs/dbraw/zinc/42/01/33/472420133.db2.gz LWNRUHDJNXVNNT-GOSISDBHSA-N 1 2 346.377 2.596 40 0 EFABLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1cc(F)cc(F)c1 ZINC000032248689 472420143 /nfs/dbraw/zinc/42/01/43/472420143.db2.gz LWNRUHDJNXVNNT-GOSISDBHSA-N 1 2 346.377 2.596 40 0 EFABLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000032501799 472442604 /nfs/dbraw/zinc/44/26/04/472442604.db2.gz ICONTOROZPOAEZ-UHFFFAOYSA-N 1 2 346.862 2.648 40 0 EFABLO OC1(C(F)(F)F)CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000097095429 472443109 /nfs/dbraw/zinc/44/31/09/472443109.db2.gz UZOXHVJRPRWVNW-UHFFFAOYSA-N 1 2 328.256 2.990 40 0 EFABLO CS[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000097096477 472443942 /nfs/dbraw/zinc/44/39/42/472443942.db2.gz HEOLKGHWMZIXSI-RDJZCZTQSA-N 1 2 348.516 2.583 40 0 EFABLO Oc1cccc(C[N@@H+](Cc2nnc(C3CC3)o2)C2CCC(O)CC2)c1 ZINC000077175962 472464661 /nfs/dbraw/zinc/46/46/61/472464661.db2.gz CBXWVZURZDURHX-UHFFFAOYSA-N 1 2 343.427 2.958 40 0 EFABLO Oc1cccc(C[N@H+](Cc2nnc(C3CC3)o2)C2CCC(O)CC2)c1 ZINC000077175962 472464672 /nfs/dbraw/zinc/46/46/72/472464672.db2.gz CBXWVZURZDURHX-UHFFFAOYSA-N 1 2 343.427 2.958 40 0 EFABLO Cn1cc(C[N@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000057823031 472479179 /nfs/dbraw/zinc/47/91/79/472479179.db2.gz UWAYOAWVERZHJF-UHFFFAOYSA-N 1 2 336.395 2.746 40 0 EFABLO Cn1cc(C[N@@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000057823031 472479186 /nfs/dbraw/zinc/47/91/86/472479186.db2.gz UWAYOAWVERZHJF-UHFFFAOYSA-N 1 2 336.395 2.746 40 0 EFABLO CCCC[N@H+](CC)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000058148105 472507819 /nfs/dbraw/zinc/50/78/19/472507819.db2.gz KGEKDAJVEWUMLG-UHFFFAOYSA-N 1 2 348.415 2.743 40 0 EFABLO CCCC[N@@H+](CC)CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000058148105 472507822 /nfs/dbraw/zinc/50/78/22/472507822.db2.gz KGEKDAJVEWUMLG-UHFFFAOYSA-N 1 2 348.415 2.743 40 0 EFABLO O=C(c1ccccc1)N1CCC[C@H]1c1ccc(N2CCOCC2)[nH+]c1 ZINC000072216170 472633274 /nfs/dbraw/zinc/63/32/74/472633274.db2.gz ISALOIVCBBLZNX-SFHVURJKSA-N 1 2 337.423 2.896 40 0 EFABLO CCc1nc(CNc2ccc[nH+]c2N2CCC(CO)CC2)cs1 ZINC000091064932 472692080 /nfs/dbraw/zinc/69/20/80/472692080.db2.gz ZGMLIFWWWJYVIH-UHFFFAOYSA-N 1 2 332.473 2.921 40 0 EFABLO COc1ccc(OC)c2c1C[N@H+](Cc1ccc3c[nH]nc3c1)C[C@@H]2O ZINC000121084569 472794756 /nfs/dbraw/zinc/79/47/56/472794756.db2.gz IDHFDWNFDMQGCX-INIZCTEOSA-N 1 2 339.395 2.629 40 0 EFABLO COc1ccc(OC)c2c1C[N@@H+](Cc1ccc3c[nH]nc3c1)C[C@@H]2O ZINC000121084569 472794764 /nfs/dbraw/zinc/79/47/64/472794764.db2.gz IDHFDWNFDMQGCX-INIZCTEOSA-N 1 2 339.395 2.629 40 0 EFABLO C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Oc1ccc(F)cc1Cl ZINC000079043781 472809725 /nfs/dbraw/zinc/80/97/25/472809725.db2.gz SINVRRFTAXUIOQ-QWRGUYRKSA-N 1 2 325.771 2.648 40 0 EFABLO Cc1ccc(C[NH2+]Cc2ccccc2S(=O)(=O)NC(C)(C)C)o1 ZINC000065013828 472893700 /nfs/dbraw/zinc/89/37/00/472893700.db2.gz ATOAOIINXPKIRB-UHFFFAOYSA-N 1 2 336.457 2.955 40 0 EFABLO OC1(C[N@@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000158152803 472899677 /nfs/dbraw/zinc/89/96/77/472899677.db2.gz BOTFFAQHBLUSBK-HNNXBMFYSA-N 1 2 346.254 2.908 40 0 EFABLO OC1(C[N@H+]2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)CCOCC1 ZINC000158152803 472899682 /nfs/dbraw/zinc/89/96/82/472899682.db2.gz BOTFFAQHBLUSBK-HNNXBMFYSA-N 1 2 346.254 2.908 40 0 EFABLO COc1ccccc1OCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000065201711 472906929 /nfs/dbraw/zinc/90/69/29/472906929.db2.gz ZTBZNXLRQQUKEI-UHFFFAOYSA-N 1 2 337.379 2.576 40 0 EFABLO c1ccc(C[N@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)nc1 ZINC000107257895 472936940 /nfs/dbraw/zinc/93/69/40/472936940.db2.gz KXWOZZLIBZCRKW-BPQIPLTHSA-N 1 2 325.412 2.535 40 0 EFABLO c1ccc(C[N@@H+]2CCO[C@@H]3C[C@H](COc4ccccn4)C[C@@H]32)nc1 ZINC000107257895 472936945 /nfs/dbraw/zinc/93/69/45/472936945.db2.gz KXWOZZLIBZCRKW-BPQIPLTHSA-N 1 2 325.412 2.535 40 0 EFABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C(=O)Nc3ccccc3)[C@@H](C1)O2 ZINC000107264847 472937590 /nfs/dbraw/zinc/93/75/90/472937590.db2.gz XVZMGSLXNCZUMS-JFIYKMOQSA-N 1 2 341.411 2.519 40 0 EFABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C(=O)Nc3ccccc3)[C@@H](C1)O2 ZINC000107264847 472937595 /nfs/dbraw/zinc/93/75/95/472937595.db2.gz XVZMGSLXNCZUMS-JFIYKMOQSA-N 1 2 341.411 2.519 40 0 EFABLO Cc1cccnc1CNC(=O)NCc1[nH+]ccn1Cc1ccccc1 ZINC000074107391 472944468 /nfs/dbraw/zinc/94/44/68/472944468.db2.gz PAGINKSAZCQUDN-UHFFFAOYSA-N 1 2 335.411 2.634 40 0 EFABLO Cc1c(C(=O)OCc2ccc(-n3cc[nH+]c3)nc2)cnn1C(C)C ZINC000092628887 472948490 /nfs/dbraw/zinc/94/84/90/472948490.db2.gz LOCMMJIJVWYVOA-UHFFFAOYSA-N 1 2 325.372 2.710 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@H+](Cc3ccc[nH]3)[C@@H]2C1 ZINC000107798302 472983196 /nfs/dbraw/zinc/98/31/96/472983196.db2.gz QNTPPMVZQZGQPB-WMLDXEAASA-N 1 2 329.831 2.553 40 0 EFABLO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)[C@@H]2C1 ZINC000107798302 472983203 /nfs/dbraw/zinc/98/32/03/472983203.db2.gz QNTPPMVZQZGQPB-WMLDXEAASA-N 1 2 329.831 2.553 40 0 EFABLO CC(C)Cn1cc[nH+]c1CNC(=O)N1CCc2ccccc2CC1 ZINC000074535135 473025990 /nfs/dbraw/zinc/02/59/90/473025990.db2.gz RMYFHYHQMMISMY-UHFFFAOYSA-N 1 2 326.444 2.850 40 0 EFABLO Brc1cccc(CC[N@@H+]2CCOC3(CCOCC3)C2)c1 ZINC000136219895 473145456 /nfs/dbraw/zinc/14/54/56/473145456.db2.gz BTDBHUIXKNWMIP-UHFFFAOYSA-N 1 2 340.261 2.873 40 0 EFABLO Brc1cccc(CC[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000136219895 473145459 /nfs/dbraw/zinc/14/54/59/473145459.db2.gz BTDBHUIXKNWMIP-UHFFFAOYSA-N 1 2 340.261 2.873 40 0 EFABLO c1c(CN2CCC[C@H]2c2nnc3n2CCCCC3)[nH+]c2ccccn12 ZINC000096414810 473393770 /nfs/dbraw/zinc/39/37/70/473393770.db2.gz OAKVGEKQZZIQBN-INIZCTEOSA-N 1 2 336.443 2.989 40 0 EFABLO CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000096414825 473393981 /nfs/dbraw/zinc/39/39/81/473393981.db2.gz ZOPIAMXJPQOWID-KRWDZBQOSA-N 1 2 334.441 2.634 40 0 EFABLO CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000096414825 473393987 /nfs/dbraw/zinc/39/39/87/473393987.db2.gz ZOPIAMXJPQOWID-KRWDZBQOSA-N 1 2 334.441 2.634 40 0 EFABLO C[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccsc1 ZINC000096414799 473394587 /nfs/dbraw/zinc/39/45/87/473394587.db2.gz MEDMKYUONOFZFV-UHFFFAOYSA-N 1 2 325.455 2.662 40 0 EFABLO C[N@H+](CCOc1cccc(S(C)(=O)=O)c1)Cc1ccsc1 ZINC000096414799 473394583 /nfs/dbraw/zinc/39/45/83/473394583.db2.gz MEDMKYUONOFZFV-UHFFFAOYSA-N 1 2 325.455 2.662 40 0 EFABLO COc1cccc(NC2CCN(C(=O)CCCn3cc[nH+]c3)CC2)c1 ZINC000096421742 473400826 /nfs/dbraw/zinc/40/08/26/473400826.db2.gz ZBFYGXZZHVSLBA-UHFFFAOYSA-N 1 2 342.443 2.775 40 0 EFABLO COc1cccc([C@@H](O)CN2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000096424336 473402457 /nfs/dbraw/zinc/40/24/57/473402457.db2.gz DLKZVYJPKOMDIT-JXFKEZNVSA-N 1 2 341.455 2.502 40 0 EFABLO C[C@H](c1cccnc1)[NH+]1CCN(C[C@H](O)c2c(F)cccc2F)CC1 ZINC000096424319 473402608 /nfs/dbraw/zinc/40/26/08/473402608.db2.gz MAZUAMZEKJQILX-KDOFPFPSSA-N 1 2 347.409 2.772 40 0 EFABLO O=c1c2sccc2ncn1CCSc1[nH+]cc2ccccn21 ZINC000096423962 473403037 /nfs/dbraw/zinc/40/30/37/473403037.db2.gz LIQUCCKLQYLYSU-UHFFFAOYSA-N 1 2 328.422 2.898 40 0 EFABLO Cc1cc(NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)cc[nH+]1 ZINC000096426484 473404579 /nfs/dbraw/zinc/40/45/79/473404579.db2.gz QFQULSCBUCAQFQ-QGZVFWFLSA-N 1 2 329.375 2.541 40 0 EFABLO C[C@H](CC(=O)c1cccc(F)c1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000096426216 473404773 /nfs/dbraw/zinc/40/47/73/473404773.db2.gz CZOOSTXQPNJCMP-CYBMUJFWSA-N 1 2 343.402 2.812 40 0 EFABLO C[C@@H](CC(=O)c1cccc(F)c1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000096426215 473405270 /nfs/dbraw/zinc/40/52/70/473405270.db2.gz CZOOSTXQPNJCMP-ZDUSSCGKSA-N 1 2 343.402 2.812 40 0 EFABLO O=S(=O)(c1cccs1)N1C[C@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000096427091 473406131 /nfs/dbraw/zinc/40/61/31/473406131.db2.gz NAGYFDZFIDLKGA-CQSZACIVSA-N 1 2 345.449 2.937 40 0 EFABLO CO[C@@H](C(=O)NCc1[nH+]ccn1Cc1ccccc1)c1ccccc1 ZINC000096431596 473410099 /nfs/dbraw/zinc/41/00/99/473410099.db2.gz IVOSTCJQATYFMD-LJQANCHMSA-N 1 2 335.407 2.935 40 0 EFABLO C[C@H](NC(=O)c1cc(C(N)=O)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096432048 473410767 /nfs/dbraw/zinc/41/07/67/473410767.db2.gz WUKYPBHPOAUZLL-NSHDSACASA-N 1 2 340.408 2.524 40 0 EFABLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)c1ccc(-n2cccn2)cc1 ZINC000096435680 473414697 /nfs/dbraw/zinc/41/46/97/473414697.db2.gz SNUFHTPNYXELSW-HUUCEWRRSA-N 1 2 338.415 2.518 40 0 EFABLO O=C(NCCCn1cc[nH+]c1)Nc1ccc(F)c(Br)c1 ZINC000096435606 473415000 /nfs/dbraw/zinc/41/50/00/473415000.db2.gz UIGDNEFPYJBUOT-UHFFFAOYSA-N 1 2 341.184 2.997 40 0 EFABLO C[C@@H]1CC[C@H](CCC(=O)Nc2ccccc2C[NH+]2CCOCC2)O1 ZINC000096441051 473419911 /nfs/dbraw/zinc/41/99/11/473419911.db2.gz OWQNZYHZPMNCEY-NVXWUHKLSA-N 1 2 332.444 2.805 40 0 EFABLO CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000096441395 473420086 /nfs/dbraw/zinc/42/00/86/473420086.db2.gz JRUATXNEJSNXME-OAHLLOKOSA-N 1 2 346.406 2.612 40 0 EFABLO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000096441395 473420090 /nfs/dbraw/zinc/42/00/90/473420090.db2.gz JRUATXNEJSNXME-OAHLLOKOSA-N 1 2 346.406 2.612 40 0 EFABLO O=c1[nH]c2ccccc2cc1CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000096452010 473429273 /nfs/dbraw/zinc/42/92/73/473429273.db2.gz BACBIEIEEQBBPR-UHFFFAOYSA-N 1 2 349.434 2.552 40 0 EFABLO C[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(OCC2CC2)c(F)c1 ZINC000096468397 473435584 /nfs/dbraw/zinc/43/55/84/473435584.db2.gz PGTREYPTGGGVCQ-GFCCVEGCSA-N 1 2 346.406 2.908 40 0 EFABLO Cc1cc(N)nc(SCc2nnc(Cc3ccccc3C)o2)[nH+]1 ZINC000096471921 473437140 /nfs/dbraw/zinc/43/71/40/473437140.db2.gz LZESAZIFYZRQCA-UHFFFAOYSA-N 1 2 327.413 2.942 40 0 EFABLO CS(=O)(=O)CCC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000096483720 473441867 /nfs/dbraw/zinc/44/18/67/473441867.db2.gz SOIHNOXFKZPISO-CYBMUJFWSA-N 1 2 331.865 2.618 40 0 EFABLO CS(=O)(=O)CCC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000096483720 473441872 /nfs/dbraw/zinc/44/18/72/473441872.db2.gz SOIHNOXFKZPISO-CYBMUJFWSA-N 1 2 331.865 2.618 40 0 EFABLO Nc1nc(NC[C@H]2CCN(CC(F)(F)F)C2)[nH+]c2ccccc12 ZINC000096486622 473444982 /nfs/dbraw/zinc/44/49/82/473444982.db2.gz RAZKQGSMDXXGBP-SNVBAGLBSA-N 1 2 325.338 2.508 40 0 EFABLO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3nc(C4CC4)no3)ccc2NC1=O ZINC000096492081 473447854 /nfs/dbraw/zinc/44/78/54/473447854.db2.gz OXCSBUXDDPRVQS-HZMBPMFUSA-N 1 2 342.399 2.907 40 0 EFABLO CS(=O)(=O)C[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccccc1 ZINC000096492380 473448118 /nfs/dbraw/zinc/44/81/18/473448118.db2.gz YZAJFPRYEMFCNW-INIZCTEOSA-N 1 2 325.380 2.840 40 0 EFABLO O=C(C[NH+]1CCC(C(F)(F)F)CC1)Nc1cnc(C2CC2)nc1 ZINC000096495961 473451090 /nfs/dbraw/zinc/45/10/90/473451090.db2.gz BDSZQTJHDGVDQG-UHFFFAOYSA-N 1 2 328.338 2.567 40 0 EFABLO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000096501202 473452640 /nfs/dbraw/zinc/45/26/40/473452640.db2.gz RIZXTEVESQPUBP-UHFFFAOYSA-N 1 2 331.319 2.711 40 0 EFABLO CC(=O)c1ccc(S(C)(=O)=O)c(NCCc2cc[nH+]cc2C)c1 ZINC000096501146 473452960 /nfs/dbraw/zinc/45/29/60/473452960.db2.gz JEBWZQGOIHHVKA-UHFFFAOYSA-N 1 2 332.425 2.651 40 0 EFABLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCN(c3cc(C)ccc3C)CC2)on1 ZINC000164724039 473496854 /nfs/dbraw/zinc/49/68/54/473496854.db2.gz QQJCWTJAOCEXEV-MRXNPFEDSA-N 1 2 342.443 2.749 40 0 EFABLO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CCC(=O)OC(C)(C)C)C2 ZINC000192391367 473676711 /nfs/dbraw/zinc/67/67/11/473676711.db2.gz VAYSHEGPVZYIAM-UHFFFAOYSA-N 1 2 335.448 2.550 40 0 EFABLO Cc1cnc(N2CCN(c3cc[nH+]c(C)n3)CC2)c(Br)c1 ZINC000194327286 473880499 /nfs/dbraw/zinc/88/04/99/473880499.db2.gz NRYUTVGPUNBRHD-UHFFFAOYSA-N 1 2 348.248 2.578 40 0 EFABLO CC[C@]1(C)CN(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000187916745 473941663 /nfs/dbraw/zinc/94/16/63/473941663.db2.gz BPHNDNKZWQOQHZ-GOSISDBHSA-N 1 2 328.416 2.583 40 0 EFABLO Cc1ccsc1-c1nnc(SCC[N@@H+]2CCO[C@H](C)C2)o1 ZINC000188314141 474056479 /nfs/dbraw/zinc/05/64/79/474056479.db2.gz PRYDOJNRNVIDTJ-LLVKDONJSA-N 1 2 325.459 2.919 40 0 EFABLO Cc1ccsc1-c1nnc(SCC[N@H+]2CCO[C@H](C)C2)o1 ZINC000188314141 474056488 /nfs/dbraw/zinc/05/64/88/474056488.db2.gz PRYDOJNRNVIDTJ-LLVKDONJSA-N 1 2 325.459 2.919 40 0 EFABLO CCc1csc([C@@H]2CCCN(c3[nH+]cnc4c3cnn4C)C2)n1 ZINC000195313614 474057142 /nfs/dbraw/zinc/05/71/42/474057142.db2.gz ZHWPYESDBPQVGR-LLVKDONJSA-N 1 2 328.445 2.766 40 0 EFABLO CCCn1nnnc1C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000195539019 474091909 /nfs/dbraw/zinc/09/19/09/474091909.db2.gz OCTFKNIQAXSOEY-LSDHHAIUSA-N 1 2 333.436 2.544 40 0 EFABLO CCCn1nnnc1C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000195539019 474091919 /nfs/dbraw/zinc/09/19/19/474091919.db2.gz OCTFKNIQAXSOEY-LSDHHAIUSA-N 1 2 333.436 2.544 40 0 EFABLO OCC[C@H]1CCCCN1c1ccc(CNc2ncccc2F)c[nH+]1 ZINC000195536790 474092269 /nfs/dbraw/zinc/09/22/69/474092269.db2.gz MCUOQUSOEFZQQA-OAHLLOKOSA-N 1 2 330.407 2.969 40 0 EFABLO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000195558076 474096351 /nfs/dbraw/zinc/09/63/51/474096351.db2.gz LCCNHMUEAYWTSH-DZKIICNBSA-N 1 2 342.361 2.534 40 0 EFABLO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000195558076 474096353 /nfs/dbraw/zinc/09/63/53/474096353.db2.gz LCCNHMUEAYWTSH-DZKIICNBSA-N 1 2 342.361 2.534 40 0 EFABLO CC(C)[C@H](OC(=O)c1ccc(-n2cc[nH+]c2)nc1)c1nccn1C ZINC000195576411 474100548 /nfs/dbraw/zinc/10/05/48/474100548.db2.gz UUPNVZRSIWAYFC-HNNXBMFYSA-N 1 2 325.372 2.555 40 0 EFABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ncncc1Cl)c1cccc(F)c1 ZINC000175214348 474164226 /nfs/dbraw/zinc/16/42/26/474164226.db2.gz JPTDTHGUVLKSSZ-ZDUSSCGKSA-N 1 2 345.765 2.522 40 0 EFABLO COCc1noc(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000182487572 474189610 /nfs/dbraw/zinc/18/96/10/474189610.db2.gz ZOGLDZSGZOIKEU-LBPRGKRZSA-N 1 2 348.472 2.931 40 0 EFABLO COCc1noc(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)n1 ZINC000182487572 474189620 /nfs/dbraw/zinc/18/96/20/474189620.db2.gz ZOGLDZSGZOIKEU-LBPRGKRZSA-N 1 2 348.472 2.931 40 0 EFABLO CN(C)c1nc(N(C)C)c(NC(=O)Nc2ccc(F)cc2F)c[nH+]1 ZINC000224141282 474194834 /nfs/dbraw/zinc/19/48/34/474194834.db2.gz BTMGKMKBHVDUIL-UHFFFAOYSA-N 1 2 336.346 2.531 40 0 EFABLO Cc1ccc(C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1 ZINC000224350891 474196845 /nfs/dbraw/zinc/19/68/45/474196845.db2.gz DAIOBDNDLIHLPB-UHFFFAOYSA-N 1 2 325.416 2.704 40 0 EFABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)c1ccc(F)cc1F ZINC000224353506 474197097 /nfs/dbraw/zinc/19/70/97/474197097.db2.gz XJSIXRPOMYKUGY-UHFFFAOYSA-N 1 2 347.369 2.673 40 0 EFABLO Cc1[nH]nc(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1C ZINC000282804160 474200129 /nfs/dbraw/zinc/20/01/29/474200129.db2.gz OJJKFZPBMRIZBT-CQSZACIVSA-N 1 2 327.432 2.579 40 0 EFABLO Fc1ccc([C@@H]2CN(c3cc(N4CCCC4)[nH+]cn3)CCO2)c(F)c1 ZINC000225487787 474217925 /nfs/dbraw/zinc/21/79/25/474217925.db2.gz LDDQVXDMJRAEFV-INIZCTEOSA-N 1 2 346.381 2.933 40 0 EFABLO Fc1ccc([C@@H]2CN(c3cc(N4CCCC4)nc[nH+]3)CCO2)c(F)c1 ZINC000225487787 474217932 /nfs/dbraw/zinc/21/79/32/474217932.db2.gz LDDQVXDMJRAEFV-INIZCTEOSA-N 1 2 346.381 2.933 40 0 EFABLO CCS(=O)(=O)c1ccc(N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000225522979 474220673 /nfs/dbraw/zinc/22/06/73/474220673.db2.gz OESSEIWGAJFZJV-UHFFFAOYSA-N 1 2 345.468 2.592 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CCO3)n1 ZINC000247886752 474222164 /nfs/dbraw/zinc/22/21/64/474222164.db2.gz UDIPVOJJPGZESV-KRWDZBQOSA-N 1 2 325.412 2.597 40 0 EFABLO COC[C@H]1CN(C(=O)CCc2ccccc2Cl)Cc2c[nH+]cn21 ZINC000247887449 474222604 /nfs/dbraw/zinc/22/26/04/474222604.db2.gz RYWRKRKWTMZMCU-OAHLLOKOSA-N 1 2 333.819 2.699 40 0 EFABLO Nc1c(F)cc(Cl)cc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000225555160 474223425 /nfs/dbraw/zinc/22/34/25/474223425.db2.gz AARWYOACHYIYKY-UHFFFAOYSA-N 1 2 332.766 2.682 40 0 EFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CCO3)n1 ZINC000247901738 474224182 /nfs/dbraw/zinc/22/41/82/474224182.db2.gz ZJSSLKIHIWRIDU-QGZVFWFLSA-N 1 2 325.412 2.597 40 0 EFABLO C[C@H](C[C@H](O)c1cccs1)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000225562762 474225350 /nfs/dbraw/zinc/22/53/50/474225350.db2.gz LPTLAGMAHDNYNW-YPMHNXCESA-N 1 2 346.443 2.653 40 0 EFABLO c1cc(CN2Cc3c[nH+]cn3[C@H](COc3ccccn3)C2)cs1 ZINC000247950955 474231892 /nfs/dbraw/zinc/23/18/92/474231892.db2.gz KGRJTTBWSWKCOM-INIZCTEOSA-N 1 2 326.425 2.976 40 0 EFABLO O=C1CCCN1CC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000248008131 474245041 /nfs/dbraw/zinc/24/50/41/474245041.db2.gz ULLJQPWHASGRTJ-INIZCTEOSA-N 1 2 330.457 2.514 40 0 EFABLO O=C1CCCN1CC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000248008131 474245045 /nfs/dbraw/zinc/24/50/45/474245045.db2.gz ULLJQPWHASGRTJ-INIZCTEOSA-N 1 2 330.457 2.514 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](OCc1cccnc1)CCO2 ZINC000248033962 474248445 /nfs/dbraw/zinc/24/84/45/474248445.db2.gz MSYQIKJYWPSCSY-MRXNPFEDSA-N 1 2 345.468 2.797 40 0 EFABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2COc1cccnc1 ZINC000248142843 474269067 /nfs/dbraw/zinc/26/90/67/474269067.db2.gz QSTGYMVACKOTGD-KRWDZBQOSA-N 1 2 340.423 2.760 40 0 EFABLO O=C(NCCCNc1cccc[nH+]1)N1CCC=C(Br)C1 ZINC000239366865 474545577 /nfs/dbraw/zinc/54/55/77/474545577.db2.gz AGFJOLZDJJFSRQ-UHFFFAOYSA-N 1 2 339.237 2.578 40 0 EFABLO Cc1ccc(C2=NO[C@@H](CNc3[nH+]cnc4c3cnn4C)C2)cc1C ZINC000240912244 474551545 /nfs/dbraw/zinc/55/15/45/474551545.db2.gz IWUCFOKEJUMXGJ-CQSZACIVSA-N 1 2 336.399 2.585 40 0 EFABLO COCc1nsc(N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)n1 ZINC000267333050 474650762 /nfs/dbraw/zinc/65/07/62/474650762.db2.gz CDLGRBAWXSZJCA-ZDUSSCGKSA-N 1 2 348.472 2.576 40 0 EFABLO C[C@@H](Sc1ccccc1C(=O)Nc1cccc2[nH+]ccn21)C(N)=O ZINC000253396851 474734689 /nfs/dbraw/zinc/73/46/89/474734689.db2.gz WJVUAHQZKYWMMW-LLVKDONJSA-N 1 2 340.408 2.553 40 0 EFABLO Fc1cccc([C@H]2CCCN2c2cc(N3CCOCC3)[nH+]cn2)c1 ZINC000253417824 474744372 /nfs/dbraw/zinc/74/43/72/474744372.db2.gz JAVFFCQSJABGBF-MRXNPFEDSA-N 1 2 328.391 2.794 40 0 EFABLO Fc1cccc([C@H]2CCCN2c2cc(N3CCOCC3)nc[nH+]2)c1 ZINC000253417824 474744377 /nfs/dbraw/zinc/74/43/77/474744377.db2.gz JAVFFCQSJABGBF-MRXNPFEDSA-N 1 2 328.391 2.794 40 0 EFABLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3nnc(C)s3)ccc2NC1=O ZINC000253417716 474744636 /nfs/dbraw/zinc/74/46/36/474744636.db2.gz ALQBMHDFMNTWEI-NOZJJQNGSA-N 1 2 332.429 2.807 40 0 EFABLO Nc1[nH+]cnc(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1Cl ZINC000253418081 474745420 /nfs/dbraw/zinc/74/54/20/474745420.db2.gz JKSOKASOTXWLDR-OLZOCXBDSA-N 1 2 336.798 2.944 40 0 EFABLO Nc1nc[nH+]c(N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)c1Cl ZINC000253418081 474745431 /nfs/dbraw/zinc/74/54/31/474745431.db2.gz JKSOKASOTXWLDR-OLZOCXBDSA-N 1 2 336.798 2.944 40 0 EFABLO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1Cc1nnc2n1CCOC2 ZINC000253417440 474745448 /nfs/dbraw/zinc/74/54/48/474745448.db2.gz OEEBTQPBLFASNZ-GOEBONIOSA-N 1 2 342.443 2.790 40 0 EFABLO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1Cc1nnc2n1CCOC2 ZINC000253417440 474745458 /nfs/dbraw/zinc/74/54/58/474745458.db2.gz OEEBTQPBLFASNZ-GOEBONIOSA-N 1 2 342.443 2.790 40 0 EFABLO Cn1c[nH+]cc1CCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000253430204 474754370 /nfs/dbraw/zinc/75/43/70/474754370.db2.gz KCBUBABMINCQHW-INIZCTEOSA-N 1 2 333.819 2.686 40 0 EFABLO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ncnn3C(C)C)ccc2NC1=O ZINC000253430607 474756171 /nfs/dbraw/zinc/75/61/71/474756171.db2.gz FLELBLJFYXUVBT-IUODEOHRSA-N 1 2 343.431 2.819 40 0 EFABLO Clc1ccccc1C[NH+]1CCN(c2nccn3ccnc23)CC1 ZINC000306123525 474805628 /nfs/dbraw/zinc/80/56/28/474805628.db2.gz APJIOTONGJQCTK-UHFFFAOYSA-N 1 2 327.819 2.705 40 0 EFABLO CCn1cc(C[N@H+]2Cc3cccn3C[C@H](Oc3ccccn3)C2)cn1 ZINC000306131138 474810222 /nfs/dbraw/zinc/81/02/22/474810222.db2.gz JXRQIWUSPCARBD-GOSISDBHSA-N 1 2 337.427 2.563 40 0 EFABLO CCn1cc(C[N@@H+]2Cc3cccn3C[C@H](Oc3ccccn3)C2)cn1 ZINC000306131138 474810232 /nfs/dbraw/zinc/81/02/32/474810232.db2.gz JXRQIWUSPCARBD-GOSISDBHSA-N 1 2 337.427 2.563 40 0 EFABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@@H+]2Cc2ccc(C)nc2)cc1 ZINC000257245549 474928144 /nfs/dbraw/zinc/92/81/44/474928144.db2.gz IQBNFDOJIRKBNI-HXUWFJFHSA-N 1 2 339.439 2.804 40 0 EFABLO COc1ccc([C@H]2CN(C(C)=O)CC[N@H+]2Cc2ccc(C)nc2)cc1 ZINC000257245549 474928147 /nfs/dbraw/zinc/92/81/47/474928147.db2.gz IQBNFDOJIRKBNI-HXUWFJFHSA-N 1 2 339.439 2.804 40 0 EFABLO Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCCN3c3cc[nH+]c(C)n3)n2)n1 ZINC000257290175 474935176 /nfs/dbraw/zinc/93/51/76/474935176.db2.gz QBWSYWBRTLCFMH-HNNXBMFYSA-N 1 2 335.415 2.923 40 0 EFABLO Cc1c[nH]c(-c2cc([C@@H]3CCCN(c4cc(C)[nH+]cn4)C3)nc(C)n2)n1 ZINC000257290469 474935237 /nfs/dbraw/zinc/93/52/37/474935237.db2.gz QDCDMFATPRPCCS-OAHLLOKOSA-N 1 2 349.442 2.966 40 0 EFABLO CCCCc1[nH]c(CN2CCO[C@@H](CCc3cc(C)ncn3)C2)c[nH+]1 ZINC000257299974 474941315 /nfs/dbraw/zinc/94/13/15/474941315.db2.gz RSJDVXQNAUEKRN-SFHVURJKSA-N 1 2 343.475 2.684 40 0 EFABLO CCCCc1[nH]cc(CN2CCO[C@@H](CCc3cc(C)ncn3)C2)[nH+]1 ZINC000257299974 474941325 /nfs/dbraw/zinc/94/13/25/474941325.db2.gz RSJDVXQNAUEKRN-SFHVURJKSA-N 1 2 343.475 2.684 40 0 EFABLO CN(C)c1nc(C2CC[NH+](Cc3cscn3)CC2)cn2nccc12 ZINC000257303039 474943008 /nfs/dbraw/zinc/94/30/08/474943008.db2.gz SFNLNVJUZYCNNU-UHFFFAOYSA-N 1 2 342.472 2.631 40 0 EFABLO Cc1cccc2nc(C(=O)N(C)[C@@H]3CCCN(c4cccc[nH+]4)C3)cn21 ZINC000257309296 474946009 /nfs/dbraw/zinc/94/60/09/474946009.db2.gz UAIZEFUUAGKZSY-MRXNPFEDSA-N 1 2 349.438 2.779 40 0 EFABLO CCCc1ncc(C[NH+]2CC3(C2)CO[C@H](Cc2cccnc2)C3)cn1 ZINC000257306848 474946109 /nfs/dbraw/zinc/94/61/09/474946109.db2.gz SWGSIQBYZHVFQC-GOSISDBHSA-N 1 2 338.455 2.658 40 0 EFABLO CCc1noc(C)c1C(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257308488 474946204 /nfs/dbraw/zinc/94/62/04/474946204.db2.gz TWWUIKVDUFHBDJ-CQSZACIVSA-N 1 2 328.416 2.681 40 0 EFABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc(OC)nc3)C2)cc[nH+]1 ZINC000257312849 474947642 /nfs/dbraw/zinc/94/76/42/474947642.db2.gz UPUSEGVMWFCJOT-OAHLLOKOSA-N 1 2 326.400 2.547 40 0 EFABLO O=C(CCc1cccnc1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257313160 474948297 /nfs/dbraw/zinc/94/82/97/474948297.db2.gz URFZLLGAXODRAX-GOSISDBHSA-N 1 2 332.407 2.994 40 0 EFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cc3sc(C)nc3C)C2)[nH+]1 ZINC000257314563 474950108 /nfs/dbraw/zinc/95/01/08/474950108.db2.gz UXMIKSDKNJTRBN-AWEZNQCLSA-N 1 2 332.473 2.751 40 0 EFABLO Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)[nH+]1 ZINC000257321860 474952968 /nfs/dbraw/zinc/95/29/68/474952968.db2.gz WDPGAZWJWJVGDU-CYBMUJFWSA-N 1 2 327.356 2.522 40 0 EFABLO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@@H+]1Cc1csc(C)n1 ZINC000257324799 474955483 /nfs/dbraw/zinc/95/54/83/474955483.db2.gz WQGGFSPYYHJEQE-MRXNPFEDSA-N 1 2 345.472 2.523 40 0 EFABLO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@H+]1Cc1csc(C)n1 ZINC000257324799 474955488 /nfs/dbraw/zinc/95/54/88/474955488.db2.gz WQGGFSPYYHJEQE-MRXNPFEDSA-N 1 2 345.472 2.523 40 0 EFABLO Cc1cc(N2CCC[C@](C)(C(=O)NCc3ccccc3F)C2)nc[nH+]1 ZINC000257333839 474960122 /nfs/dbraw/zinc/96/01/22/474960122.db2.gz YDHSAPPVDPBEMA-IBGZPJMESA-N 1 2 342.418 2.847 40 0 EFABLO Cc1c[nH]c(-c2cnc([C@@H]3CCC[N@@H+]3Cc3cscn3)cn2)n1 ZINC000257343755 474964673 /nfs/dbraw/zinc/96/46/73/474964673.db2.gz ZUGXDCLMPUAERK-HNNXBMFYSA-N 1 2 326.429 2.969 40 0 EFABLO Cc1c[nH]c(-c2cnc([C@@H]3CCC[N@H+]3Cc3cscn3)cn2)n1 ZINC000257343755 474964675 /nfs/dbraw/zinc/96/46/75/474964675.db2.gz ZUGXDCLMPUAERK-HNNXBMFYSA-N 1 2 326.429 2.969 40 0 EFABLO Cc1nc(C[N@H+]2CCOC[C@H](Cc3ccc4c(ccn4C)c3)C2)no1 ZINC000257343114 474965037 /nfs/dbraw/zinc/96/50/37/474965037.db2.gz ZRNFVMOPRQYOLK-MRXNPFEDSA-N 1 2 340.427 2.561 40 0 EFABLO Cc1nc(C[N@@H+]2CCOC[C@H](Cc3ccc4c(ccn4C)c3)C2)no1 ZINC000257343114 474965047 /nfs/dbraw/zinc/96/50/47/474965047.db2.gz ZRNFVMOPRQYOLK-MRXNPFEDSA-N 1 2 340.427 2.561 40 0 EFABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cnccn3)C2)c2cc(F)ccc21 ZINC000257344734 474965469 /nfs/dbraw/zinc/96/54/69/474965469.db2.gz ZYLZZPNDLOJIJC-GOSISDBHSA-N 1 2 326.375 2.681 40 0 EFABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cnccn3)C2)c2cc(F)ccc21 ZINC000257344734 474965477 /nfs/dbraw/zinc/96/54/77/474965477.db2.gz ZYLZZPNDLOJIJC-GOSISDBHSA-N 1 2 326.375 2.681 40 0 EFABLO Cn1cc[nH+]c1[C@H]1N(C(=O)NCc2noc3c2CCCC3)CC1(C)C ZINC000296644636 475409420 /nfs/dbraw/zinc/40/94/20/475409420.db2.gz ADTWGOHGMZVVJJ-OAHLLOKOSA-N 1 2 343.431 2.580 40 0 EFABLO Cc1nc(C)c(C(=O)N2CC([N@@H+]3CCc4sccc4C3)C2)s1 ZINC000390828569 476802198 /nfs/dbraw/zinc/80/21/98/476802198.db2.gz SAEDQNHLJFWHHN-UHFFFAOYSA-N 1 2 333.482 2.704 40 0 EFABLO Cc1nc(C)c(C(=O)N2CC([N@H+]3CCc4sccc4C3)C2)s1 ZINC000390828569 476802205 /nfs/dbraw/zinc/80/22/05/476802205.db2.gz SAEDQNHLJFWHHN-UHFFFAOYSA-N 1 2 333.482 2.704 40 0 EFABLO O=S(=O)(CC[N@H+]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000390834026 476804517 /nfs/dbraw/zinc/80/45/17/476804517.db2.gz QKSDTINHJVHZFE-AWEZNQCLSA-N 1 2 335.391 2.876 40 0 EFABLO O=S(=O)(CC[N@@H+]1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000390834026 476804524 /nfs/dbraw/zinc/80/45/24/476804524.db2.gz QKSDTINHJVHZFE-AWEZNQCLSA-N 1 2 335.391 2.876 40 0 EFABLO COc1cccc2c1CC[C@H]2NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000366027887 476824417 /nfs/dbraw/zinc/82/44/17/476824417.db2.gz CODHWTLAUOTNBG-XJKSGUPXSA-N 1 2 340.427 2.995 40 0 EFABLO COC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[N@H+](C)C2 ZINC000408576431 476968057 /nfs/dbraw/zinc/96/80/57/476968057.db2.gz UTDAUBLKYPHDDY-UHFFFAOYSA-N 1 2 348.399 2.914 40 0 EFABLO COC(=O)c1c(NC(=O)c2ccccc2F)sc2c1CC[N@@H+](C)C2 ZINC000408576431 476968064 /nfs/dbraw/zinc/96/80/64/476968064.db2.gz UTDAUBLKYPHDDY-UHFFFAOYSA-N 1 2 348.399 2.914 40 0 EFABLO C[C@@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1Cc1ccccn1 ZINC000585097120 479280751 /nfs/dbraw/zinc/28/07/51/479280751.db2.gz FWWLMRUDTWVOSO-MRXNPFEDSA-N 1 2 349.438 2.871 40 0 EFABLO COCCc1c[nH+]c2n1CCN(C(=O)Cc1ccc(C)cc1)[C@@H]2C ZINC000585098514 479281183 /nfs/dbraw/zinc/28/11/83/479281183.db2.gz ULDSISGJAFEMQI-OAHLLOKOSA-N 1 2 327.428 2.526 40 0 EFABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3CC[C@H]2COCC2CC2)c(C)o1 ZINC000585098609 479282641 /nfs/dbraw/zinc/28/26/41/479282641.db2.gz ZPTWMENKSGXXJA-INIZCTEOSA-N 1 2 343.427 2.934 40 0 EFABLO O=C(NC[C@H]1CCC2(C[NH+](Cc3cccs3)C2)OC1)N1CCCC1 ZINC000585104012 479284903 /nfs/dbraw/zinc/28/49/03/479284903.db2.gz FOPLBJRXQXNZTJ-OAHLLOKOSA-N 1 2 349.500 2.535 40 0 EFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](Oc1ccccn1)CCO2 ZINC000585105258 479285695 /nfs/dbraw/zinc/28/56/95/479285695.db2.gz RQAGEZLLGAULGF-AWEZNQCLSA-N 1 2 331.441 2.659 40 0 EFABLO Cc1cccc(CO[C@H]2CCOC3(C[NH+](Cc4ccco4)C3)C2)n1 ZINC000585105505 479285838 /nfs/dbraw/zinc/28/58/38/479285838.db2.gz YIZKYOQQXVNTNC-KRWDZBQOSA-N 1 2 328.412 2.933 40 0 EFABLO COCc1ccccc1-c1c[nH+]c2n1CCN(C(=O)[C@@H]1C[C@@H]1C)CC2 ZINC000585111198 479287210 /nfs/dbraw/zinc/28/72/10/479287210.db2.gz ISHHBEYVDBUAOP-WMLDXEAASA-N 1 2 339.439 2.737 40 0 EFABLO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@H+](Cc2ncccn2)[C@H]1C ZINC000585141587 479298880 /nfs/dbraw/zinc/29/88/80/479298880.db2.gz DDVLYRWZHZUYFE-ILXRZTDVSA-N 1 2 334.464 2.990 40 0 EFABLO C[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](Cc2ncccn2)[C@H]1C ZINC000585141587 479298881 /nfs/dbraw/zinc/29/88/81/479298881.db2.gz DDVLYRWZHZUYFE-ILXRZTDVSA-N 1 2 334.464 2.990 40 0 EFABLO CO[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1Cc1ccccc1F ZINC000585277195 479306164 /nfs/dbraw/zinc/30/61/64/479306164.db2.gz NCQQXWLDAZZORY-ROUUACIJSA-N 1 2 345.418 2.661 40 0 EFABLO CO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1Cc1ccccc1F ZINC000585280182 479308235 /nfs/dbraw/zinc/30/82/35/479308235.db2.gz ZFUAIBRALVOIJM-SJLPKXTDSA-N 1 2 345.418 2.519 40 0 EFABLO CO[C@H]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H]1Cc1ccccc1 ZINC000585288483 479309738 /nfs/dbraw/zinc/30/97/38/479309738.db2.gz BNJJMPJBNWHGTO-VCVRMXLYSA-N 1 2 325.412 2.672 40 0 EFABLO COC(=O)c1ccccc1CC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000187014945 534289305 /nfs/dbraw/zinc/28/93/05/534289305.db2.gz GKKPCGMWGYJWCB-HNNXBMFYSA-N 1 2 332.425 2.546 40 0 EFABLO COC(=O)c1ccccc1CC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000187014945 534289311 /nfs/dbraw/zinc/28/93/11/534289311.db2.gz GKKPCGMWGYJWCB-HNNXBMFYSA-N 1 2 332.425 2.546 40 0 EFABLO O=C(COc1ccccc1)NC[C@H](c1ccco1)[NH+]1CCSCC1 ZINC000253394322 526984665 /nfs/dbraw/zinc/98/46/65/526984665.db2.gz AYNIBNYUZCCLGS-MRXNPFEDSA-N 1 2 346.452 2.565 40 0 EFABLO CCOC(=O)c1csc(C2CC[NH+](Cc3cc(C)on3)CC2)n1 ZINC000191575967 528333437 /nfs/dbraw/zinc/33/34/37/528333437.db2.gz CXBKLJCNHXEZQF-UHFFFAOYSA-N 1 2 335.429 2.996 40 0 EFABLO CC(C)Cn1ccnc1CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000153922350 528728524 /nfs/dbraw/zinc/72/85/24/528728524.db2.gz CWHOEDYZWWUMRT-JKSUJKDBSA-N 1 2 344.463 2.528 40 0 EFABLO CCC[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccn1 ZINC000225799674 535316477 /nfs/dbraw/zinc/31/64/77/535316477.db2.gz VBCZVOKOXNLSLF-MRXNPFEDSA-N 1 2 335.411 2.862 40 0 EFABLO CCCc1nnsc1C(=O)N1CCC[C@H]1c1cc[nH+]c(NC)c1 ZINC000257264344 535552323 /nfs/dbraw/zinc/55/23/23/535552323.db2.gz LTZHUFNOPPYSHJ-ZDUSSCGKSA-N 1 2 331.445 2.905 40 0 EFABLO Nc1nc2ccccc2cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000252501720 1287942270 /nfs/dbraw/zinc/94/22/70/1287942270.db2.gz UILDWKWPZKYFAU-UHFFFAOYSA-N 1 2 346.434 2.775 40 0 EFABLO C[C@@H]1Cc2c[nH+]ccc2N1S(=O)(=O)c1occc1Br ZINC000903633657 1312976308 /nfs/dbraw/zinc/97/63/08/1312976308.db2.gz BDNDTWZZIMSABW-MRVPVSSYSA-N 1 2 343.202 2.577 40 0 EFABLO Cc1cc(C(=O)N2CC[NH+](C)CC2)c(Nc2ccccc2N)s1 ZINC000137336061 1417395537 /nfs/dbraw/zinc/39/55/37/1417395537.db2.gz NVVVXCDSGMPBCB-UHFFFAOYSA-N 1 2 330.457 2.770 40 0 EFABLO Cn1ncc2c1nc[nH+]c2N[C@@H](CO)c1ccccc1C(F)(F)F ZINC000896649174 723418861 /nfs/dbraw/zinc/41/88/61/723418861.db2.gz AZIMBNPEURGPLO-LBPRGKRZSA-N 1 2 337.305 2.528 40 0 EFABLO